20 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 class _SwigNonDynamicMeta(type):
53 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
54 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
59 class IMP_CORE_SwigPyIterator(object):
60 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
62 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
64 def __init__(self, *args, **kwargs):
65 raise AttributeError(
"No constructor defined - class is abstract")
67 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
70 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
71 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
74 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
75 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
78 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
79 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
81 def distance(self, x):
82 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
83 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
86 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
87 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
90 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
91 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
94 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
95 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
98 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
99 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
101 def advance(self, n):
102 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
103 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
106 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
107 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
110 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
111 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
113 def __iadd__(self, n):
114 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
115 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
117 def __isub__(self, n):
118 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
119 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
121 def __add__(self, n):
122 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
123 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
125 def __sub__(self, *args):
127 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
128 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
130 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
135 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
142 IMP_DEBUG = _IMP_core.IMP_DEBUG
144 IMP_RELEASE = _IMP_core.IMP_RELEASE
146 IMP_SILENT = _IMP_core.IMP_SILENT
148 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
150 IMP_TERSE = _IMP_core.IMP_TERSE
152 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
154 IMP_MEMORY = _IMP_core.IMP_MEMORY
156 IMP_NONE = _IMP_core.IMP_NONE
158 IMP_USAGE = _IMP_core.IMP_USAGE
160 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
162 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
164 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
166 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
168 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
170 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
172 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
174 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
176 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
178 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
180 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
182 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
184 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
188 class _DirectorObjects:
189 """@internal Simple class to keep references to director objects
190 to prevent premature deletion."""
193 def register(self, obj):
194 """Take a reference to a director object; will only work for
195 refcounted C++ classes"""
196 if hasattr(obj,
'get_ref_count'):
197 self._objects.append(obj)
199 """Only drop our reference and allow cleanup by Python if no other
200 Python references exist (we hold 3 references: one in self._objects,
201 one in x, and one in the argument list for getrefcount) *and* no
202 other C++ references exist (the Python object always holds one)"""
203 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
204 or x.get_ref_count() > 1]
208 def get_object_count(self):
209 """Get number of director objects (useful for testing only)"""
210 return len(self._objects)
211 _director_objects = _DirectorObjects()
213 class _ostream(object):
214 r"""Proxy of C++ std::ostream class."""
216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
218 def __init__(self, *args, **kwargs):
219 raise AttributeError(
"No constructor defined")
220 __repr__ = _swig_repr
222 def write(self, osa_buf):
223 r"""write(_ostream self, char const * osa_buf)"""
224 return _IMP_core._ostream_write(self, osa_buf)
227 _IMP_core._ostream_swigregister(_ostream)
228 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
231 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
233 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
235 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
237 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
239 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
242 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
244 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
248 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
250 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
252 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
254 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
256 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
259 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
261 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
265 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
267 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
269 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
271 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
274 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
276 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
278 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
284 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
286 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
288 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
291 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
293 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
295 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
297 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
299 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
301 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
303 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
305 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
307 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
310 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
312 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
313 __repr__ = _swig_repr
315 def __init__(self, *args):
316 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
317 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
319 def get_version_info(self):
320 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
321 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
322 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
325 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
327 _object_types.append(
"MonteCarloMover")
330 def _object_cast_to_MonteCarloMover(o):
331 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
332 return _IMP_core._object_cast_to_MonteCarloMover(o)
334 MonteCarloMoverResults=list
335 _plural_types.append(
"MonteCarloMoverResults")
336 _value_types.append(
"MonteCarloMoverResult")
339 _object_types.append(
"AngleRestraint")
342 def _object_cast_to_AngleRestraint(o):
343 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
344 return _IMP_core._object_cast_to_AngleRestraint(o)
346 _object_types.append(
"AngleTripletScore")
349 def _object_cast_to_AngleTripletScore(o):
350 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
351 return _IMP_core._object_cast_to_AngleTripletScore(o)
353 _object_types.append(
"DihedralQuadScore")
356 def _object_cast_to_DihedralQuadScore(o):
357 r"""_object_cast_to_DihedralQuadScore(Object o) -> DihedralQuadScore"""
358 return _IMP_core._object_cast_to_DihedralQuadScore(o)
360 _object_types.append(
"AttributeSingletonScore")
363 def _object_cast_to_AttributeSingletonScore(o):
364 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
365 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
367 _object_types.append(
"BallMover")
370 def _object_cast_to_BallMover(o):
371 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
372 return _IMP_core._object_cast_to_BallMover(o)
374 _object_types.append(
"SerialMover")
377 def _object_cast_to_SerialMover(o):
378 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
379 return _IMP_core._object_cast_to_SerialMover(o)
381 _object_types.append(
"SubsetMover")
384 def _object_cast_to_SubsetMover(o):
385 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
386 return _IMP_core._object_cast_to_SubsetMover(o)
388 _object_types.append(
"DirectionMover")
391 def _object_cast_to_DirectionMover(o):
392 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
393 return _IMP_core._object_cast_to_DirectionMover(o)
395 _object_types.append(
"SurfaceMover")
398 def _object_cast_to_SurfaceMover(o):
399 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
400 return _IMP_core._object_cast_to_SurfaceMover(o)
402 _object_types.append(
"BoundingBox3DSingletonScore")
405 def _object_cast_to_BoundingBox3DSingletonScore(o):
406 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
407 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
409 _object_types.append(
"BoundingSphere3DSingletonScore")
412 def _object_cast_to_BoundingSphere3DSingletonScore(o):
413 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
416 _object_types.append(
"BoxSweepClosePairsFinder")
419 def _object_cast_to_BoxSweepClosePairsFinder(o):
420 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
421 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
423 _object_types.append(
"NearestNeighborsClosePairsFinder")
426 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
427 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
428 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
430 _object_types.append(
"CentroidOfRefined")
433 def _object_cast_to_CentroidOfRefined(o):
434 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
435 return _IMP_core._object_cast_to_CentroidOfRefined(o)
437 _object_types.append(
"ChecksScoreState")
440 def _object_cast_to_ChecksScoreState(o):
441 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
442 return _IMP_core._object_cast_to_ChecksScoreState(o)
444 _object_types.append(
"ChildrenRefiner")
447 def _object_cast_to_ChildrenRefiner(o):
448 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
449 return _IMP_core._object_cast_to_ChildrenRefiner(o)
451 _object_types.append(
"ClosePairsFinder")
454 def _object_cast_to_ClosePairsFinder(o):
455 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
456 return _IMP_core._object_cast_to_ClosePairsFinder(o)
458 _object_types.append(
"ClosePairsPairScore")
461 def _object_cast_to_ClosePairsPairScore(o):
462 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
463 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
465 _object_types.append(
"ClosedCubicSpline")
468 def _object_cast_to_ClosedCubicSpline(o):
469 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
470 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
472 _object_types.append(
"ConjugateGradients")
475 def _object_cast_to_ConjugateGradients(o):
476 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
477 return _IMP_core._object_cast_to_ConjugateGradients(o)
479 _object_types.append(
"ConnectivityRestraint")
482 def _object_cast_to_ConnectivityRestraint(o):
483 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
484 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
486 _object_types.append(
"ConstantRestraint")
489 def _object_cast_to_ConstantRestraint(o):
490 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
491 return _IMP_core._object_cast_to_ConstantRestraint(o)
493 _object_types.append(
"Cosine")
496 def _object_cast_to_Cosine(o):
497 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
498 return _IMP_core._object_cast_to_Cosine(o)
500 _object_types.append(
"CoverRefined")
503 def _object_cast_to_CoverRefined(o):
504 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
505 return _IMP_core._object_cast_to_CoverRefined(o)
507 _object_types.append(
"DerivativesFromRefined")
510 def _object_cast_to_DerivativesFromRefined(o):
511 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
512 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
514 _object_types.append(
"DerivativesToRefined")
517 def _object_cast_to_DerivativesToRefined(o):
518 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
519 return _IMP_core._object_cast_to_DerivativesToRefined(o)
521 _object_types.append(
"WeightedDerivativesToRefined")
524 def _object_cast_to_WeightedDerivativesToRefined(o):
525 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
526 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
528 _object_types.append(
"DiameterRestraint")
531 def _object_cast_to_DiameterRestraint(o):
532 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
533 return _IMP_core._object_cast_to_DiameterRestraint(o)
535 _object_types.append(
"DihedralRestraint")
538 def _object_cast_to_DihedralRestraint(o):
539 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
540 return _IMP_core._object_cast_to_DihedralRestraint(o)
542 _object_types.append(
"DistanceRestraint")
545 def _object_cast_to_DistanceRestraint(o):
546 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
547 return _IMP_core._object_cast_to_DistanceRestraint(o)
549 _object_types.append(
"DistanceToSingletonScore")
552 def _object_cast_to_DistanceToSingletonScore(o):
553 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
554 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
556 _object_types.append(
"ExcludedVolumeRestraint")
559 def _object_cast_to_ExcludedVolumeRestraint(o):
560 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
561 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
563 _object_types.append(
"FixedRefiner")
566 def _object_cast_to_FixedRefiner(o):
567 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
568 return _IMP_core._object_cast_to_FixedRefiner(o)
570 _object_types.append(
"GridClosePairsFinder")
573 def _object_cast_to_GridClosePairsFinder(o):
574 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
575 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
577 _object_types.append(
"Harmonic")
580 def _object_cast_to_Harmonic(o):
581 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
582 return _IMP_core._object_cast_to_Harmonic(o)
584 _object_types.append(
"HarmonicWell")
587 def _object_cast_to_HarmonicWell(o):
588 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
589 return _IMP_core._object_cast_to_HarmonicWell(o)
591 _object_types.append(
"HarmonicLowerBound")
594 def _object_cast_to_HarmonicLowerBound(o):
595 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
596 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
598 _object_types.append(
"HarmonicUpperBound")
601 def _object_cast_to_HarmonicUpperBound(o):
602 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
603 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
605 _object_types.append(
"HarmonicSphereDistancePairScore")
608 def _object_cast_to_HarmonicSphereDistancePairScore(o):
609 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
610 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
612 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
615 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
626 _object_types.append(
"HarmonicSurfaceDistancePairScore")
629 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
630 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
631 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
633 _object_types.append(
"HarmonicSurfaceHeightPairScore")
636 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
640 _object_types.append(
"HarmonicSurfaceDepthPairScore")
643 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
647 _object_types.append(
"WeightedSum")
650 def _object_cast_to_WeightedSum(o):
651 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
652 return _IMP_core._object_cast_to_WeightedSum(o)
654 _object_types.append(
"WeightedSumOfExponential")
657 def _object_cast_to_WeightedSumOfExponential(o):
658 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
659 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
661 _object_types.append(
"KClosePairsPairScore")
664 def _object_cast_to_KClosePairsPairScore(o):
665 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
666 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
668 _object_types.append(
"LeavesRefiner")
671 def _object_cast_to_LeavesRefiner(o):
672 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
673 return _IMP_core._object_cast_to_LeavesRefiner(o)
675 _object_types.append(
"Linear")
678 def _object_cast_to_Linear(o):
679 r"""_object_cast_to_Linear(Object o) -> Linear"""
680 return _IMP_core._object_cast_to_Linear(o)
682 _object_types.append(
"LogNormalMover")
685 def _object_cast_to_LogNormalMover(o):
686 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
687 return _IMP_core._object_cast_to_LogNormalMover(o)
689 _object_types.append(
"MCCGSampler")
692 def _object_cast_to_MCCGSampler(o):
693 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
694 return _IMP_core._object_cast_to_MCCGSampler(o)
696 _object_types.append(
"MonteCarlo")
699 def _object_cast_to_MonteCarlo(o):
700 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
701 return _IMP_core._object_cast_to_MonteCarlo(o)
703 _object_types.append(
"MonteCarloWithLocalOptimization")
706 def _object_cast_to_MonteCarloWithLocalOptimization(o):
707 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
708 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
710 _object_types.append(
"MonteCarloWithBasinHopping")
713 def _object_cast_to_MonteCarloWithBasinHopping(o):
714 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
715 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
717 _object_types.append(
"MSConnectivityRestraint")
720 def _object_cast_to_MSConnectivityRestraint(o):
721 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
722 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
724 _object_types.append(
"NeighborsTable")
727 def _object_cast_to_NeighborsTable(o):
728 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
729 return _IMP_core._object_cast_to_NeighborsTable(o)
731 _object_types.append(
"NormalMover")
734 def _object_cast_to_NormalMover(o):
735 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
736 return _IMP_core._object_cast_to_NormalMover(o)
738 _object_types.append(
"NormalizedSphereDistancePairScore")
741 def _object_cast_to_NormalizedSphereDistancePairScore(o):
742 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
743 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
745 _object_types.append(
"OpenCubicSpline")
748 def _object_cast_to_OpenCubicSpline(o):
749 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
750 return _IMP_core._object_cast_to_OpenCubicSpline(o)
752 _object_types.append(
"PairConstraint")
755 def _object_cast_to_PairConstraint(o):
756 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
757 return _IMP_core._object_cast_to_PairConstraint(o)
759 _object_types.append(
"PairRestraint")
762 def _object_cast_to_PairRestraint(o):
763 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
764 return _IMP_core._object_cast_to_PairRestraint(o)
766 _object_types.append(
"QuadConstraint")
769 def _object_cast_to_QuadConstraint(o):
770 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
771 return _IMP_core._object_cast_to_QuadConstraint(o)
773 _object_types.append(
"QuadRestraint")
776 def _object_cast_to_QuadRestraint(o):
777 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
778 return _IMP_core._object_cast_to_QuadRestraint(o)
780 _object_types.append(
"QuadraticClosePairsFinder")
783 def _object_cast_to_QuadraticClosePairsFinder(o):
784 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
785 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
787 _object_types.append(
"RefinedPairsPairScore")
790 def _object_cast_to_RefinedPairsPairScore(o):
791 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
792 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
794 _object_types.append(
"RestraintsScoringFunction")
797 def _object_cast_to_RestraintsScoringFunction(o):
798 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
799 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
801 _object_types.append(
"RigidBodyDistancePairScore")
804 def _object_cast_to_RigidBodyDistancePairScore(o):
805 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
806 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
808 _object_types.append(
"RigidBodyAnglePairScore")
811 def _object_cast_to_RigidBodyAnglePairScore(o):
812 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
815 _object_types.append(
"RigidBodyMover")
818 def _object_cast_to_RigidBodyMover(o):
819 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
820 return _IMP_core._object_cast_to_RigidBodyMover(o)
822 _object_types.append(
"RigidBodyTunneler")
825 def _object_cast_to_RigidBodyTunneler(o):
826 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
827 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
829 _object_types.append(
"RigidBodyUmbrella")
832 def _object_cast_to_RigidBodyUmbrella(o):
833 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
834 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
836 _object_types.append(
"_UpdateRigidBodyMembers")
839 def _object_cast_to__UpdateRigidBodyMembers(o):
840 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
841 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
843 _object_types.append(
"_AccumulateRigidBodyDerivatives")
846 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
847 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
848 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
850 _object_types.append(
"_RigidBodyNormalizeConstraint")
853 def _object_cast_to__RigidBodyNormalizeConstraint(o):
854 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
855 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
857 _object_types.append(
"_NormalizeRotation")
860 def _object_cast_to__NormalizeRotation(o):
861 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
862 return _IMP_core._object_cast_to__NormalizeRotation(o)
864 _object_types.append(
"_RigidBodyPositionConstraint")
867 def _object_cast_to__RigidBodyPositionConstraint(o):
868 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
869 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
871 _object_types.append(
"RigidClosePairsFinder")
874 def _object_cast_to_RigidClosePairsFinder(o):
875 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
876 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
878 _object_types.append(
"RigidMembersRefiner")
881 def _object_cast_to_RigidMembersRefiner(o):
882 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
883 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
885 _object_types.append(
"SingletonConstraint")
888 def _object_cast_to_SingletonConstraint(o):
889 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
890 return _IMP_core._object_cast_to_SingletonConstraint(o)
892 _object_types.append(
"SingletonRestraint")
895 def _object_cast_to_SingletonRestraint(o):
896 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
897 return _IMP_core._object_cast_to_SingletonRestraint(o)
899 _object_types.append(
"SoftSpherePairScore")
902 def _object_cast_to_SoftSpherePairScore(o):
903 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
904 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
906 _object_types.append(
"_SphereDistancePairScore")
909 def _object_cast_to__SphereDistancePairScore(o):
910 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
911 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
913 _object_types.append(
"SphereDistanceToSingletonScore")
916 def _object_cast_to_SphereDistanceToSingletonScore(o):
917 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
918 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
920 _object_types.append(
"SoftSubSurfacePairScore")
923 def _object_cast_to_SoftSubSurfacePairScore(o):
924 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
925 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
927 _object_types.append(
"SoftSuperSurfacePairScore")
930 def _object_cast_to_SoftSuperSurfacePairScore(o):
931 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
934 _object_types.append(
"SurfaceDistancePairScore")
937 def _object_cast_to_SurfaceDistancePairScore(o):
938 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
939 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
941 _object_types.append(
"SurfaceHeightPairScore")
944 def _object_cast_to_SurfaceHeightPairScore(o):
945 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
946 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
948 _object_types.append(
"SurfaceDepthPairScore")
951 def _object_cast_to_SurfaceDepthPairScore(o):
952 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
953 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
955 _object_types.append(
"SurfaceTetheredChain")
958 def _object_cast_to_SurfaceTetheredChain(o):
959 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
960 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
962 _object_types.append(
"SurfaceSymmetryConstraint")
965 def _object_cast_to_SurfaceSymmetryConstraint(o):
966 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
967 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
969 _object_types.append(
"SteepestDescent")
972 def _object_cast_to_SteepestDescent(o):
973 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
974 return _IMP_core._object_cast_to_SteepestDescent(o)
976 _object_types.append(
"TableRefiner")
979 def _object_cast_to_TableRefiner(o):
980 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
981 return _IMP_core._object_cast_to_TableRefiner(o)
983 _object_types.append(
"Transform")
986 def _object_cast_to_Transform(o):
987 r"""_object_cast_to_Transform(Object o) -> Transform"""
988 return _IMP_core._object_cast_to_Transform(o)
990 _object_types.append(
"TransformationAndReflectionSymmetry")
993 def _object_cast_to_TransformationAndReflectionSymmetry(o):
994 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
995 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
997 _object_types.append(
"TransformationSymmetry")
1000 def _object_cast_to_TransformationSymmetry(o):
1001 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1004 _object_types.append(
"TransformationSymmetryMover")
1007 def _object_cast_to_TransformationSymmetryMover(o):
1008 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1009 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1011 _object_types.append(
"TransformedDistancePairScore")
1014 def _object_cast_to_TransformedDistancePairScore(o):
1015 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1016 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1018 _object_types.append(
"TripletConstraint")
1021 def _object_cast_to_TripletConstraint(o):
1022 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1023 return _IMP_core._object_cast_to_TripletConstraint(o)
1025 _object_types.append(
"TripletRestraint")
1028 def _object_cast_to_TripletRestraint(o):
1029 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1030 return _IMP_core._object_cast_to_TripletRestraint(o)
1032 _object_types.append(
"TypedPairScore")
1035 def _object_cast_to_TypedPairScore(o):
1036 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1037 return _IMP_core._object_cast_to_TypedPairScore(o)
1039 _object_types.append(
"VolumeRestraint")
1042 def _object_cast_to_VolumeRestraint(o):
1043 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1044 return _IMP_core._object_cast_to_VolumeRestraint(o)
1046 _object_types.append(
"WeightedSphereDistancePairScore")
1049 def _object_cast_to_WeightedSphereDistancePairScore(o):
1050 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1051 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1053 _object_types.append(
"MoveStatisticsScoreState")
1056 def _object_cast_to_MoveStatisticsScoreState(o):
1057 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1058 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1060 _object_types.append(
"MinimumRestraint")
1063 def _object_cast_to_MinimumRestraint(o):
1064 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1065 return _IMP_core._object_cast_to_MinimumRestraint(o)
1067 _object_types.append(
"WriteRestraintScoresOptimizerState")
1070 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1071 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1072 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1074 _object_types.append(
"LateralSurfaceConstraint")
1077 def _object_cast_to_LateralSurfaceConstraint(o):
1078 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1079 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1081 _object_types.append(
"ConstantSingletonPredicate")
1084 def _object_cast_to_ConstantSingletonPredicate(o):
1085 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1086 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1088 _object_types.append(
"ConstantPairPredicate")
1091 def _object_cast_to_ConstantPairPredicate(o):
1092 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1093 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1095 _object_types.append(
"ConstantTripletPredicate")
1098 def _object_cast_to_ConstantTripletPredicate(o):
1099 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1100 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1102 _object_types.append(
"ConstantQuadPredicate")
1105 def _object_cast_to_ConstantQuadPredicate(o):
1106 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1107 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1109 _object_types.append(
"CoinFlipSingletonPredicate")
1112 def _object_cast_to_CoinFlipSingletonPredicate(o):
1113 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1114 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1116 _object_types.append(
"CoinFlipPairPredicate")
1119 def _object_cast_to_CoinFlipPairPredicate(o):
1120 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1123 _object_types.append(
"CoinFlipTripletPredicate")
1126 def _object_cast_to_CoinFlipTripletPredicate(o):
1127 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1130 _object_types.append(
"CoinFlipQuadPredicate")
1133 def _object_cast_to_CoinFlipQuadPredicate(o):
1134 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1137 _object_types.append(
"UnorderedTypeSingletonPredicate")
1140 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1141 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1142 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1144 _object_types.append(
"UnorderedTypePairPredicate")
1147 def _object_cast_to_UnorderedTypePairPredicate(o):
1148 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1151 _object_types.append(
"UnorderedTypeTripletPredicate")
1154 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1155 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1158 _object_types.append(
"UnorderedTypeQuadPredicate")
1161 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1165 _object_types.append(
"OrderedTypeSingletonPredicate")
1168 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1169 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1170 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1172 _object_types.append(
"OrderedTypePairPredicate")
1175 def _object_cast_to_OrderedTypePairPredicate(o):
1176 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1179 _object_types.append(
"OrderedTypeTripletPredicate")
1182 def _object_cast_to_OrderedTypeTripletPredicate(o):
1183 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1186 _object_types.append(
"OrderedTypeQuadPredicate")
1189 def _object_cast_to_OrderedTypeQuadPredicate(o):
1190 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1193 _object_types.append(
"AllSameSingletonPredicate")
1196 def _object_cast_to_AllSameSingletonPredicate(o):
1197 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1198 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1200 _object_types.append(
"AllSamePairPredicate")
1203 def _object_cast_to_AllSamePairPredicate(o):
1204 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1205 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1207 _object_types.append(
"AllSameTripletPredicate")
1210 def _object_cast_to_AllSameTripletPredicate(o):
1211 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1212 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1214 _object_types.append(
"AllSameQuadPredicate")
1217 def _object_cast_to_AllSameQuadPredicate(o):
1218 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1219 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1222 return [XYZ(x)
for x
in l]
1223 _plural_types.append(
"XYZs")
1226 _value_types.append(
"XYZ")
1230 return [XYZR(x)
for x
in l]
1231 _plural_types.append(
"XYZRs")
1234 _value_types.append(
"XYZR")
1237 def RigidBodies(l=[]):
1238 return [RigidBody(x)
for x
in l]
1239 _plural_types.append(
"RigidBodies")
1242 _value_types.append(
"RigidBody")
1245 def RigidBodyMembers(l=[]):
1246 return [RigidBodyMember(x)
for x
in l]
1247 _plural_types.append(
"RigidBodyMembers")
1250 _value_types.append(
"RigidBodyMember")
1253 def RigidMembers(l=[]):
1254 return [RigidMember(x)
for x
in l]
1255 _plural_types.append(
"RigidMembers")
1258 _value_types.append(
"RigidMember")
1261 def NonRigidMembers(l=[]):
1262 return [NonRigidMember(x)
for x
in l]
1263 _plural_types.append(
"NonRigidMembers")
1266 _value_types.append(
"NonRigidMember")
1269 def Centroids(l=[]):
1270 return [Centroid(x)
for x
in l]
1271 _plural_types.append(
"Centroids")
1274 _value_types.append(
"Centroid")
1278 return [Cover(x)
for x
in l]
1279 _plural_types.append(
"Covers")
1282 _value_types.append(
"Cover")
1285 def References(l=[]):
1286 return [Reference(x)
for x
in l]
1287 _plural_types.append(
"References")
1290 _value_types.append(
"Reference")
1294 _plural_types.append(
"ParticleTypes")
1295 _value_types.append(
"ParticleType")
1299 return [Typed(x)
for x
in l]
1300 _plural_types.append(
"Typeds")
1303 _value_types.append(
"Typed")
1306 def GenericHierarchies(l=[]):
1307 return [Hierarchy(x)
for x
in l]
1308 _plural_types.append(
"GenericHierarchies")
1311 _value_types.append(
"Hierarchy")
1314 def Gaussians(l=[]):
1315 return [Gaussian(x)
for x
in l]
1316 _plural_types.append(
"Gaussians")
1319 _value_types.append(
"Gaussian")
1322 def Directions(l=[]):
1323 return [Direction(x)
for x
in l]
1324 _plural_types.append(
"Directions")
1327 _value_types.append(
"Direction")
1330 def DirectionAngles(l=[]):
1331 return [DirectionAngle(x)
for x
in l]
1332 _plural_types.append(
"DirectionAngles")
1335 _value_types.append(
"DirectionAngle")
1339 return [Surface(x)
for x
in l]
1340 _plural_types.append(
"Surfaces")
1343 _value_types.append(
"Surface")
1346 def Provenances(l=[]):
1347 return [Provenance(x)
for x
in l]
1348 _plural_types.append(
"Provenances")
1351 _value_types.append(
"Provenance")
1354 def StructureProvenances(l=[]):
1355 return [StructureProvenance(x)
for x
in l]
1356 _plural_types.append(
"StructureProvenances")
1359 _value_types.append(
"StructureProvenance")
1362 def SampleProvenances(l=[]):
1363 return [SampleProvenance(x)
for x
in l]
1364 _plural_types.append(
"SampleProvenances")
1367 _value_types.append(
"SampleProvenance")
1370 def ClusterProvenances(l=[]):
1371 return [ClusterProvenance(x)
for x
in l]
1372 _plural_types.append(
"ClusterProvenances")
1375 _value_types.append(
"ClusterProvenance")
1378 def CombineProvenances(l=[]):
1379 return [CombineProvenance(x)
for x
in l]
1380 _plural_types.append(
"CombineProvenances")
1383 _value_types.append(
"CombineProvenance")
1386 def FilterProvenances(l=[]):
1387 return [FilterProvenance(x)
for x
in l]
1388 _plural_types.append(
"FilterProvenances")
1391 _value_types.append(
"FilterProvenance")
1394 def ScriptProvenances(l=[]):
1395 return [ScriptProvenance(x)
for x
in l]
1396 _plural_types.append(
"ScriptProvenances")
1399 _value_types.append(
"ScriptProvenance")
1402 def SoftwareProvenances(l=[]):
1403 return [SoftwareProvenance(x)
for x
in l]
1404 _plural_types.append(
"SoftwareProvenances")
1407 _value_types.append(
"SoftwareProvenance")
1410 def Provenanceds(l=[]):
1411 return [Provenanced(x)
for x
in l]
1412 _plural_types.append(
"Provenanceds")
1415 _value_types.append(
"Provenanced")
1418 HierarchyCounters=list
1419 _plural_types.append(
"HierarchyCounters")
1420 _value_types.append(
"HierarchyCounter")
1423 HierarchyTraitsList=list
1424 _plural_types.append(
"HierarchyTraitsList")
1425 _value_types.append(
"HierarchyTraits")
1428 _object_types.append(
"TruncatedHarmonicBound")
1431 def _object_cast_to_TruncatedHarmonicBound(o):
1432 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1433 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1435 _object_types.append(
"TruncatedHarmonicLowerBound")
1438 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1442 _object_types.append(
"TruncatedHarmonicUpperBound")
1445 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1449 _object_types.append(
"HarmonicDistancePairScore")
1452 def _object_cast_to_HarmonicDistancePairScore(o):
1453 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1454 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1456 _object_types.append(
"DistancePairScore")
1459 def _object_cast_to_DistancePairScore(o):
1460 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1461 return _IMP_core._object_cast_to_DistancePairScore(o)
1463 _object_types.append(
"XYZRGeometry")
1466 def _object_cast_to_XYZRGeometry(o):
1467 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1468 return _IMP_core._object_cast_to_XYZRGeometry(o)
1470 _object_types.append(
"XYZRsGeometry")
1473 def _object_cast_to_XYZRsGeometry(o):
1474 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1475 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1477 _object_types.append(
"XYZDerivativeGeometry")
1480 def _object_cast_to_XYZDerivativeGeometry(o):
1481 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1482 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1484 _object_types.append(
"XYZDerivativesGeometry")
1487 def _object_cast_to_XYZDerivativesGeometry(o):
1488 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1491 _object_types.append(
"RigidBodyDerivativeGeometry")
1494 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1495 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1496 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativesGeometry")
1501 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1505 _object_types.append(
"RigidBodyHierarchyGeometry")
1508 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1509 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1512 _object_types.append(
"RigidBodyFrameGeometry")
1515 def _object_cast_to_RigidBodyFrameGeometry(o):
1516 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1519 _object_types.append(
"RigidBodyFramesGeometry")
1522 def _object_cast_to_RigidBodyFramesGeometry(o):
1523 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1526 _object_types.append(
"RigidBodyTorque")
1529 def _object_cast_to_RigidBodyTorque(o):
1530 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1531 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1533 _object_types.append(
"EdgePairGeometry")
1536 def _object_cast_to_EdgePairGeometry(o):
1537 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1538 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1540 _object_types.append(
"EdgePairsGeometry")
1543 def _object_cast_to_EdgePairsGeometry(o):
1544 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1547 _object_types.append(
"SurfaceGeometry")
1550 def _object_cast_to_SurfaceGeometry(o):
1551 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1552 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1554 _object_types.append(
"SurfaceGeometryConstraint")
1557 def _object_cast_to_SurfaceGeometryConstraint(o):
1558 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1559 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1561 _object_types.append(
"AttributeSingletonPredicate")
1564 def _object_cast_to_AttributeSingletonPredicate(o):
1565 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1566 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1568 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1571 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1572 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1573 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1575 _object_types.append(
"IsCollisionPairPredicate")
1578 def _object_cast_to_IsCollisionPairPredicate(o):
1579 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1580 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1582 BinormalTermList=list
1583 _plural_types.append(
"BinormalTermList")
1584 _value_types.append(
"BinormalTerm")
1587 _object_types.append(
"MultipleBinormalRestraint")
1590 def _object_cast_to_MultipleBinormalRestraint(o):
1591 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1592 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1593 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1594 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1598 def __init__(self, *args, **kwargs):
1599 raise AttributeError(
"No constructor defined - class is abstract")
1600 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1602 def get_close_pairs(self, *args):
1604 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1605 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1606 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1607 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1609 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1611 def set_distance(self, d):
1612 r"""set_distance(ClosePairsFinder self, double d)"""
1613 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1616 r"""get_distance(ClosePairsFinder self) -> double"""
1617 return _IMP_core.ClosePairsFinder_get_distance(self)
1618 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
1619 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1620 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1621 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1623 def remove_pair_filter(self, d):
1624 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1625 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1627 def _python_index_pair_filter(self, d, start, stop):
1628 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1629 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1631 def remove_pair_filters(self, d):
1632 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1633 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1635 def set_pair_filters(self, ps):
1636 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1637 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1639 def set_pair_filters_order(self, objs):
1640 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1641 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1643 def add_pair_filter(self, obj):
1644 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1645 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1647 def add_pair_filters(self, objs):
1648 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1649 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1651 def clear_pair_filters(self):
1652 r"""clear_pair_filters(ClosePairsFinder self)"""
1653 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1655 def get_number_of_pair_filters(self):
1656 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1657 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1659 def get_has_pair_filters(self):
1660 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1661 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1663 def get_pair_filter(self, i):
1664 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1665 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1667 def get_pair_filters(self):
1668 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1669 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1671 def erase_pair_filter(self, i):
1672 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1673 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1675 def reserve_pair_filters(self, sz):
1676 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1677 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1680 r"""__str__(ClosePairsFinder self) -> std::string"""
1681 return _IMP_core.ClosePairsFinder___str__(self)
1684 r"""__repr__(ClosePairsFinder self) -> std::string"""
1685 return _IMP_core.ClosePairsFinder___repr__(self)
1689 return _object_cast_to_ClosePairsFinder(o)
1693 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1694 class MonteCarloMoverResult(IMP._Value):
1695 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1699 def __init__(self, *args):
1700 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1701 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1704 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1705 return _IMP_core.MonteCarloMoverResult___hash__(self)
1707 def show(self, *args):
1708 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1709 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1711 def __eq__(self, o):
1712 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1713 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1715 def __ne__(self, o):
1716 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1717 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1719 def __lt__(self, o):
1720 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1721 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1723 def __gt__(self, o):
1724 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1725 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1727 def __ge__(self, o):
1728 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1729 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1731 def __le__(self, o):
1732 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1733 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1735 def get_moved_particles(self):
1736 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1737 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1739 def set_moved_particles(self, v):
1740 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1741 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1743 def get_proposal_ratio(self):
1744 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1745 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1747 def set_proposal_ratio(self, v):
1748 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1749 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1752 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1753 return _IMP_core.MonteCarloMoverResult___str__(self)
1756 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1757 return _IMP_core.MonteCarloMoverResult___repr__(self)
1758 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1761 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1763 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1765 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1767 def __init__(self, *args):
1769 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1770 __init__(MonteCarloMover self) -> MonteCarloMover
1772 if self.__class__ == MonteCarloMover:
1776 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1778 if self.__class__ != MonteCarloMover:
1779 _director_objects.register(self)
1785 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1786 return _IMP_core.MonteCarloMover_propose(self)
1789 r"""reject(MonteCarloMover self)"""
1790 return _IMP_core.MonteCarloMover_reject(self)
1793 r"""accept(MonteCarloMover self)"""
1794 return _IMP_core.MonteCarloMover_accept(self)
1796 def get_number_of_proposed(self):
1797 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1798 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1800 def get_number_of_accepted(self):
1801 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1802 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1804 def reset_statistics(self):
1805 r"""reset_statistics(MonteCarloMover self)"""
1806 return _IMP_core.MonteCarloMover_reset_statistics(self)
1808 def add_to_statistics(self, num_proposed, num_rejected):
1809 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1810 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1812 def do_propose(self):
1813 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1814 return _IMP_core.MonteCarloMover_do_propose(self)
1816 def do_reject(self):
1817 r"""do_reject(MonteCarloMover self)"""
1818 return _IMP_core.MonteCarloMover_do_reject(self)
1820 def do_accept(self):
1821 r"""do_accept(MonteCarloMover self)"""
1822 return _IMP_core.MonteCarloMover_do_accept(self)
1824 def do_get_outputs(self):
1825 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1826 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1829 r"""__str__(MonteCarloMover self) -> std::string"""
1830 return _IMP_core.MonteCarloMover___str__(self)
1833 r"""__repr__(MonteCarloMover self) -> std::string"""
1834 return _IMP_core.MonteCarloMover___repr__(self)
1838 return _object_cast_to_MonteCarloMover(o)
1841 def do_show(self, out):
1846 return _object_cast_to_MonteCarloMover(o)
1849 def _get_jax(self, space):
1850 """Return a JAX implementation of this mover.
1851 Implement this method in a MonteCarloMover subclass to provide
1852 equivalent functionality using [JAX](https://docs.jax.dev/).
1853 See _wrap_jax for more information.
1855 @param space The space in which the mover operates
1856 (e.g. a periodic box). See IMP._jax_util.Space.
1858 raise NotImplementedError(f
"No JAX implementation for {self}")
1860 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1861 sync_func=
None, reset_stats_func=
None, keys=
None):
1862 """Create the return value for _get_jax.
1863 Use this method in _get_jax() to wrap the JAX functions
1864 with other mover-specific information.
1866 @param init_func a JAX function which is used to initialize this
1867 mover. It is called with a single argument, a fresh JAX
1868 random key, and should return a persistent state object.
1869 This object may be the key itself, or any other Python object
1870 that JAX understands.
1871 @param propose_func a JAX function which is called with the current
1872 JAX Model and the mover's persistent state object.
1873 It should return a new JAX Model with the move applied,
1874 a new persistent state, and the proposal ratio. If the move
1875 is rejected then the new JAX Model will be discarded.
1876 However, the mover's persistent state is updated for both
1877 accepted and rejected moves.
1878 @param accept_func if provided, a JAX function which is called
1879 after each accepted Monte Carlo move, with the persistent
1880 state object. It should return a new persistent state.
1881 @param sync_func If provided, a Python function which is called
1882 at the end of a Monte Carlo sampling run to sync mover
1883 data back to IMP. It is called with the persistent state
1884 and the IMP Mover object.
1885 @param reset_stats_func If provided, a JAX function which is called
1886 at the beginning of a Monte Carlo run to reset this mover's
1887 statistics. It is called with the persistent state object and
1888 should return a new state.
1889 @param keys If given, a set of IMP::Key objects describing Model
1890 attributes (other than xyz and radius) that are altered
1893 from IMP.core._jax_util
import JAXMoverInfo
1894 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1895 reset_stats_func, keys)
1897 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1898 def __disown__(self):
1900 _IMP_core.disown_MonteCarloMover(self)
1901 return weakref.proxy(self)
1903 def do_destroy(self):
1904 r"""do_destroy(MonteCarloMover self)"""
1905 return _IMP_core.MonteCarloMover_do_destroy(self)
1907 def handle_set_has_required_score_states(self, arg0):
1908 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1909 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1911 def do_get_inputs(self):
1912 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1913 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1915 def do_get_interactions(self):
1916 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1917 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1920 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1922 r"""Proxy of C++ IMP::core::XYZ class."""
1924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1927 def get_coordinate_key(i):
1928 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1929 return _IMP_core.XYZ_get_coordinate_key(i)
1931 def __init__(self, *args):
1933 __init__(XYZ self) -> XYZ
1934 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1935 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1937 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1939 def show(self, *args):
1940 r"""show(XYZ self, _ostream out=std::cout)"""
1941 return _IMP_core.XYZ_show(self, *args)
1944 def setup_particle(*args):
1946 setup_particle(Model m, ParticleIndex pi) -> XYZ
1947 setup_particle(_ParticleAdaptor pa) -> XYZ
1948 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1949 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1951 return _IMP_core.XYZ_setup_particle(*args)
1954 r"""get_x(XYZ self) -> IMP::Float"""
1955 return _IMP_core.XYZ_get_x(self)
1958 r"""set_x(XYZ self, IMP::Float t)"""
1959 return _IMP_core.XYZ_set_x(self, t)
1962 r"""get_y(XYZ self) -> IMP::Float"""
1963 return _IMP_core.XYZ_get_y(self)
1966 r"""set_y(XYZ self, IMP::Float t)"""
1967 return _IMP_core.XYZ_set_y(self, t)
1970 r"""get_z(XYZ self) -> IMP::Float"""
1971 return _IMP_core.XYZ_get_z(self)
1974 r"""set_z(XYZ self, IMP::Float t)"""
1975 return _IMP_core.XYZ_set_z(self, t)
1977 def set_coordinate(self, i, v):
1978 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1979 return _IMP_core.XYZ_set_coordinate(self, i, v)
1981 def set_coordinates(self, v):
1982 r"""set_coordinates(XYZ self, Vector3D v)"""
1983 return _IMP_core.XYZ_set_coordinates(self, v)
1985 def get_coordinate(self, i):
1986 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1987 return _IMP_core.XYZ_get_coordinate(self, i)
1989 def add_to_derivatives(self, v, d):
1990 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1991 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1993 def get_coordinates_are_optimized(self):
1994 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1995 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1997 def set_coordinates_are_optimized(self, tf):
1998 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1999 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2001 def get_vector_to(self, b):
2002 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2003 return _IMP_core.XYZ_get_vector_to(self, b)
2005 def get_coordinates(self):
2006 r"""get_coordinates(XYZ self) -> Vector3D"""
2007 return _IMP_core.XYZ_get_coordinates(self)
2009 def get_derivatives(self):
2010 r"""get_derivatives(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_derivatives(self)
2014 def get_is_setup(*args):
2016 get_is_setup(_ParticleAdaptor p) -> bool
2017 get_is_setup(Model m, ParticleIndex pi) -> bool
2019 return _IMP_core.XYZ_get_is_setup(*args)
2023 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2024 return _IMP_core.XYZ_get_xyz_keys()
2026 def add_attribute(self, *args):
2028 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2029 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2030 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2031 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2032 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2033 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2034 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2035 add_attribute(XYZ self, ObjectKey a0, Object a1)
2036 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2037 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2038 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2039 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2041 return _IMP_core.XYZ_add_attribute(self, *args)
2043 def get_value(self, *args):
2045 get_value(XYZ self, FloatKey a0) -> IMP::Float
2046 get_value(XYZ self, IntKey a0) -> IMP::Int
2047 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2048 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2049 get_value(XYZ self, StringKey a0) -> IMP::String
2050 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2051 get_value(XYZ self, ObjectKey a0) -> Object
2052 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2053 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2054 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2055 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2057 return _IMP_core.XYZ_get_value(self, *args)
2059 def set_value(self, *args):
2061 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2062 set_value(XYZ self, IntKey a0, IMP::Int a1)
2063 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2064 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2065 set_value(XYZ self, StringKey a0, IMP::String a1)
2066 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2067 set_value(XYZ self, ObjectKey a0, Object a1)
2068 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2069 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2070 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2071 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2073 return _IMP_core.XYZ_set_value(self, *args)
2075 def remove_attribute(self, *args):
2077 remove_attribute(XYZ self, FloatKey a0)
2078 remove_attribute(XYZ self, IntKey a0)
2079 remove_attribute(XYZ self, FloatsKey a0)
2080 remove_attribute(XYZ self, IntsKey a0)
2081 remove_attribute(XYZ self, StringKey a0)
2082 remove_attribute(XYZ self, ParticleIndexKey a0)
2083 remove_attribute(XYZ self, ObjectKey a0)
2084 remove_attribute(XYZ self, SparseFloatKey a0)
2085 remove_attribute(XYZ self, SparseIntKey a0)
2086 remove_attribute(XYZ self, SparseStringKey a0)
2087 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2089 return _IMP_core.XYZ_remove_attribute(self, *args)
2091 def has_attribute(self, *args):
2093 has_attribute(XYZ self, FloatKey a0) -> bool
2094 has_attribute(XYZ self, IntKey a0) -> bool
2095 has_attribute(XYZ self, FloatsKey a0) -> bool
2096 has_attribute(XYZ self, IntsKey a0) -> bool
2097 has_attribute(XYZ self, StringKey a0) -> bool
2098 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2099 has_attribute(XYZ self, ObjectKey a0) -> bool
2100 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2101 has_attribute(XYZ self, SparseIntKey a0) -> bool
2102 has_attribute(XYZ self, SparseStringKey a0) -> bool
2103 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2105 return _IMP_core.XYZ_has_attribute(self, *args)
2107 def get_derivative(self, *args):
2109 get_derivative(XYZ self, int i) -> IMP::Float
2110 get_derivative(XYZ self, FloatKey a0) -> double
2112 return _IMP_core.XYZ_get_derivative(self, *args)
2115 r"""get_name(XYZ self) -> std::string"""
2116 return _IMP_core.XYZ_get_name(self)
2118 def clear_caches(self):
2119 r"""clear_caches(XYZ self)"""
2120 return _IMP_core.XYZ_clear_caches(self)
2122 def set_name(self, a0):
2123 r"""set_name(XYZ self, std::string a0)"""
2124 return _IMP_core.XYZ_set_name(self, a0)
2127 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2128 return _IMP_core.XYZ_set_check_level(self, a0)
2130 def add_to_derivative(self, *args):
2132 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2133 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2135 return _IMP_core.XYZ_add_to_derivative(self, *args)
2137 def set_is_optimized(self, a0, a1):
2138 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2139 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2141 def get_is_optimized(self, a0):
2142 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2143 return _IMP_core.XYZ_get_is_optimized(self, a0)
2146 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2147 return _IMP_core.XYZ_get_check_level(self)
2149 def __eq__(self, *args):
2151 __eq__(XYZ self, XYZ o) -> bool
2152 __eq__(XYZ self, Particle d) -> bool
2154 return _IMP_core.XYZ___eq__(self, *args)
2156 def __ne__(self, *args):
2158 __ne__(XYZ self, XYZ o) -> bool
2159 __ne__(XYZ self, Particle d) -> bool
2161 return _IMP_core.XYZ___ne__(self, *args)
2163 def __le__(self, *args):
2165 __le__(XYZ self, XYZ o) -> bool
2166 __le__(XYZ self, Particle d) -> bool
2168 return _IMP_core.XYZ___le__(self, *args)
2170 def __lt__(self, *args):
2172 __lt__(XYZ self, XYZ o) -> bool
2173 __lt__(XYZ self, Particle d) -> bool
2175 return _IMP_core.XYZ___lt__(self, *args)
2177 def __ge__(self, *args):
2179 __ge__(XYZ self, XYZ o) -> bool
2180 __ge__(XYZ self, Particle d) -> bool
2182 return _IMP_core.XYZ___ge__(self, *args)
2184 def __gt__(self, *args):
2186 __gt__(XYZ self, XYZ o) -> bool
2187 __gt__(XYZ self, Particle d) -> bool
2189 return _IMP_core.XYZ___gt__(self, *args)
2192 r"""__hash__(XYZ self) -> std::size_t"""
2193 return _IMP_core.XYZ___hash__(self)
2196 r"""__str__(XYZ self) -> std::string"""
2197 return _IMP_core.XYZ___str__(self)
2200 r"""__repr__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___repr__(self)
2203 def _get_as_binary(self):
2204 r"""_get_as_binary(XYZ self) -> PyObject *"""
2205 return _IMP_core.XYZ__get_as_binary(self)
2207 def _set_from_binary(self, p):
2208 r"""_set_from_binary(XYZ self, PyObject * p)"""
2209 return _IMP_core.XYZ__set_from_binary(self, p)
2211 def __getstate__(self):
2212 p = self._get_as_binary()
2213 if len(self.__dict__) > 1:
2214 d = self.__dict__.copy()
2219 def __setstate__(self, p):
2220 if not hasattr(self,
'this'):
2222 if isinstance(p, tuple):
2224 self.__dict__.update(d)
2225 return self._set_from_binary(p)
2227 __swig_destroy__ = _IMP_core.delete_XYZ
2230 _IMP_core.XYZ_swigregister(XYZ)
2233 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2234 return _IMP_core.set_vector_geometry(d, v)
2237 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2238 return _IMP_core.get_vector_geometry(d)
2241 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2242 return _IMP_core.get_dihedral(a, b, c, d)
2244 r"""Proxy of C++ IMP::core::XYZR class."""
2246 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2248 def __init__(self, *args):
2250 __init__(XYZR self) -> XYZR
2251 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2252 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2254 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2256 def show(self, *args):
2257 r"""show(XYZR self, _ostream out=std::cout)"""
2258 return _IMP_core.XYZR_show(self, *args)
2261 def setup_particle(*args):
2263 setup_particle(Model m, ParticleIndex pi) -> XYZR
2264 setup_particle(_ParticleAdaptor pa) -> XYZR
2265 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2266 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2267 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2268 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2270 return _IMP_core.XYZR_setup_particle(*args)
2273 def get_is_setup(*args):
2275 get_is_setup(_ParticleAdaptor p) -> bool
2276 get_is_setup(Model m, ParticleIndex pi) -> bool
2278 return _IMP_core.XYZR_get_is_setup(*args)
2280 def get_radius(self):
2281 r"""get_radius(XYZR self) -> double"""
2282 return _IMP_core.XYZR_get_radius(self)
2284 def set_radius(self, r):
2285 r"""set_radius(XYZR self, double r)"""
2286 return _IMP_core.XYZR_set_radius(self, r)
2288 def get_sphere(self):
2289 r"""get_sphere(XYZR self) -> Sphere3D"""
2290 return _IMP_core.XYZR_get_sphere(self)
2292 def set_sphere(self, s):
2293 r"""set_sphere(XYZR self, Sphere3D s)"""
2294 return _IMP_core.XYZR_set_sphere(self, s)
2297 def get_radius_key():
2298 r"""get_radius_key() -> FloatKey"""
2299 return _IMP_core.XYZR_get_radius_key()
2301 def add_to_radius_derivative(self, v, d):
2302 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2303 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2305 def add_attribute(self, *args):
2307 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2308 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2309 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2310 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2311 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2312 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2313 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2314 add_attribute(XYZR self, ObjectKey a0, Object a1)
2315 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2316 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2317 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2318 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2320 return _IMP_core.XYZR_add_attribute(self, *args)
2322 def get_value(self, *args):
2324 get_value(XYZR self, FloatKey a0) -> IMP::Float
2325 get_value(XYZR self, IntKey a0) -> IMP::Int
2326 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2327 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2328 get_value(XYZR self, StringKey a0) -> IMP::String
2329 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2330 get_value(XYZR self, ObjectKey a0) -> Object
2331 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2332 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2333 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2334 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2336 return _IMP_core.XYZR_get_value(self, *args)
2338 def set_value(self, *args):
2340 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2341 set_value(XYZR self, IntKey a0, IMP::Int a1)
2342 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2343 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2344 set_value(XYZR self, StringKey a0, IMP::String a1)
2345 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2346 set_value(XYZR self, ObjectKey a0, Object a1)
2347 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2348 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2349 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2350 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2352 return _IMP_core.XYZR_set_value(self, *args)
2354 def remove_attribute(self, *args):
2356 remove_attribute(XYZR self, FloatKey a0)
2357 remove_attribute(XYZR self, IntKey a0)
2358 remove_attribute(XYZR self, FloatsKey a0)
2359 remove_attribute(XYZR self, IntsKey a0)
2360 remove_attribute(XYZR self, StringKey a0)
2361 remove_attribute(XYZR self, ParticleIndexKey a0)
2362 remove_attribute(XYZR self, ObjectKey a0)
2363 remove_attribute(XYZR self, SparseFloatKey a0)
2364 remove_attribute(XYZR self, SparseIntKey a0)
2365 remove_attribute(XYZR self, SparseStringKey a0)
2366 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2368 return _IMP_core.XYZR_remove_attribute(self, *args)
2370 def has_attribute(self, *args):
2372 has_attribute(XYZR self, FloatKey a0) -> bool
2373 has_attribute(XYZR self, IntKey a0) -> bool
2374 has_attribute(XYZR self, FloatsKey a0) -> bool
2375 has_attribute(XYZR self, IntsKey a0) -> bool
2376 has_attribute(XYZR self, StringKey a0) -> bool
2377 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2378 has_attribute(XYZR self, ObjectKey a0) -> bool
2379 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2380 has_attribute(XYZR self, SparseIntKey a0) -> bool
2381 has_attribute(XYZR self, SparseStringKey a0) -> bool
2382 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2384 return _IMP_core.XYZR_has_attribute(self, *args)
2386 def get_derivative(self, a0):
2387 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2388 return _IMP_core.XYZR_get_derivative(self, a0)
2391 r"""get_name(XYZR self) -> std::string"""
2392 return _IMP_core.XYZR_get_name(self)
2394 def clear_caches(self):
2395 r"""clear_caches(XYZR self)"""
2396 return _IMP_core.XYZR_clear_caches(self)
2398 def set_name(self, a0):
2399 r"""set_name(XYZR self, std::string a0)"""
2400 return _IMP_core.XYZR_set_name(self, a0)
2403 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2404 return _IMP_core.XYZR_set_check_level(self, a0)
2406 def add_to_derivative(self, a0, a1, a2):
2407 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2408 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2410 def set_is_optimized(self, a0, a1):
2411 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2412 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2414 def get_is_optimized(self, a0):
2415 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2416 return _IMP_core.XYZR_get_is_optimized(self, a0)
2419 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2420 return _IMP_core.XYZR_get_check_level(self)
2422 def __eq__(self, *args):
2424 __eq__(XYZR self, XYZR o) -> bool
2425 __eq__(XYZR self, Particle d) -> bool
2427 return _IMP_core.XYZR___eq__(self, *args)
2429 def __ne__(self, *args):
2431 __ne__(XYZR self, XYZR o) -> bool
2432 __ne__(XYZR self, Particle d) -> bool
2434 return _IMP_core.XYZR___ne__(self, *args)
2436 def __le__(self, *args):
2438 __le__(XYZR self, XYZR o) -> bool
2439 __le__(XYZR self, Particle d) -> bool
2441 return _IMP_core.XYZR___le__(self, *args)
2443 def __lt__(self, *args):
2445 __lt__(XYZR self, XYZR o) -> bool
2446 __lt__(XYZR self, Particle d) -> bool
2448 return _IMP_core.XYZR___lt__(self, *args)
2450 def __ge__(self, *args):
2452 __ge__(XYZR self, XYZR o) -> bool
2453 __ge__(XYZR self, Particle d) -> bool
2455 return _IMP_core.XYZR___ge__(self, *args)
2457 def __gt__(self, *args):
2459 __gt__(XYZR self, XYZR o) -> bool
2460 __gt__(XYZR self, Particle d) -> bool
2462 return _IMP_core.XYZR___gt__(self, *args)
2465 r"""__hash__(XYZR self) -> std::size_t"""
2466 return _IMP_core.XYZR___hash__(self)
2469 r"""__str__(XYZR self) -> std::string"""
2470 return _IMP_core.XYZR___str__(self)
2473 r"""__repr__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___repr__(self)
2476 def _get_as_binary(self):
2477 r"""_get_as_binary(XYZR self) -> PyObject *"""
2478 return _IMP_core.XYZR__get_as_binary(self)
2480 def _set_from_binary(self, p):
2481 r"""_set_from_binary(XYZR self, PyObject * p)"""
2482 return _IMP_core.XYZR__set_from_binary(self, p)
2484 def __getstate__(self):
2485 p = self._get_as_binary()
2486 if len(self.__dict__) > 1:
2487 d = self.__dict__.copy()
2492 def __setstate__(self, p):
2493 if not hasattr(self,
'this'):
2495 if isinstance(p, tuple):
2497 self.__dict__.update(d)
2498 return self._set_from_binary(p)
2500 __swig_destroy__ = _IMP_core.delete_XYZR
2503 _IMP_core.XYZR_swigregister(XYZR)
2506 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2507 return _IMP_core.set_enclosing_sphere(b, v, slack)
2510 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2511 return _IMP_core.set_enclosing_radius(b, v)
2514 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2515 return _IMP_core.get_enclosing_sphere(v)
2518 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2519 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2521 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2523 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2525 def __init__(self, *args):
2527 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2528 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2530 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2532 def get_version_info(self):
2533 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2534 return _IMP_core.XYZRGeometry_get_version_info(self)
2535 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2538 r"""__str__(XYZRGeometry self) -> std::string"""
2539 return _IMP_core.XYZRGeometry___str__(self)
2542 r"""__repr__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___repr__(self)
2547 return _object_cast_to_XYZRGeometry(o)
2551 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2553 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2557 def __init__(self, sc):
2558 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2559 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2561 def get_version_info(self):
2562 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2563 return _IMP_core.XYZRsGeometry_get_version_info(self)
2564 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2567 r"""__str__(XYZRsGeometry self) -> std::string"""
2568 return _IMP_core.XYZRsGeometry___str__(self)
2571 r"""__repr__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___repr__(self)
2576 return _object_cast_to_XYZRsGeometry(o)
2580 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2582 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2586 def __init__(self, *args):
2588 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2589 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2591 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2593 def get_version_info(self):
2594 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2595 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2596 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2599 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2600 return _IMP_core.XYZDerivativeGeometry___str__(self)
2603 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2608 return _object_cast_to_XYZDerivativeGeometry(o)
2612 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2614 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2616 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2618 def __init__(self, sc):
2619 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2620 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2622 def get_version_info(self):
2623 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2624 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2625 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2628 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2629 return _IMP_core.XYZDerivativesGeometry___str__(self)
2632 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2637 return _object_cast_to_XYZDerivativesGeometry(o)
2641 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2643 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2647 def __init__(self, pp):
2648 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2649 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2651 def get_version_info(self):
2652 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2653 return _IMP_core.EdgePairGeometry_get_version_info(self)
2654 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2657 r"""__str__(EdgePairGeometry self) -> std::string"""
2658 return _IMP_core.EdgePairGeometry___str__(self)
2661 r"""__repr__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___repr__(self)
2666 return _object_cast_to_EdgePairGeometry(o)
2670 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2672 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2676 def __init__(self, sc):
2677 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2678 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2680 def get_version_info(self):
2681 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2682 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2683 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2686 r"""__str__(EdgePairsGeometry self) -> std::string"""
2687 return _IMP_core.EdgePairsGeometry___str__(self)
2690 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___repr__(self)
2695 return _object_cast_to_EdgePairsGeometry(o)
2699 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2701 r"""Proxy of C++ IMP::core::Direction class."""
2703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2706 def do_setup_particle(m, pi, v):
2707 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2708 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2710 def __init__(self, *args):
2712 __init__(Direction self) -> Direction
2713 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2714 __init__(Direction self, _ParticleAdaptor d) -> Direction
2716 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2718 def show(self, *args):
2719 r"""show(Direction self, _ostream out=std::cout)"""
2720 return _IMP_core.Direction_show(self, *args)
2723 def setup_particle(*args):
2725 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2726 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2728 return _IMP_core.Direction_setup_particle(*args)
2731 def get_is_setup(*args):
2733 get_is_setup(_ParticleAdaptor p) -> bool
2734 get_is_setup(Model m, ParticleIndex pi) -> bool
2736 return _IMP_core.Direction_get_is_setup(*args)
2739 def get_direction_key(i):
2740 r"""get_direction_key(unsigned int i) -> FloatKey"""
2741 return _IMP_core.Direction_get_direction_key(i)
2743 def get_direction_derivative(self, i):
2744 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2745 return _IMP_core.Direction_get_direction_derivative(self, i)
2747 def get_direction_derivatives(self):
2748 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2749 return _IMP_core.Direction_get_direction_derivatives(self)
2751 def add_to_direction_derivative(self, i, v, d):
2752 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2753 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2755 def add_to_direction_derivatives(self, v, d):
2756 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2759 def get_direction_is_optimized(self):
2760 r"""get_direction_is_optimized(Direction self) -> bool"""
2761 return _IMP_core.Direction_get_direction_is_optimized(self)
2763 def set_direction_is_optimized(self, tf):
2764 r"""set_direction_is_optimized(Direction self, bool tf)"""
2765 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2767 def get_direction(self):
2768 r"""get_direction(Direction self) -> Vector3D"""
2769 return _IMP_core.Direction_get_direction(self)
2771 def set_direction(self, v):
2772 r"""set_direction(Direction self, Vector3D v)"""
2773 return _IMP_core.Direction_set_direction(self, v)
2776 r"""reflect(Direction self)"""
2777 return _IMP_core.Direction_reflect(self)
2779 def add_attribute(self, *args):
2781 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2782 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2783 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2784 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2785 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2786 add_attribute(Direction self, StringKey a0, IMP::String a1)
2787 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2788 add_attribute(Direction self, ObjectKey a0, Object a1)
2789 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2790 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2791 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2792 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2794 return _IMP_core.Direction_add_attribute(self, *args)
2796 def get_value(self, *args):
2798 get_value(Direction self, FloatKey a0) -> IMP::Float
2799 get_value(Direction self, IntKey a0) -> IMP::Int
2800 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2801 get_value(Direction self, IntsKey a0) -> IMP::Ints
2802 get_value(Direction self, StringKey a0) -> IMP::String
2803 get_value(Direction self, ParticleIndexKey a0) -> Particle
2804 get_value(Direction self, ObjectKey a0) -> Object
2805 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2806 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2807 get_value(Direction self, SparseStringKey a0) -> IMP::String
2808 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2810 return _IMP_core.Direction_get_value(self, *args)
2812 def set_value(self, *args):
2814 set_value(Direction self, FloatKey a0, IMP::Float a1)
2815 set_value(Direction self, IntKey a0, IMP::Int a1)
2816 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2817 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2818 set_value(Direction self, StringKey a0, IMP::String a1)
2819 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2820 set_value(Direction self, ObjectKey a0, Object a1)
2821 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2822 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2823 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2824 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2826 return _IMP_core.Direction_set_value(self, *args)
2828 def remove_attribute(self, *args):
2830 remove_attribute(Direction self, FloatKey a0)
2831 remove_attribute(Direction self, IntKey a0)
2832 remove_attribute(Direction self, FloatsKey a0)
2833 remove_attribute(Direction self, IntsKey a0)
2834 remove_attribute(Direction self, StringKey a0)
2835 remove_attribute(Direction self, ParticleIndexKey a0)
2836 remove_attribute(Direction self, ObjectKey a0)
2837 remove_attribute(Direction self, SparseFloatKey a0)
2838 remove_attribute(Direction self, SparseIntKey a0)
2839 remove_attribute(Direction self, SparseStringKey a0)
2840 remove_attribute(Direction self, SparseParticleIndexKey a0)
2842 return _IMP_core.Direction_remove_attribute(self, *args)
2844 def has_attribute(self, *args):
2846 has_attribute(Direction self, FloatKey a0) -> bool
2847 has_attribute(Direction self, IntKey a0) -> bool
2848 has_attribute(Direction self, FloatsKey a0) -> bool
2849 has_attribute(Direction self, IntsKey a0) -> bool
2850 has_attribute(Direction self, StringKey a0) -> bool
2851 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2852 has_attribute(Direction self, ObjectKey a0) -> bool
2853 has_attribute(Direction self, SparseFloatKey a0) -> bool
2854 has_attribute(Direction self, SparseIntKey a0) -> bool
2855 has_attribute(Direction self, SparseStringKey a0) -> bool
2856 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2858 return _IMP_core.Direction_has_attribute(self, *args)
2860 def get_derivative(self, a0):
2861 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2862 return _IMP_core.Direction_get_derivative(self, a0)
2865 r"""get_name(Direction self) -> std::string"""
2866 return _IMP_core.Direction_get_name(self)
2868 def clear_caches(self):
2869 r"""clear_caches(Direction self)"""
2870 return _IMP_core.Direction_clear_caches(self)
2872 def set_name(self, a0):
2873 r"""set_name(Direction self, std::string a0)"""
2874 return _IMP_core.Direction_set_name(self, a0)
2877 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2878 return _IMP_core.Direction_set_check_level(self, a0)
2880 def add_to_derivative(self, a0, a1, a2):
2881 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2882 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2884 def set_is_optimized(self, a0, a1):
2885 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2886 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2888 def get_is_optimized(self, a0):
2889 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2890 return _IMP_core.Direction_get_is_optimized(self, a0)
2893 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2894 return _IMP_core.Direction_get_check_level(self)
2896 def __eq__(self, *args):
2898 __eq__(Direction self, Direction o) -> bool
2899 __eq__(Direction self, Particle d) -> bool
2901 return _IMP_core.Direction___eq__(self, *args)
2903 def __ne__(self, *args):
2905 __ne__(Direction self, Direction o) -> bool
2906 __ne__(Direction self, Particle d) -> bool
2908 return _IMP_core.Direction___ne__(self, *args)
2910 def __le__(self, *args):
2912 __le__(Direction self, Direction o) -> bool
2913 __le__(Direction self, Particle d) -> bool
2915 return _IMP_core.Direction___le__(self, *args)
2917 def __lt__(self, *args):
2919 __lt__(Direction self, Direction o) -> bool
2920 __lt__(Direction self, Particle d) -> bool
2922 return _IMP_core.Direction___lt__(self, *args)
2924 def __ge__(self, *args):
2926 __ge__(Direction self, Direction o) -> bool
2927 __ge__(Direction self, Particle d) -> bool
2929 return _IMP_core.Direction___ge__(self, *args)
2931 def __gt__(self, *args):
2933 __gt__(Direction self, Direction o) -> bool
2934 __gt__(Direction self, Particle d) -> bool
2936 return _IMP_core.Direction___gt__(self, *args)
2939 r"""__hash__(Direction self) -> std::size_t"""
2940 return _IMP_core.Direction___hash__(self)
2943 r"""__str__(Direction self) -> std::string"""
2944 return _IMP_core.Direction___str__(self)
2947 r"""__repr__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___repr__(self)
2950 def _get_as_binary(self):
2951 r"""_get_as_binary(Direction self) -> PyObject *"""
2952 return _IMP_core.Direction__get_as_binary(self)
2954 def _set_from_binary(self, p):
2955 r"""_set_from_binary(Direction self, PyObject * p)"""
2956 return _IMP_core.Direction__set_from_binary(self, p)
2958 def __getstate__(self):
2959 p = self._get_as_binary()
2960 if len(self.__dict__) > 1:
2961 d = self.__dict__.copy()
2966 def __setstate__(self, p):
2967 if not hasattr(self,
'this'):
2969 if isinstance(p, tuple):
2971 self.__dict__.update(d)
2972 return self._set_from_binary(p)
2974 __swig_destroy__ = _IMP_core.delete_Direction
2977 _IMP_core.Direction_swigregister(Direction)
2980 r"""get_angle(Direction a, Direction b) -> double"""
2981 return _IMP_core.get_angle(a, b)
2983 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2987 def __init__(self, *args):
2989 __init__(DirectionAngle self) -> DirectionAngle
2990 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2991 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2993 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2995 def show(self, *args):
2996 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2997 return _IMP_core.DirectionAngle_show(self, *args)
3000 def setup_particle(*args):
3002 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3003 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3004 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3005 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3007 return _IMP_core.DirectionAngle_setup_particle(*args)
3010 def get_is_setup(*args):
3012 get_is_setup(_ParticleAdaptor p) -> bool
3013 get_is_setup(Model m, ParticleIndex pi) -> bool
3015 return _IMP_core.DirectionAngle_get_is_setup(*args)
3018 def get_angle_key():
3019 r"""get_angle_key() -> FloatKey"""
3020 return _IMP_core.DirectionAngle_get_angle_key()
3023 def get_particle_key(i):
3024 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3025 return _IMP_core.DirectionAngle_get_particle_key(i)
3027 def get_particle(self, *args):
3029 get_particle(DirectionAngle self, unsigned int i) -> Particle
3030 get_particle(DirectionAngle self) -> Particle
3032 return _IMP_core.DirectionAngle_get_particle(self, *args)
3034 def get_particle_index(self, *args):
3036 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3037 get_particle_index(DirectionAngle self) -> ParticleIndex
3039 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3042 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3043 return _IMP_core.DirectionAngle_get_angle(self)
3045 def get_angle_derivative(self):
3046 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3049 def add_to_angle_derivative(self, v, d):
3050 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3051 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3053 def add_attribute(self, *args):
3055 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3056 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3057 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3058 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3059 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3060 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3061 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3062 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3063 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3064 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3065 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3066 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3068 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3070 def get_value(self, *args):
3072 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3073 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3074 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3075 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3076 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3077 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3078 get_value(DirectionAngle self, ObjectKey a0) -> Object
3079 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3080 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3081 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3082 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3084 return _IMP_core.DirectionAngle_get_value(self, *args)
3086 def set_value(self, *args):
3088 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3089 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3090 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3091 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3092 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3093 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3094 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3095 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3096 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3097 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3098 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3100 return _IMP_core.DirectionAngle_set_value(self, *args)
3102 def remove_attribute(self, *args):
3104 remove_attribute(DirectionAngle self, FloatKey a0)
3105 remove_attribute(DirectionAngle self, IntKey a0)
3106 remove_attribute(DirectionAngle self, FloatsKey a0)
3107 remove_attribute(DirectionAngle self, IntsKey a0)
3108 remove_attribute(DirectionAngle self, StringKey a0)
3109 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3110 remove_attribute(DirectionAngle self, ObjectKey a0)
3111 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3112 remove_attribute(DirectionAngle self, SparseIntKey a0)
3113 remove_attribute(DirectionAngle self, SparseStringKey a0)
3114 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3116 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3118 def has_attribute(self, *args):
3120 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3121 has_attribute(DirectionAngle self, IntKey a0) -> bool
3122 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3123 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3124 has_attribute(DirectionAngle self, StringKey a0) -> bool
3125 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3126 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3127 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3128 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3129 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3130 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3132 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3134 def get_derivative(self, a0):
3135 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3136 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3139 r"""get_name(DirectionAngle self) -> std::string"""
3140 return _IMP_core.DirectionAngle_get_name(self)
3142 def clear_caches(self):
3143 r"""clear_caches(DirectionAngle self)"""
3144 return _IMP_core.DirectionAngle_clear_caches(self)
3146 def set_name(self, a0):
3147 r"""set_name(DirectionAngle self, std::string a0)"""
3148 return _IMP_core.DirectionAngle_set_name(self, a0)
3151 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3152 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3154 def add_to_derivative(self, a0, a1, a2):
3155 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3156 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3158 def set_is_optimized(self, a0, a1):
3159 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3160 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3162 def get_is_optimized(self, a0):
3163 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3164 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3167 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3168 return _IMP_core.DirectionAngle_get_check_level(self)
3170 def __eq__(self, *args):
3172 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3173 __eq__(DirectionAngle self, Particle d) -> bool
3175 return _IMP_core.DirectionAngle___eq__(self, *args)
3177 def __ne__(self, *args):
3179 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3180 __ne__(DirectionAngle self, Particle d) -> bool
3182 return _IMP_core.DirectionAngle___ne__(self, *args)
3184 def __le__(self, *args):
3186 __le__(DirectionAngle self, DirectionAngle o) -> bool
3187 __le__(DirectionAngle self, Particle d) -> bool
3189 return _IMP_core.DirectionAngle___le__(self, *args)
3191 def __lt__(self, *args):
3193 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3194 __lt__(DirectionAngle self, Particle d) -> bool
3196 return _IMP_core.DirectionAngle___lt__(self, *args)
3198 def __ge__(self, *args):
3200 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3201 __ge__(DirectionAngle self, Particle d) -> bool
3203 return _IMP_core.DirectionAngle___ge__(self, *args)
3205 def __gt__(self, *args):
3207 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3208 __gt__(DirectionAngle self, Particle d) -> bool
3210 return _IMP_core.DirectionAngle___gt__(self, *args)
3213 r"""__hash__(DirectionAngle self) -> std::size_t"""
3214 return _IMP_core.DirectionAngle___hash__(self)
3217 r"""__str__(DirectionAngle self) -> std::string"""
3218 return _IMP_core.DirectionAngle___str__(self)
3221 r"""__repr__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___repr__(self)
3224 def _get_as_binary(self):
3225 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3226 return _IMP_core.DirectionAngle__get_as_binary(self)
3228 def _set_from_binary(self, p):
3229 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3230 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3232 def __getstate__(self):
3233 p = self._get_as_binary()
3234 if len(self.__dict__) > 1:
3235 d = self.__dict__.copy()
3240 def __setstate__(self, p):
3241 if not hasattr(self,
'this'):
3243 if isinstance(p, tuple):
3245 self.__dict__.update(d)
3246 return self._set_from_binary(p)
3248 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3251 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3253 r"""Proxy of C++ IMP::core::Surface class."""
3255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3258 def do_setup_particle(*args):
3260 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3261 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3263 return _IMP_core.Surface_do_setup_particle(*args)
3265 def __init__(self, *args):
3267 __init__(Surface self) -> Surface
3268 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3269 __init__(Surface self, _ParticleAdaptor d) -> Surface
3271 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3273 def show(self, *args):
3274 r"""show(Surface self, _ostream out=std::cout)"""
3275 return _IMP_core.Surface_show(self, *args)
3278 def setup_particle(*args):
3280 setup_particle(Model m, ParticleIndex pi) -> Surface
3281 setup_particle(_ParticleAdaptor pa) -> Surface
3282 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3283 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3284 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3285 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3287 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3289 return _IMP_core.Surface_setup_particle(*args)
3291 def get_normal_x(self):
3292 r"""get_normal_x(Surface self) -> IMP::Float"""
3293 return _IMP_core.Surface_get_normal_x(self)
3295 def set_normal_x(self, t):
3296 r"""set_normal_x(Surface self, IMP::Float t)"""
3297 return _IMP_core.Surface_set_normal_x(self, t)
3299 def get_normal_y(self):
3300 r"""get_normal_y(Surface self) -> IMP::Float"""
3301 return _IMP_core.Surface_get_normal_y(self)
3303 def set_normal_y(self, t):
3304 r"""set_normal_y(Surface self, IMP::Float t)"""
3305 return _IMP_core.Surface_set_normal_y(self, t)
3307 def get_normal_z(self):
3308 r"""get_normal_z(Surface self) -> IMP::Float"""
3309 return _IMP_core.Surface_get_normal_z(self)
3311 def set_normal_z(self, t):
3312 r"""set_normal_z(Surface self, IMP::Float t)"""
3313 return _IMP_core.Surface_set_normal_z(self, t)
3316 def get_is_setup(*args):
3318 get_is_setup(_ParticleAdaptor p) -> bool
3319 get_is_setup(Model m, ParticleIndex pi) -> bool
3321 return _IMP_core.Surface_get_is_setup(*args)
3324 def get_normal_key(i):
3325 r"""get_normal_key(unsigned int i) -> FloatKey"""
3326 return _IMP_core.Surface_get_normal_key(i)
3328 def get_normal_derivative(self, i):
3329 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3330 return _IMP_core.Surface_get_normal_derivative(self, i)
3332 def get_normal_derivatives(self):
3333 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3334 return _IMP_core.Surface_get_normal_derivatives(self)
3336 def add_to_normal_derivative(self, i, v, d):
3337 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3338 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3340 def add_to_normal_derivatives(self, v, d):
3341 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3344 def get_normal_is_optimized(self):
3345 r"""get_normal_is_optimized(Surface self) -> bool"""
3346 return _IMP_core.Surface_get_normal_is_optimized(self)
3348 def set_normal_is_optimized(self, tf):
3349 r"""set_normal_is_optimized(Surface self, bool tf)"""
3350 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3352 def get_normal(self):
3353 r"""get_normal(Surface self) -> Vector3D"""
3354 return _IMP_core.Surface_get_normal(self)
3356 def set_normal(self, normal):
3357 r"""set_normal(Surface self, Vector3D normal)"""
3358 return _IMP_core.Surface_set_normal(self, normal)
3361 r"""reflect(Surface self)"""
3362 return _IMP_core.Surface_reflect(self)
3365 r"""get_height(Surface self, Vector3D v) -> double"""
3366 return _IMP_core.Surface_get_height(self, v)
3369 r"""get_depth(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_depth(self, v)
3372 def get_distance_to(self, v):
3373 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_distance_to(self, v)
3376 def get_distance_to_center(self, v):
3377 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to_center(self, v)
3380 def set_reference_frame(self, rf):
3381 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3382 return _IMP_core.Surface_set_reference_frame(self, rf)
3384 def get_reference_frame(self):
3385 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3386 return _IMP_core.Surface_get_reference_frame(self)
3388 def get_plane(self):
3389 r"""get_plane(Surface self) -> Plane3D"""
3390 return _IMP_core.Surface_get_plane(self)
3392 def add_attribute(self, *args):
3394 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3395 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3396 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3397 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3398 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3399 add_attribute(Surface self, StringKey a0, IMP::String a1)
3400 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3401 add_attribute(Surface self, ObjectKey a0, Object a1)
3402 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3403 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3404 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3405 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3407 return _IMP_core.Surface_add_attribute(self, *args)
3409 def get_value(self, *args):
3411 get_value(Surface self, FloatKey a0) -> IMP::Float
3412 get_value(Surface self, IntKey a0) -> IMP::Int
3413 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3414 get_value(Surface self, IntsKey a0) -> IMP::Ints
3415 get_value(Surface self, StringKey a0) -> IMP::String
3416 get_value(Surface self, ParticleIndexKey a0) -> Particle
3417 get_value(Surface self, ObjectKey a0) -> Object
3418 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3419 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3420 get_value(Surface self, SparseStringKey a0) -> IMP::String
3421 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3423 return _IMP_core.Surface_get_value(self, *args)
3425 def set_value(self, *args):
3427 set_value(Surface self, FloatKey a0, IMP::Float a1)
3428 set_value(Surface self, IntKey a0, IMP::Int a1)
3429 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3430 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3431 set_value(Surface self, StringKey a0, IMP::String a1)
3432 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3433 set_value(Surface self, ObjectKey a0, Object a1)
3434 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3435 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3436 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3437 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3439 return _IMP_core.Surface_set_value(self, *args)
3441 def remove_attribute(self, *args):
3443 remove_attribute(Surface self, FloatKey a0)
3444 remove_attribute(Surface self, IntKey a0)
3445 remove_attribute(Surface self, FloatsKey a0)
3446 remove_attribute(Surface self, IntsKey a0)
3447 remove_attribute(Surface self, StringKey a0)
3448 remove_attribute(Surface self, ParticleIndexKey a0)
3449 remove_attribute(Surface self, ObjectKey a0)
3450 remove_attribute(Surface self, SparseFloatKey a0)
3451 remove_attribute(Surface self, SparseIntKey a0)
3452 remove_attribute(Surface self, SparseStringKey a0)
3453 remove_attribute(Surface self, SparseParticleIndexKey a0)
3455 return _IMP_core.Surface_remove_attribute(self, *args)
3457 def has_attribute(self, *args):
3459 has_attribute(Surface self, FloatKey a0) -> bool
3460 has_attribute(Surface self, IntKey a0) -> bool
3461 has_attribute(Surface self, FloatsKey a0) -> bool
3462 has_attribute(Surface self, IntsKey a0) -> bool
3463 has_attribute(Surface self, StringKey a0) -> bool
3464 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3465 has_attribute(Surface self, ObjectKey a0) -> bool
3466 has_attribute(Surface self, SparseFloatKey a0) -> bool
3467 has_attribute(Surface self, SparseIntKey a0) -> bool
3468 has_attribute(Surface self, SparseStringKey a0) -> bool
3469 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3471 return _IMP_core.Surface_has_attribute(self, *args)
3473 def get_derivative(self, a0):
3474 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3475 return _IMP_core.Surface_get_derivative(self, a0)
3478 r"""get_name(Surface self) -> std::string"""
3479 return _IMP_core.Surface_get_name(self)
3481 def clear_caches(self):
3482 r"""clear_caches(Surface self)"""
3483 return _IMP_core.Surface_clear_caches(self)
3485 def set_name(self, a0):
3486 r"""set_name(Surface self, std::string a0)"""
3487 return _IMP_core.Surface_set_name(self, a0)
3490 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3491 return _IMP_core.Surface_set_check_level(self, a0)
3493 def add_to_derivative(self, a0, a1, a2):
3494 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3495 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3497 def set_is_optimized(self, a0, a1):
3498 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3499 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3501 def get_is_optimized(self, a0):
3502 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3503 return _IMP_core.Surface_get_is_optimized(self, a0)
3506 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3507 return _IMP_core.Surface_get_check_level(self)
3509 def __eq__(self, *args):
3511 __eq__(Surface self, Surface o) -> bool
3512 __eq__(Surface self, Particle d) -> bool
3514 return _IMP_core.Surface___eq__(self, *args)
3516 def __ne__(self, *args):
3518 __ne__(Surface self, Surface o) -> bool
3519 __ne__(Surface self, Particle d) -> bool
3521 return _IMP_core.Surface___ne__(self, *args)
3523 def __le__(self, *args):
3525 __le__(Surface self, Surface o) -> bool
3526 __le__(Surface self, Particle d) -> bool
3528 return _IMP_core.Surface___le__(self, *args)
3530 def __lt__(self, *args):
3532 __lt__(Surface self, Surface o) -> bool
3533 __lt__(Surface self, Particle d) -> bool
3535 return _IMP_core.Surface___lt__(self, *args)
3537 def __ge__(self, *args):
3539 __ge__(Surface self, Surface o) -> bool
3540 __ge__(Surface self, Particle d) -> bool
3542 return _IMP_core.Surface___ge__(self, *args)
3544 def __gt__(self, *args):
3546 __gt__(Surface self, Surface o) -> bool
3547 __gt__(Surface self, Particle d) -> bool
3549 return _IMP_core.Surface___gt__(self, *args)
3552 r"""__hash__(Surface self) -> std::size_t"""
3553 return _IMP_core.Surface___hash__(self)
3556 r"""__str__(Surface self) -> std::string"""
3557 return _IMP_core.Surface___str__(self)
3560 r"""__repr__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___repr__(self)
3563 def _get_as_binary(self):
3564 r"""_get_as_binary(Surface self) -> PyObject *"""
3565 return _IMP_core.Surface__get_as_binary(self)
3567 def _set_from_binary(self, p):
3568 r"""_set_from_binary(Surface self, PyObject * p)"""
3569 return _IMP_core.Surface__set_from_binary(self, p)
3571 def __getstate__(self):
3572 p = self._get_as_binary()
3573 if len(self.__dict__) > 1:
3574 d = self.__dict__.copy()
3579 def __setstate__(self, p):
3580 if not hasattr(self,
'this'):
3582 if isinstance(p, tuple):
3584 self.__dict__.update(d)
3585 return self._set_from_binary(p)
3587 __swig_destroy__ = _IMP_core.delete_Surface
3590 _IMP_core.Surface_swigregister(Surface)
3594 get_height(Surface s, XYZR d) -> double
3595 get_height(Surface s, XYZ d) -> double
3597 return _IMP_core.get_height(*args)
3601 get_depth(Surface s, XYZR d) -> double
3602 get_depth(Surface s, XYZ d) -> double
3604 return _IMP_core.get_depth(*args)
3608 get_distance(XYZ a, XYZ b) -> double
3609 get_distance(XYZR a, XYZR b) -> double
3610 get_distance(Surface s, XYZR d) -> double
3611 get_distance(Surface s, XYZ d) -> double
3613 return _IMP_core.get_distance(*args)
3615 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3617 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3619 def __init__(self, *args):
3621 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3622 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3623 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3625 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3627 def get_geometry(self):
3628 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3629 return _IMP_core.SurfaceGeometry_get_geometry(self)
3631 def set_geometry(self, s):
3632 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3633 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3635 def get_version_info(self):
3636 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3637 return _IMP_core.SurfaceGeometry_get_version_info(self)
3638 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3641 r"""__str__(SurfaceGeometry self) -> std::string"""
3642 return _IMP_core.SurfaceGeometry___str__(self)
3645 r"""__repr__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___repr__(self)
3650 return _object_cast_to_SurfaceGeometry(o)
3654 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3657 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3658 return _IMP_core.create_geometry(*args)
3660 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3664 def __init__(self, s, g):
3665 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3666 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3668 def get_surface(self):
3669 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3670 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3672 def get_geometry(self):
3673 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3676 def do_get_inputs(self):
3677 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3678 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3680 def do_get_outputs(self):
3681 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3684 def get_version_info(self):
3685 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3686 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3687 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3690 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3691 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3694 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3699 return _object_cast_to_SurfaceGeometryConstraint(o)
3703 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3706 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3707 return _IMP_core.get_constrained_surface_geometry(*args)
3709 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3711 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3713 def __init__(self, s, d):
3714 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3715 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3717 def do_get_inputs(self):
3718 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3719 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3721 def do_get_outputs(self):
3722 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3725 def get_version_info(self):
3726 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3727 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3728 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3731 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3732 return _IMP_core.LateralSurfaceConstraint___str__(self)
3735 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3740 return _object_cast_to_LateralSurfaceConstraint(o)
3744 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3746 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3748 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3750 def __init__(self, *args):
3752 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3753 __init__(AngleTripletScore self) -> AngleTripletScore
3755 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3757 def do_get_inputs(self, m, pis):
3758 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3759 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3761 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3762 r"""evaluate_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3763 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3765 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3766 r"""evaluate_indexes_scores(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3769 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3770 r"""evaluate_indexes_delta(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3773 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3774 r"""evaluate_if_good_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3775 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3777 def get_version_info(self):
3778 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3779 return _IMP_core.AngleTripletScore_get_version_info(self)
3780 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3783 r"""__str__(AngleTripletScore self) -> std::string"""
3784 return _IMP_core.AngleTripletScore___str__(self)
3787 r"""__repr__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___repr__(self)
3792 return _object_cast_to_AngleTripletScore(o)
3795 def _get_as_binary(self):
3796 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3797 return _IMP_core.AngleTripletScore__get_as_binary(self)
3799 def _set_from_binary(self, p):
3800 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3801 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3803 def __getstate__(self):
3804 p = self._get_as_binary()
3805 if len(self.__dict__) > 1:
3806 d = self.__dict__.copy()
3811 def __setstate__(self, p):
3812 if not hasattr(self,
'this'):
3814 if isinstance(p, tuple):
3816 self.__dict__.update(d)
3817 return self._set_from_binary(p)
3821 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3823 r"""Proxy of C++ IMP::core::DihedralQuadScore class."""
3825 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3827 def __init__(self, *args):
3829 __init__(DihedralQuadScore self, UnaryFunction f) -> DihedralQuadScore
3830 __init__(DihedralQuadScore self) -> DihedralQuadScore
3832 _IMP_core.DihedralQuadScore_swiginit(self, _IMP_core.new_DihedralQuadScore(*args))
3834 def do_get_inputs(self, m, pis):
3835 r"""do_get_inputs(DihedralQuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3836 return _IMP_core.DihedralQuadScore_do_get_inputs(self, m, pis)
3838 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3839 r"""evaluate_indexes(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3840 return _IMP_core.DihedralQuadScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3842 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3843 r"""evaluate_indexes_scores(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3844 return _IMP_core.DihedralQuadScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3846 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3847 r"""evaluate_indexes_delta(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3848 return _IMP_core.DihedralQuadScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3850 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3851 r"""evaluate_if_good_indexes(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3852 return _IMP_core.DihedralQuadScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3854 def get_version_info(self):
3855 r"""get_version_info(DihedralQuadScore self) -> VersionInfo"""
3856 return _IMP_core.DihedralQuadScore_get_version_info(self)
3857 __swig_destroy__ = _IMP_core.delete_DihedralQuadScore
3860 r"""__str__(DihedralQuadScore self) -> std::string"""
3861 return _IMP_core.DihedralQuadScore___str__(self)
3864 r"""__repr__(DihedralQuadScore self) -> std::string"""
3865 return _IMP_core.DihedralQuadScore___repr__(self)
3869 return _object_cast_to_DihedralQuadScore(o)
3872 def _get_as_binary(self):
3873 r"""_get_as_binary(DihedralQuadScore self) -> PyObject *"""
3874 return _IMP_core.DihedralQuadScore__get_as_binary(self)
3876 def _set_from_binary(self, p):
3877 r"""_set_from_binary(DihedralQuadScore self, PyObject * p)"""
3878 return _IMP_core.DihedralQuadScore__set_from_binary(self, p)
3880 def __getstate__(self):
3881 p = self._get_as_binary()
3882 if len(self.__dict__) > 1:
3883 d = self.__dict__.copy()
3888 def __setstate__(self, p):
3889 if not hasattr(self,
'this'):
3891 if isinstance(p, tuple):
3893 self.__dict__.update(d)
3894 return self._set_from_binary(p)
3898 _IMP_core.DihedralQuadScore_swigregister(DihedralQuadScore)
3899 class BallMover(MonteCarloMover):
3900 r"""Proxy of C++ IMP::core::BallMover class."""
3902 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3904 def __init__(self, *args):
3906 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3907 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3908 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3909 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3910 __init__(BallMover self) -> BallMover
3912 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3914 def set_radius(self, radius):
3915 r"""set_radius(BallMover self, IMP::Float radius)"""
3916 return _IMP_core.BallMover_set_radius(self, radius)
3918 def get_radius(self):
3919 r"""get_radius(BallMover self) -> IMP::Float"""
3920 return _IMP_core.BallMover_get_radius(self)
3923 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3924 return _IMP_core.BallMover_get_indexes(self)
3927 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3928 return _IMP_core.BallMover_get_keys(self)
3930 def get_version_info(self):
3931 r"""get_version_info(BallMover self) -> VersionInfo"""
3932 return _IMP_core.BallMover_get_version_info(self)
3933 __swig_destroy__ = _IMP_core.delete_BallMover
3936 r"""__str__(BallMover self) -> std::string"""
3937 return _IMP_core.BallMover___str__(self)
3940 r"""__repr__(BallMover self) -> std::string"""
3941 return _IMP_core.BallMover___repr__(self)
3945 return _object_cast_to_BallMover(o)
3948 def _get_as_binary(self):
3949 r"""_get_as_binary(BallMover self) -> PyObject *"""
3950 return _IMP_core.BallMover__get_as_binary(self)
3952 def _set_from_binary(self, p):
3953 r"""_set_from_binary(BallMover self, PyObject * p)"""
3954 return _IMP_core.BallMover__set_from_binary(self, p)
3956 def __getstate__(self):
3957 p = self._get_as_binary()
3958 if len(self.__dict__) > 1:
3959 d = self.__dict__.copy()
3964 def __setstate__(self, p):
3965 if not hasattr(self,
'this'):
3967 if isinstance(p, tuple):
3969 self.__dict__.update(d)
3970 return self._set_from_binary(p)
3973 def _get_jax(self, space):
3976 indexes = self.get_indexes()
3977 keys = frozenset(self.get_keys())
3980 elif keys == frozenset(
3984 raise NotImplementedError(
3985 "Only works for XYZ or internal coordinates")
3986 radius = self.get_radius()
3991 def propose_func(jm, key):
3992 key, subkey = jax.random.split(key)
3994 rbs = jm[
'rigid_bodies']
3998 v = get_random_vector_in_3d_sphere(
3999 subkey, radius, shape=val.shape[:-2] + (1,))
4001 rbs.intcoord = space.shift_indexes(val, indexes, v)
4003 jm[
'xyz'] = space.shift_indexes(val, indexes, v)
4005 return self._wrap_jax(init_func, propose_func,
4006 keys=[
'rigid_bodies']
if intcoord
else None)
4010 _IMP_core.BallMover_swigregister(BallMover)
4011 class SerialMover(MonteCarloMover):
4012 r"""Proxy of C++ IMP::core::SerialMover class."""
4014 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4016 def __init__(self, *args):
4018 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
4019 __init__(SerialMover self) -> SerialMover
4021 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
4023 def get_movers(self):
4024 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
4025 return _IMP_core.SerialMover_get_movers(self)
4027 def get_version_info(self):
4028 r"""get_version_info(SerialMover self) -> VersionInfo"""
4029 return _IMP_core.SerialMover_get_version_info(self)
4030 __swig_destroy__ = _IMP_core.delete_SerialMover
4033 r"""__str__(SerialMover self) -> std::string"""
4034 return _IMP_core.SerialMover___str__(self)
4037 r"""__repr__(SerialMover self) -> std::string"""
4038 return _IMP_core.SerialMover___repr__(self)
4042 return _object_cast_to_SerialMover(o)
4045 def _get_as_binary(self):
4046 r"""_get_as_binary(SerialMover self) -> PyObject *"""
4047 return _IMP_core.SerialMover__get_as_binary(self)
4049 def _set_from_binary(self, p):
4050 r"""_set_from_binary(SerialMover self, PyObject * p)"""
4051 return _IMP_core.SerialMover__set_from_binary(self, p)
4053 def __getstate__(self):
4054 p = self._get_as_binary()
4055 if len(self.__dict__) > 1:
4056 d = self.__dict__.copy()
4061 def __setstate__(self, p):
4062 if not hasattr(self,
'this'):
4064 if isinstance(p, tuple):
4066 self.__dict__.update(d)
4067 return self._set_from_binary(p)
4070 def _get_jax(self, space):
4073 import jax.numpy
as jnp
4074 from IMP.core._jax_util
import _SerialMover
4075 movers = [m.get_derived_object()._get_jax(space)
4076 for m
in self.get_movers()]
4078 def sub_propose_func(jm, sms, i):
4079 """Call the propose_func of the ith mover"""
4080 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4081 jm, sms.mover_state[i])
4082 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4083 return jm, sms, ratio
4085 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4086 for i
in range(len(movers))]
4092 key, subkey = jax.random.split(key)
4093 mover_state.append(m.init_func(subkey))
4094 return _SerialMover(
4095 imov=-1, mover_state=mover_state,
4096 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4097 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4099 def reset_stats_func(sms):
4100 sms.mover_state = [m.reset_stats_func(ms)
4101 if m.reset_stats_func
else ms
4102 for (m, ms)
in zip(movers, sms.mover_state)]
4103 sms.proposed_mover_steps = jnp.zeros(len(movers), dtype=int)
4104 sms.accepted_mover_steps = jnp.zeros(len(movers), dtype=int)
4107 def propose_func(jm, sms):
4108 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4109 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4111 def accept_func(sms):
4113 sms.accepted_mover_steps = \
4114 sms.accepted_mover_steps.at[sms.imov].add(1)
4117 def sync_func(imp_mover, sms):
4119 for i, mover
in enumerate(imp_mover.get_movers()):
4120 mover.add_to_statistics(
4121 sms.proposed_mover_steps[i],
4122 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4124 return self._wrap_jax(
4125 init_func, propose_func, accept_func, sync_func,
4126 reset_stats_func=reset_stats_func,
4127 keys=frozenset(x
for m
in movers
for x
in m._keys))
4131 _IMP_core.SerialMover_swigregister(SerialMover)
4132 class SubsetMover(MonteCarloMover):
4133 r"""Proxy of C++ IMP::core::SubsetMover class."""
4135 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4137 def __init__(self, *args):
4139 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4140 __init__(SubsetMover self) -> SubsetMover
4142 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4144 def get_movers(self):
4145 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4146 return _IMP_core.SubsetMover_get_movers(self)
4148 def get_subset_size(self):
4149 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4150 return _IMP_core.SubsetMover_get_subset_size(self)
4152 def get_version_info(self):
4153 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4154 return _IMP_core.SubsetMover_get_version_info(self)
4155 __swig_destroy__ = _IMP_core.delete_SubsetMover
4158 r"""__str__(SubsetMover self) -> std::string"""
4159 return _IMP_core.SubsetMover___str__(self)
4162 r"""__repr__(SubsetMover self) -> std::string"""
4163 return _IMP_core.SubsetMover___repr__(self)
4167 return _object_cast_to_SubsetMover(o)
4170 def _get_as_binary(self):
4171 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4172 return _IMP_core.SubsetMover__get_as_binary(self)
4174 def _set_from_binary(self, p):
4175 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4176 return _IMP_core.SubsetMover__set_from_binary(self, p)
4178 def __getstate__(self):
4179 p = self._get_as_binary()
4180 if len(self.__dict__) > 1:
4181 d = self.__dict__.copy()
4186 def __setstate__(self, p):
4187 if not hasattr(self,
'this'):
4189 if isinstance(p, tuple):
4191 self.__dict__.update(d)
4192 return self._set_from_binary(p)
4196 _IMP_core.SubsetMover_swigregister(SubsetMover)
4197 class DirectionMover(MonteCarloMover):
4198 r"""Proxy of C++ IMP::core::DirectionMover class."""
4200 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4202 def __init__(self, *args):
4204 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4205 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4206 __init__(DirectionMover self) -> DirectionMover
4208 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4210 def set_maximum_rotation(self, mr):
4211 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4212 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4214 def set_reflect_probability(self, rp):
4215 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4216 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4218 def get_maximum_rotation(self):
4219 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4220 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4222 def get_reflect_probability(self):
4223 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4224 return _IMP_core.DirectionMover_get_reflect_probability(self)
4226 def get_direction(self):
4227 r"""get_direction(DirectionMover self) -> Direction"""
4228 return _IMP_core.DirectionMover_get_direction(self)
4230 def get_version_info(self):
4231 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4232 return _IMP_core.DirectionMover_get_version_info(self)
4233 __swig_destroy__ = _IMP_core.delete_DirectionMover
4236 r"""__str__(DirectionMover self) -> std::string"""
4237 return _IMP_core.DirectionMover___str__(self)
4240 r"""__repr__(DirectionMover self) -> std::string"""
4241 return _IMP_core.DirectionMover___repr__(self)
4245 return _object_cast_to_DirectionMover(o)
4248 def _get_as_binary(self):
4249 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4250 return _IMP_core.DirectionMover__get_as_binary(self)
4252 def _set_from_binary(self, p):
4253 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4254 return _IMP_core.DirectionMover__set_from_binary(self, p)
4256 def __getstate__(self):
4257 p = self._get_as_binary()
4258 if len(self.__dict__) > 1:
4259 d = self.__dict__.copy()
4264 def __setstate__(self, p):
4265 if not hasattr(self,
'this'):
4267 if isinstance(p, tuple):
4269 self.__dict__.update(d)
4270 return self._set_from_binary(p)
4274 _IMP_core.DirectionMover_swigregister(DirectionMover)
4275 class SurfaceMover(MonteCarloMover):
4276 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4278 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4280 def __init__(self, *args):
4282 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4283 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4284 __init__(SurfaceMover self) -> SurfaceMover
4286 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4288 def set_maximum_translation(self, mt):
4289 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4290 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4292 def set_maximum_rotation(self, mr):
4293 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4294 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4296 def set_reflect_probability(self, rp):
4297 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4298 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4300 def get_maximum_translation(self):
4301 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4302 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4304 def get_maximum_rotation(self):
4305 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4306 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4308 def get_reflect_probability(self):
4309 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4310 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4312 def get_surface(self):
4313 r"""get_surface(SurfaceMover self) -> Surface"""
4314 return _IMP_core.SurfaceMover_get_surface(self)
4316 def get_version_info(self):
4317 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4318 return _IMP_core.SurfaceMover_get_version_info(self)
4319 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4322 r"""__str__(SurfaceMover self) -> std::string"""
4323 return _IMP_core.SurfaceMover___str__(self)
4326 r"""__repr__(SurfaceMover self) -> std::string"""
4327 return _IMP_core.SurfaceMover___repr__(self)
4331 return _object_cast_to_SurfaceMover(o)
4334 def _get_as_binary(self):
4335 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4336 return _IMP_core.SurfaceMover__get_as_binary(self)
4338 def _set_from_binary(self, p):
4339 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4340 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4342 def __getstate__(self):
4343 p = self._get_as_binary()
4344 if len(self.__dict__) > 1:
4345 d = self.__dict__.copy()
4350 def __setstate__(self, p):
4351 if not hasattr(self,
'this'):
4353 if isinstance(p, tuple):
4355 self.__dict__.update(d)
4356 return self._set_from_binary(p)
4360 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4361 class BoxSweepClosePairsFinder(ClosePairsFinder):
4362 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4367 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4368 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4370 def get_close_pairs(self, *args):
4372 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4373 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4374 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4375 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4377 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4379 def do_get_inputs(self, m, pis):
4380 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4381 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4383 def get_version_info(self):
4384 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4385 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4386 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4389 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4390 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4393 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4394 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4398 return _object_cast_to_BoxSweepClosePairsFinder(o)
4402 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4404 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4406 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4408 def __init__(self, *args):
4410 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4411 __init__(CentroidOfRefined self) -> CentroidOfRefined
4413 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4415 def get_refiner(self):
4416 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4417 return _IMP_core.CentroidOfRefined_get_refiner(self)
4419 def get_weight(self):
4420 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4421 return _IMP_core.CentroidOfRefined_get_weight(self)
4424 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4425 return _IMP_core.CentroidOfRefined_get_keys(self)
4427 def get_is_weight_null(self):
4428 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4429 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4431 def do_get_inputs(self, m, pis):
4432 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4433 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4435 def do_get_outputs(self, m, pis):
4436 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4437 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4439 def get_version_info(self):
4440 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4441 return _IMP_core.CentroidOfRefined_get_version_info(self)
4442 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4445 r"""__str__(CentroidOfRefined self) -> std::string"""
4446 return _IMP_core.CentroidOfRefined___str__(self)
4449 r"""__repr__(CentroidOfRefined self) -> std::string"""
4450 return _IMP_core.CentroidOfRefined___repr__(self)
4454 return _object_cast_to_CentroidOfRefined(o)
4457 def _get_as_binary(self):
4458 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4459 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4461 def _set_from_binary(self, p):
4462 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4463 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4465 def __getstate__(self):
4466 p = self._get_as_binary()
4467 if len(self.__dict__) > 1:
4468 d = self.__dict__.copy()
4473 def __setstate__(self, p):
4474 if not hasattr(self,
'this'):
4476 if isinstance(p, tuple):
4478 self.__dict__.update(d)
4479 return self._set_from_binary(p)
4482 def _get_jax(self, m, indexes):
4483 import jax.numpy
as jnp
4486 for index
in indexes]
4488 def apply_func_unweighted(jm):
4489 for ind, ref
in zip(indexes, refined):
4491 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4494 def apply_func_weighted(jm, weight_key):
4495 for ind, ref
in zip(indexes, refined):
4497 weights = jm[weight_key][ref]
4498 jm[
'xyz'] = xyz.at[ind].set(
4499 jnp.average(xyz[ref], axis=0, weights=weights))
4502 keys = frozenset(self.get_keys())
4504 raise NotImplementedError(
"Only works for XYZ")
4506 if self.get_is_weight_null():
4507 return self._wrap_jax(apply_func_unweighted)
4509 weight_key = self.get_weight()
4510 return self._wrap_jax(
4511 functools.partial(apply_func_weighted,
4512 weight_key=weight_key.get_string()),
4517 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4518 class Centroid(XYZ):
4519 r"""Proxy of C++ IMP::core::Centroid class."""
4521 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4523 def get_constraint(self):
4524 r"""get_constraint(Centroid self) -> Constraint"""
4525 return _IMP_core.Centroid_get_constraint(self)
4527 def __init__(self, *args):
4529 __init__(Centroid self) -> Centroid
4530 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4531 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4533 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4535 def show(self, *args):
4536 r"""show(Centroid self, _ostream out=std::cout)"""
4537 return _IMP_core.Centroid_show(self, *args)
4540 def setup_particle(*args):
4542 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4543 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4544 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4545 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4547 return _IMP_core.Centroid_setup_particle(*args)
4550 def get_is_setup(*args):
4552 get_is_setup(_ParticleAdaptor p) -> bool
4553 get_is_setup(Model m, ParticleIndex pi) -> bool
4555 return _IMP_core.Centroid_get_is_setup(*args)
4557 def add_attribute(self, *args):
4559 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4560 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4561 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4562 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4563 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4564 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4565 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4566 add_attribute(Centroid self, ObjectKey a0, Object a1)
4567 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4568 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4569 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4570 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4572 return _IMP_core.Centroid_add_attribute(self, *args)
4574 def get_value(self, *args):
4576 get_value(Centroid self, FloatKey a0) -> IMP::Float
4577 get_value(Centroid self, IntKey a0) -> IMP::Int
4578 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4579 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4580 get_value(Centroid self, StringKey a0) -> IMP::String
4581 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4582 get_value(Centroid self, ObjectKey a0) -> Object
4583 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4584 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4585 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4586 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4588 return _IMP_core.Centroid_get_value(self, *args)
4590 def set_value(self, *args):
4592 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4593 set_value(Centroid self, IntKey a0, IMP::Int a1)
4594 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4595 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4596 set_value(Centroid self, StringKey a0, IMP::String a1)
4597 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4598 set_value(Centroid self, ObjectKey a0, Object a1)
4599 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4600 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4601 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4602 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4604 return _IMP_core.Centroid_set_value(self, *args)
4606 def remove_attribute(self, *args):
4608 remove_attribute(Centroid self, FloatKey a0)
4609 remove_attribute(Centroid self, IntKey a0)
4610 remove_attribute(Centroid self, FloatsKey a0)
4611 remove_attribute(Centroid self, IntsKey a0)
4612 remove_attribute(Centroid self, StringKey a0)
4613 remove_attribute(Centroid self, ParticleIndexKey a0)
4614 remove_attribute(Centroid self, ObjectKey a0)
4615 remove_attribute(Centroid self, SparseFloatKey a0)
4616 remove_attribute(Centroid self, SparseIntKey a0)
4617 remove_attribute(Centroid self, SparseStringKey a0)
4618 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4620 return _IMP_core.Centroid_remove_attribute(self, *args)
4622 def has_attribute(self, *args):
4624 has_attribute(Centroid self, FloatKey a0) -> bool
4625 has_attribute(Centroid self, IntKey a0) -> bool
4626 has_attribute(Centroid self, FloatsKey a0) -> bool
4627 has_attribute(Centroid self, IntsKey a0) -> bool
4628 has_attribute(Centroid self, StringKey a0) -> bool
4629 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4630 has_attribute(Centroid self, ObjectKey a0) -> bool
4631 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4632 has_attribute(Centroid self, SparseIntKey a0) -> bool
4633 has_attribute(Centroid self, SparseStringKey a0) -> bool
4634 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4636 return _IMP_core.Centroid_has_attribute(self, *args)
4638 def get_derivative(self, a0):
4639 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4640 return _IMP_core.Centroid_get_derivative(self, a0)
4643 r"""get_name(Centroid self) -> std::string"""
4644 return _IMP_core.Centroid_get_name(self)
4646 def clear_caches(self):
4647 r"""clear_caches(Centroid self)"""
4648 return _IMP_core.Centroid_clear_caches(self)
4650 def set_name(self, a0):
4651 r"""set_name(Centroid self, std::string a0)"""
4652 return _IMP_core.Centroid_set_name(self, a0)
4655 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4656 return _IMP_core.Centroid_set_check_level(self, a0)
4658 def add_to_derivative(self, a0, a1, a2):
4659 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4660 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4662 def set_is_optimized(self, a0, a1):
4663 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4664 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4666 def get_is_optimized(self, a0):
4667 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4668 return _IMP_core.Centroid_get_is_optimized(self, a0)
4671 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4672 return _IMP_core.Centroid_get_check_level(self)
4674 def __eq__(self, *args):
4676 __eq__(Centroid self, Centroid o) -> bool
4677 __eq__(Centroid self, Particle d) -> bool
4679 return _IMP_core.Centroid___eq__(self, *args)
4681 def __ne__(self, *args):
4683 __ne__(Centroid self, Centroid o) -> bool
4684 __ne__(Centroid self, Particle d) -> bool
4686 return _IMP_core.Centroid___ne__(self, *args)
4688 def __le__(self, *args):
4690 __le__(Centroid self, Centroid o) -> bool
4691 __le__(Centroid self, Particle d) -> bool
4693 return _IMP_core.Centroid___le__(self, *args)
4695 def __lt__(self, *args):
4697 __lt__(Centroid self, Centroid o) -> bool
4698 __lt__(Centroid self, Particle d) -> bool
4700 return _IMP_core.Centroid___lt__(self, *args)
4702 def __ge__(self, *args):
4704 __ge__(Centroid self, Centroid o) -> bool
4705 __ge__(Centroid self, Particle d) -> bool
4707 return _IMP_core.Centroid___ge__(self, *args)
4709 def __gt__(self, *args):
4711 __gt__(Centroid self, Centroid o) -> bool
4712 __gt__(Centroid self, Particle d) -> bool
4714 return _IMP_core.Centroid___gt__(self, *args)
4717 r"""__hash__(Centroid self) -> std::size_t"""
4718 return _IMP_core.Centroid___hash__(self)
4721 r"""__str__(Centroid self) -> std::string"""
4722 return _IMP_core.Centroid___str__(self)
4725 r"""__repr__(Centroid self) -> std::string"""
4726 return _IMP_core.Centroid___repr__(self)
4728 def _get_as_binary(self):
4729 r"""_get_as_binary(Centroid self) -> PyObject *"""
4730 return _IMP_core.Centroid__get_as_binary(self)
4732 def _set_from_binary(self, p):
4733 r"""_set_from_binary(Centroid self, PyObject * p)"""
4734 return _IMP_core.Centroid__set_from_binary(self, p)
4736 def __getstate__(self):
4737 p = self._get_as_binary()
4738 if len(self.__dict__) > 1:
4739 d = self.__dict__.copy()
4744 def __setstate__(self, p):
4745 if not hasattr(self,
'this'):
4747 if isinstance(p, tuple):
4749 self.__dict__.update(d)
4750 return self._set_from_binary(p)
4752 __swig_destroy__ = _IMP_core.delete_Centroid
4755 _IMP_core.Centroid_swigregister(Centroid)
4757 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4759 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4761 def __init__(self, *args):
4763 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4764 __init__(ChecksScoreState self) -> ChecksScoreState
4766 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4768 def get_number_of_checked(self):
4769 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4770 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4772 def do_before_evaluate(self):
4773 r"""do_before_evaluate(ChecksScoreState self)"""
4774 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4776 def do_after_evaluate(self, da):
4777 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4778 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4780 def do_get_outputs(self):
4781 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4782 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4784 def do_get_inputs(self):
4785 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4786 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4788 def get_version_info(self):
4789 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4790 return _IMP_core.ChecksScoreState_get_version_info(self)
4791 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4794 r"""__str__(ChecksScoreState self) -> std::string"""
4795 return _IMP_core.ChecksScoreState___str__(self)
4798 r"""__repr__(ChecksScoreState self) -> std::string"""
4799 return _IMP_core.ChecksScoreState___repr__(self)
4803 return _object_cast_to_ChecksScoreState(o)
4806 def _get_as_binary(self):
4807 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4808 return _IMP_core.ChecksScoreState__get_as_binary(self)
4810 def _set_from_binary(self, p):
4811 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4812 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4814 def __getstate__(self):
4815 p = self._get_as_binary()
4816 if len(self.__dict__) > 1:
4817 d = self.__dict__.copy()
4822 def __setstate__(self, p):
4823 if not hasattr(self,
'this'):
4825 if isinstance(p, tuple):
4827 self.__dict__.update(d)
4828 return self._set_from_binary(p)
4832 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4834 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4836 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4838 def __init__(self, tr):
4839 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4840 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4842 def do_get_inputs(self, m, pis):
4843 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4844 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4846 def get_version_info(self):
4847 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4848 return _IMP_core.ChildrenRefiner_get_version_info(self)
4849 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4852 r"""__str__(ChildrenRefiner self) -> std::string"""
4853 return _IMP_core.ChildrenRefiner___str__(self)
4856 r"""__repr__(ChildrenRefiner self) -> std::string"""
4857 return _IMP_core.ChildrenRefiner___repr__(self)
4861 return _object_cast_to_ChildrenRefiner(o)
4865 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4867 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4869 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4871 def __init__(self, values, minrange, spacing):
4872 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4873 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4875 def get_version_info(self):
4876 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4877 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4878 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4880 def do_show(self, out):
4881 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4882 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4884 def get_minrange(self):
4885 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4886 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4888 def get_spacing(self):
4889 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4890 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4892 def get_values(self):
4893 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4894 return _IMP_core.ClosedCubicSpline_get_values(self)
4896 def get_second_derivatives(self):
4897 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4898 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4901 r"""__str__(ClosedCubicSpline self) -> std::string"""
4902 return _IMP_core.ClosedCubicSpline___str__(self)
4905 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4906 return _IMP_core.ClosedCubicSpline___repr__(self)
4910 return _object_cast_to_ClosedCubicSpline(o)
4914 import jax.numpy
as jnp
4915 from IMP.core._jax_util
import _spline
4916 def score(feature, minrange, spacing, values, second_derivs):
4918 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4920 highbin = jnp.remainder(lowbin + 1, len(values))
4921 return _spline(feature, minrange, lowbin, highbin, spacing,
4922 values, second_derivs)
4923 return functools.partial(
4924 score, minrange=self.get_minrange(),
4925 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4926 second_derivs=jnp.asarray(self.get_second_derivatives()))
4930 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4932 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4936 def __init__(self, f, r, k=1):
4937 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4938 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4940 def get_close_pairs(self, pp):
4941 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4942 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4944 def create_current_decomposition(self, m, vt):
4945 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4946 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4948 def do_get_inputs(self, m, pis):
4949 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4950 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4952 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4953 r"""evaluate_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4954 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4956 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4957 r"""evaluate_indexes_scores(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4958 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4960 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4961 r"""evaluate_indexes_delta(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4962 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4964 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4965 r"""evaluate_if_good_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4966 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4968 def get_version_info(self):
4969 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4970 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4971 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4974 r"""__str__(KClosePairsPairScore self) -> std::string"""
4975 return _IMP_core.KClosePairsPairScore___str__(self)
4978 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4979 return _IMP_core.KClosePairsPairScore___repr__(self)
4983 return _object_cast_to_KClosePairsPairScore(o)
4987 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4989 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4991 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4993 def __init__(self, f, r, max_distance):
4994 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4995 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4997 def get_close_pairs(self, pp):
4998 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4999 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
5001 def create_current_decomposition(self, m, vt):
5002 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
5003 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
5005 def do_get_inputs(self, m, pis):
5006 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5007 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
5009 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
5010 r"""evaluate_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
5011 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
5013 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
5014 r"""evaluate_indexes_scores(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
5015 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
5017 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
5018 r"""evaluate_indexes_delta(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
5019 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
5021 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
5022 r"""evaluate_if_good_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
5023 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
5025 def get_version_info(self):
5026 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
5027 return _IMP_core.ClosePairsPairScore_get_version_info(self)
5028 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
5031 r"""__str__(ClosePairsPairScore self) -> std::string"""
5032 return _IMP_core.ClosePairsPairScore___str__(self)
5035 r"""__repr__(ClosePairsPairScore self) -> std::string"""
5036 return _IMP_core.ClosePairsPairScore___repr__(self)
5040 return _object_cast_to_ClosePairsPairScore(o)
5044 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
5046 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
5048 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5050 def __init__(self, *args):
5052 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
5053 __init__(ConjugateGradients self) -> ConjugateGradients
5055 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
5057 def set_gradient_threshold(self, t):
5058 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
5059 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
5061 def set_max_change(self, t):
5062 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
5063 return _IMP_core.ConjugateGradients_set_max_change(self, t)
5065 def do_optimize(self, max_steps):
5066 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
5067 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
5069 def get_version_info(self):
5070 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
5071 return _IMP_core.ConjugateGradients_get_version_info(self)
5072 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
5075 r"""__str__(ConjugateGradients self) -> std::string"""
5076 return _IMP_core.ConjugateGradients___str__(self)
5079 r"""__repr__(ConjugateGradients self) -> std::string"""
5080 return _IMP_core.ConjugateGradients___repr__(self)
5084 return _object_cast_to_ConjugateGradients(o)
5087 def _get_as_binary(self):
5088 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
5089 return _IMP_core.ConjugateGradients__get_as_binary(self)
5091 def _set_from_binary(self, p):
5092 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
5093 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
5095 def __getstate__(self):
5096 p = self._get_as_binary()
5097 if len(self.__dict__) > 1:
5098 d = self.__dict__.copy()
5103 def __setstate__(self, p):
5104 if not hasattr(self,
'this'):
5106 if isinstance(p, tuple):
5108 self.__dict__.update(d)
5109 return self._set_from_binary(p)
5113 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5115 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5119 def __init__(self, ps, sc):
5120 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5121 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5123 def get_connected_index_pairs(self):
5124 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5125 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5127 def get_pair_score(self):
5128 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5129 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5131 def do_create_current_decomposition(self):
5132 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5133 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5135 def do_get_inputs(self):
5136 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5137 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5139 def get_version_info(self):
5140 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5141 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5142 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5145 r"""__str__(ConnectivityRestraint self) -> std::string"""
5146 return _IMP_core.ConnectivityRestraint___str__(self)
5149 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5150 return _IMP_core.ConnectivityRestraint___repr__(self)
5154 return _object_cast_to_ConnectivityRestraint(o)
5158 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5160 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5164 def __init__(self, *args):
5166 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5167 __init__(ConstantRestraint self) -> ConstantRestraint
5169 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5171 def do_get_inputs(self):
5172 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5173 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5175 def get_version_info(self):
5176 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5177 return _IMP_core.ConstantRestraint_get_version_info(self)
5178 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5181 r"""__str__(ConstantRestraint self) -> std::string"""
5182 return _IMP_core.ConstantRestraint___str__(self)
5185 r"""__repr__(ConstantRestraint self) -> std::string"""
5186 return _IMP_core.ConstantRestraint___repr__(self)
5190 return _object_cast_to_ConstantRestraint(o)
5193 def _get_as_binary(self):
5194 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5195 return _IMP_core.ConstantRestraint__get_as_binary(self)
5197 def _set_from_binary(self, p):
5198 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5199 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5201 def __getstate__(self):
5202 p = self._get_as_binary()
5203 if len(self.__dict__) > 1:
5204 d = self.__dict__.copy()
5209 def __setstate__(self, p):
5210 if not hasattr(self,
'this'):
5212 if isinstance(p, tuple):
5214 self.__dict__.update(d)
5215 return self._set_from_binary(p)
5219 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5221 r"""Proxy of C++ IMP::core::Cosine class."""
5223 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5225 def __init__(self, *args):
5227 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5228 __init__(Cosine self) -> Cosine
5230 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5232 def get_force_constant(self):
5233 r"""get_force_constant(Cosine self) -> IMP::Float"""
5234 return _IMP_core.Cosine_get_force_constant(self)
5236 def get_periodicity(self):
5237 r"""get_periodicity(Cosine self) -> int"""
5238 return _IMP_core.Cosine_get_periodicity(self)
5240 def get_phase(self):
5241 r"""get_phase(Cosine self) -> IMP::Float"""
5242 return _IMP_core.Cosine_get_phase(self)
5244 def get_version_info(self):
5245 r"""get_version_info(Cosine self) -> VersionInfo"""
5246 return _IMP_core.Cosine_get_version_info(self)
5247 __swig_destroy__ = _IMP_core.delete_Cosine
5249 def do_show(self, out):
5250 r"""do_show(Cosine self, _ostream out)"""
5251 return _IMP_core.Cosine_do_show(self, out)
5254 r"""__str__(Cosine self) -> std::string"""
5255 return _IMP_core.Cosine___str__(self)
5258 r"""__repr__(Cosine self) -> std::string"""
5259 return _IMP_core.Cosine___repr__(self)
5263 return _object_cast_to_Cosine(o)
5266 def _get_as_binary(self):
5267 r"""_get_as_binary(Cosine self) -> PyObject *"""
5268 return _IMP_core.Cosine__get_as_binary(self)
5270 def _set_from_binary(self, p):
5271 r"""_set_from_binary(Cosine self, PyObject * p)"""
5272 return _IMP_core.Cosine__set_from_binary(self, p)
5274 def __getstate__(self):
5275 p = self._get_as_binary()
5276 if len(self.__dict__) > 1:
5277 d = self.__dict__.copy()
5282 def __setstate__(self, p):
5283 if not hasattr(self,
'this'):
5285 if isinstance(p, tuple):
5287 self.__dict__.update(d)
5288 return self._set_from_binary(p)
5292 import jax.numpy
as jnp
5293 def score(val, k, period, phase):
5294 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5295 return functools.partial(score, k=self.get_force_constant(),
5296 period=self.get_periodicity(),
5297 phase=self.get_phase())
5301 _IMP_core.Cosine_swigregister(Cosine)
5303 r"""Proxy of C++ IMP::core::CoverRefined class."""
5305 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5307 def __init__(self, ref, slack=0):
5308 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5309 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5311 def set_slack(self, slack):
5312 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5313 return _IMP_core.CoverRefined_set_slack(self, slack)
5315 def do_get_inputs(self, m, pis):
5316 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5317 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5319 def do_get_outputs(self, m, pis):
5320 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5321 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5323 def get_version_info(self):
5324 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5325 return _IMP_core.CoverRefined_get_version_info(self)
5326 __swig_destroy__ = _IMP_core.delete_CoverRefined
5329 r"""__str__(CoverRefined self) -> std::string"""
5330 return _IMP_core.CoverRefined___str__(self)
5333 r"""__repr__(CoverRefined self) -> std::string"""
5334 return _IMP_core.CoverRefined___repr__(self)
5338 return _object_cast_to_CoverRefined(o)
5342 _IMP_core.CoverRefined_swigregister(CoverRefined)
5344 r"""Proxy of C++ IMP::core::Cover class."""
5346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5348 def get_constraint(self):
5349 r"""get_constraint(Cover self) -> Constraint"""
5350 return _IMP_core.Cover_get_constraint(self)
5352 def __init__(self, *args):
5354 __init__(Cover self) -> Cover
5355 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5356 __init__(Cover self, _ParticleAdaptor d) -> Cover
5358 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5360 def show(self, *args):
5361 r"""show(Cover self, _ostream out=std::cout)"""
5362 return _IMP_core.Cover_show(self, *args)
5365 def setup_particle(*args):
5367 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5368 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5369 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5370 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5372 return _IMP_core.Cover_setup_particle(*args)
5375 def get_is_setup(*args):
5377 get_is_setup(_ParticleAdaptor p) -> bool
5378 get_is_setup(Model m, ParticleIndex pi) -> bool
5380 return _IMP_core.Cover_get_is_setup(*args)
5382 def add_attribute(self, *args):
5384 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5385 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5386 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5387 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5388 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5389 add_attribute(Cover self, StringKey a0, IMP::String a1)
5390 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5391 add_attribute(Cover self, ObjectKey a0, Object a1)
5392 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5393 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5394 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5395 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5397 return _IMP_core.Cover_add_attribute(self, *args)
5399 def get_value(self, *args):
5401 get_value(Cover self, FloatKey a0) -> IMP::Float
5402 get_value(Cover self, IntKey a0) -> IMP::Int
5403 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5404 get_value(Cover self, IntsKey a0) -> IMP::Ints
5405 get_value(Cover self, StringKey a0) -> IMP::String
5406 get_value(Cover self, ParticleIndexKey a0) -> Particle
5407 get_value(Cover self, ObjectKey a0) -> Object
5408 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5409 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5410 get_value(Cover self, SparseStringKey a0) -> IMP::String
5411 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5413 return _IMP_core.Cover_get_value(self, *args)
5415 def set_value(self, *args):
5417 set_value(Cover self, FloatKey a0, IMP::Float a1)
5418 set_value(Cover self, IntKey a0, IMP::Int a1)
5419 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5420 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5421 set_value(Cover self, StringKey a0, IMP::String a1)
5422 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5423 set_value(Cover self, ObjectKey a0, Object a1)
5424 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5425 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5426 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5427 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5429 return _IMP_core.Cover_set_value(self, *args)
5431 def remove_attribute(self, *args):
5433 remove_attribute(Cover self, FloatKey a0)
5434 remove_attribute(Cover self, IntKey a0)
5435 remove_attribute(Cover self, FloatsKey a0)
5436 remove_attribute(Cover self, IntsKey a0)
5437 remove_attribute(Cover self, StringKey a0)
5438 remove_attribute(Cover self, ParticleIndexKey a0)
5439 remove_attribute(Cover self, ObjectKey a0)
5440 remove_attribute(Cover self, SparseFloatKey a0)
5441 remove_attribute(Cover self, SparseIntKey a0)
5442 remove_attribute(Cover self, SparseStringKey a0)
5443 remove_attribute(Cover self, SparseParticleIndexKey a0)
5445 return _IMP_core.Cover_remove_attribute(self, *args)
5447 def has_attribute(self, *args):
5449 has_attribute(Cover self, FloatKey a0) -> bool
5450 has_attribute(Cover self, IntKey a0) -> bool
5451 has_attribute(Cover self, FloatsKey a0) -> bool
5452 has_attribute(Cover self, IntsKey a0) -> bool
5453 has_attribute(Cover self, StringKey a0) -> bool
5454 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5455 has_attribute(Cover self, ObjectKey a0) -> bool
5456 has_attribute(Cover self, SparseFloatKey a0) -> bool
5457 has_attribute(Cover self, SparseIntKey a0) -> bool
5458 has_attribute(Cover self, SparseStringKey a0) -> bool
5459 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5461 return _IMP_core.Cover_has_attribute(self, *args)
5463 def get_derivative(self, a0):
5464 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5465 return _IMP_core.Cover_get_derivative(self, a0)
5468 r"""get_name(Cover self) -> std::string"""
5469 return _IMP_core.Cover_get_name(self)
5471 def clear_caches(self):
5472 r"""clear_caches(Cover self)"""
5473 return _IMP_core.Cover_clear_caches(self)
5475 def set_name(self, a0):
5476 r"""set_name(Cover self, std::string a0)"""
5477 return _IMP_core.Cover_set_name(self, a0)
5480 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5481 return _IMP_core.Cover_set_check_level(self, a0)
5483 def add_to_derivative(self, a0, a1, a2):
5484 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5485 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5487 def set_is_optimized(self, a0, a1):
5488 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5489 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5491 def get_is_optimized(self, a0):
5492 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5493 return _IMP_core.Cover_get_is_optimized(self, a0)
5496 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5497 return _IMP_core.Cover_get_check_level(self)
5499 def __eq__(self, *args):
5501 __eq__(Cover self, Cover o) -> bool
5502 __eq__(Cover self, Particle d) -> bool
5504 return _IMP_core.Cover___eq__(self, *args)
5506 def __ne__(self, *args):
5508 __ne__(Cover self, Cover o) -> bool
5509 __ne__(Cover self, Particle d) -> bool
5511 return _IMP_core.Cover___ne__(self, *args)
5513 def __le__(self, *args):
5515 __le__(Cover self, Cover o) -> bool
5516 __le__(Cover self, Particle d) -> bool
5518 return _IMP_core.Cover___le__(self, *args)
5520 def __lt__(self, *args):
5522 __lt__(Cover self, Cover o) -> bool
5523 __lt__(Cover self, Particle d) -> bool
5525 return _IMP_core.Cover___lt__(self, *args)
5527 def __ge__(self, *args):
5529 __ge__(Cover self, Cover o) -> bool
5530 __ge__(Cover self, Particle d) -> bool
5532 return _IMP_core.Cover___ge__(self, *args)
5534 def __gt__(self, *args):
5536 __gt__(Cover self, Cover o) -> bool
5537 __gt__(Cover self, Particle d) -> bool
5539 return _IMP_core.Cover___gt__(self, *args)
5542 r"""__hash__(Cover self) -> std::size_t"""
5543 return _IMP_core.Cover___hash__(self)
5546 r"""__str__(Cover self) -> std::string"""
5547 return _IMP_core.Cover___str__(self)
5550 r"""__repr__(Cover self) -> std::string"""
5551 return _IMP_core.Cover___repr__(self)
5553 def _get_as_binary(self):
5554 r"""_get_as_binary(Cover self) -> PyObject *"""
5555 return _IMP_core.Cover__get_as_binary(self)
5557 def _set_from_binary(self, p):
5558 r"""_set_from_binary(Cover self, PyObject * p)"""
5559 return _IMP_core.Cover__set_from_binary(self, p)
5561 def __getstate__(self):
5562 p = self._get_as_binary()
5563 if len(self.__dict__) > 1:
5564 d = self.__dict__.copy()
5569 def __setstate__(self, p):
5570 if not hasattr(self,
'this'):
5572 if isinstance(p, tuple):
5574 self.__dict__.update(d)
5575 return self._set_from_binary(p)
5577 __swig_destroy__ = _IMP_core.delete_Cover
5580 _IMP_core.Cover_swigregister(Cover)
5582 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5586 def __init__(self, *args):
5587 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5588 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5590 def do_get_inputs(self, m, pis):
5591 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5592 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5594 def do_get_outputs(self, m, pis):
5595 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5596 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5598 def get_version_info(self):
5599 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5600 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5601 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5604 r"""__str__(DerivativesFromRefined self) -> std::string"""
5605 return _IMP_core.DerivativesFromRefined___str__(self)
5608 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5609 return _IMP_core.DerivativesFromRefined___repr__(self)
5613 return _object_cast_to_DerivativesFromRefined(o)
5617 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5619 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5623 def __init__(self, *args):
5625 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5626 __init__(DerivativesToRefined self) -> DerivativesToRefined
5628 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5630 def do_get_inputs(self, m, pis):
5631 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5632 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5634 def do_get_outputs(self, m, pis):
5635 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5636 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5638 def get_version_info(self):
5639 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5640 return _IMP_core.DerivativesToRefined_get_version_info(self)
5641 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5644 r"""__str__(DerivativesToRefined self) -> std::string"""
5645 return _IMP_core.DerivativesToRefined___str__(self)
5648 r"""__repr__(DerivativesToRefined self) -> std::string"""
5649 return _IMP_core.DerivativesToRefined___repr__(self)
5653 return _object_cast_to_DerivativesToRefined(o)
5656 def _get_as_binary(self):
5657 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5658 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5660 def _set_from_binary(self, p):
5661 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5662 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5664 def __getstate__(self):
5665 p = self._get_as_binary()
5666 if len(self.__dict__) > 1:
5667 d = self.__dict__.copy()
5672 def __setstate__(self, p):
5673 if not hasattr(self,
'this'):
5675 if isinstance(p, tuple):
5677 self.__dict__.update(d)
5678 return self._set_from_binary(p)
5682 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5684 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5686 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5688 def __init__(self, f, sc, diameter):
5689 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5690 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5692 def do_get_inputs(self):
5693 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5694 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5696 def get_version_info(self):
5697 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5698 return _IMP_core.DiameterRestraint_get_version_info(self)
5699 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5701 def do_create_decomposition(self):
5702 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5703 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5705 def do_create_current_decomposition(self):
5706 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5707 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5710 r"""__str__(DiameterRestraint self) -> std::string"""
5711 return _IMP_core.DiameterRestraint___str__(self)
5714 r"""__repr__(DiameterRestraint self) -> std::string"""
5715 return _IMP_core.DiameterRestraint___repr__(self)
5719 return _object_cast_to_DiameterRestraint(o)
5723 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5725 r"""Proxy of C++ IMP::core::Transform class."""
5727 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5729 def __init__(self, *args):
5731 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5732 __init__(Transform self) -> Transform
5734 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5736 def do_get_inputs(self, m, pis):
5737 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5738 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5740 def do_get_outputs(self, m, pis):
5741 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5742 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5744 def get_version_info(self):
5745 r"""get_version_info(Transform self) -> VersionInfo"""
5746 return _IMP_core.Transform_get_version_info(self)
5747 __swig_destroy__ = _IMP_core.delete_Transform
5750 r"""__str__(Transform self) -> std::string"""
5751 return _IMP_core.Transform___str__(self)
5754 r"""__repr__(Transform self) -> std::string"""
5755 return _IMP_core.Transform___repr__(self)
5759 return _object_cast_to_Transform(o)
5762 def _get_as_binary(self):
5763 r"""_get_as_binary(Transform self) -> PyObject *"""
5764 return _IMP_core.Transform__get_as_binary(self)
5766 def _set_from_binary(self, p):
5767 r"""_set_from_binary(Transform self, PyObject * p)"""
5768 return _IMP_core.Transform__set_from_binary(self, p)
5770 def __getstate__(self):
5771 p = self._get_as_binary()
5772 if len(self.__dict__) > 1:
5773 d = self.__dict__.copy()
5778 def __setstate__(self, p):
5779 if not hasattr(self,
'this'):
5781 if isinstance(p, tuple):
5783 self.__dict__.update(d)
5784 return self._set_from_binary(p)
5788 _IMP_core.Transform_swigregister(Transform)
5790 r"""Proxy of C++ IMP::core::Reference class."""
5792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5794 def __init__(self, *args):
5796 __init__(Reference self) -> Reference
5797 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5798 __init__(Reference self, _ParticleAdaptor d) -> Reference
5800 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5802 def show(self, *args):
5803 r"""show(Reference self, _ostream out=std::cout)"""
5804 return _IMP_core.Reference_show(self, *args)
5807 def setup_particle(*args):
5809 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5810 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5812 return _IMP_core.Reference_setup_particle(*args)
5814 def get_reference_particle(self):
5815 r"""get_reference_particle(Reference self) -> Particle"""
5816 return _IMP_core.Reference_get_reference_particle(self)
5819 def get_is_setup(*args):
5821 get_is_setup(_ParticleAdaptor p) -> bool
5822 get_is_setup(Model m, ParticleIndex pi) -> bool
5824 return _IMP_core.Reference_get_is_setup(*args)
5827 def get_reference_key():
5828 r"""get_reference_key() -> ParticleIndexKey"""
5829 return _IMP_core.Reference_get_reference_key()
5831 def add_attribute(self, *args):
5833 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5834 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5835 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5836 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5837 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5838 add_attribute(Reference self, StringKey a0, IMP::String a1)
5839 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5840 add_attribute(Reference self, ObjectKey a0, Object a1)
5841 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5842 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5843 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5844 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5846 return _IMP_core.Reference_add_attribute(self, *args)
5848 def get_value(self, *args):
5850 get_value(Reference self, FloatKey a0) -> IMP::Float
5851 get_value(Reference self, IntKey a0) -> IMP::Int
5852 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5853 get_value(Reference self, IntsKey a0) -> IMP::Ints
5854 get_value(Reference self, StringKey a0) -> IMP::String
5855 get_value(Reference self, ParticleIndexKey a0) -> Particle
5856 get_value(Reference self, ObjectKey a0) -> Object
5857 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5858 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5859 get_value(Reference self, SparseStringKey a0) -> IMP::String
5860 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5862 return _IMP_core.Reference_get_value(self, *args)
5864 def set_value(self, *args):
5866 set_value(Reference self, FloatKey a0, IMP::Float a1)
5867 set_value(Reference self, IntKey a0, IMP::Int a1)
5868 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5869 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5870 set_value(Reference self, StringKey a0, IMP::String a1)
5871 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5872 set_value(Reference self, ObjectKey a0, Object a1)
5873 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5874 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5875 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5876 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5878 return _IMP_core.Reference_set_value(self, *args)
5880 def remove_attribute(self, *args):
5882 remove_attribute(Reference self, FloatKey a0)
5883 remove_attribute(Reference self, IntKey a0)
5884 remove_attribute(Reference self, FloatsKey a0)
5885 remove_attribute(Reference self, IntsKey a0)
5886 remove_attribute(Reference self, StringKey a0)
5887 remove_attribute(Reference self, ParticleIndexKey a0)
5888 remove_attribute(Reference self, ObjectKey a0)
5889 remove_attribute(Reference self, SparseFloatKey a0)
5890 remove_attribute(Reference self, SparseIntKey a0)
5891 remove_attribute(Reference self, SparseStringKey a0)
5892 remove_attribute(Reference self, SparseParticleIndexKey a0)
5894 return _IMP_core.Reference_remove_attribute(self, *args)
5896 def has_attribute(self, *args):
5898 has_attribute(Reference self, FloatKey a0) -> bool
5899 has_attribute(Reference self, IntKey a0) -> bool
5900 has_attribute(Reference self, FloatsKey a0) -> bool
5901 has_attribute(Reference self, IntsKey a0) -> bool
5902 has_attribute(Reference self, StringKey a0) -> bool
5903 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5904 has_attribute(Reference self, ObjectKey a0) -> bool
5905 has_attribute(Reference self, SparseFloatKey a0) -> bool
5906 has_attribute(Reference self, SparseIntKey a0) -> bool
5907 has_attribute(Reference self, SparseStringKey a0) -> bool
5908 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5910 return _IMP_core.Reference_has_attribute(self, *args)
5912 def get_derivative(self, a0):
5913 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5914 return _IMP_core.Reference_get_derivative(self, a0)
5917 r"""get_name(Reference self) -> std::string"""
5918 return _IMP_core.Reference_get_name(self)
5920 def clear_caches(self):
5921 r"""clear_caches(Reference self)"""
5922 return _IMP_core.Reference_clear_caches(self)
5924 def set_name(self, a0):
5925 r"""set_name(Reference self, std::string a0)"""
5926 return _IMP_core.Reference_set_name(self, a0)
5929 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5930 return _IMP_core.Reference_set_check_level(self, a0)
5932 def add_to_derivative(self, a0, a1, a2):
5933 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5934 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5936 def set_is_optimized(self, a0, a1):
5937 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5938 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5940 def get_is_optimized(self, a0):
5941 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5942 return _IMP_core.Reference_get_is_optimized(self, a0)
5945 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5946 return _IMP_core.Reference_get_check_level(self)
5948 def __eq__(self, *args):
5950 __eq__(Reference self, Reference o) -> bool
5951 __eq__(Reference self, Particle d) -> bool
5953 return _IMP_core.Reference___eq__(self, *args)
5955 def __ne__(self, *args):
5957 __ne__(Reference self, Reference o) -> bool
5958 __ne__(Reference self, Particle d) -> bool
5960 return _IMP_core.Reference___ne__(self, *args)
5962 def __le__(self, *args):
5964 __le__(Reference self, Reference o) -> bool
5965 __le__(Reference self, Particle d) -> bool
5967 return _IMP_core.Reference___le__(self, *args)
5969 def __lt__(self, *args):
5971 __lt__(Reference self, Reference o) -> bool
5972 __lt__(Reference self, Particle d) -> bool
5974 return _IMP_core.Reference___lt__(self, *args)
5976 def __ge__(self, *args):
5978 __ge__(Reference self, Reference o) -> bool
5979 __ge__(Reference self, Particle d) -> bool
5981 return _IMP_core.Reference___ge__(self, *args)
5983 def __gt__(self, *args):
5985 __gt__(Reference self, Reference o) -> bool
5986 __gt__(Reference self, Particle d) -> bool
5988 return _IMP_core.Reference___gt__(self, *args)
5991 r"""__hash__(Reference self) -> std::size_t"""
5992 return _IMP_core.Reference___hash__(self)
5995 r"""__str__(Reference self) -> std::string"""
5996 return _IMP_core.Reference___str__(self)
5999 r"""__repr__(Reference self) -> std::string"""
6000 return _IMP_core.Reference___repr__(self)
6002 def _get_as_binary(self):
6003 r"""_get_as_binary(Reference self) -> PyObject *"""
6004 return _IMP_core.Reference__get_as_binary(self)
6006 def _set_from_binary(self, p):
6007 r"""_set_from_binary(Reference self, PyObject * p)"""
6008 return _IMP_core.Reference__set_from_binary(self, p)
6010 def __getstate__(self):
6011 p = self._get_as_binary()
6012 if len(self.__dict__) > 1:
6013 d = self.__dict__.copy()
6018 def __setstate__(self, p):
6019 if not hasattr(self,
'this'):
6021 if isinstance(p, tuple):
6023 self.__dict__.update(d)
6024 return self._set_from_binary(p)
6026 __swig_destroy__ = _IMP_core.delete_Reference
6029 _IMP_core.Reference_swigregister(Reference)
6031 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
6033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6035 def __init__(self, t, r):
6036 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
6037 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
6039 def do_get_inputs(self, m, pis):
6040 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6041 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
6043 def do_get_outputs(self, m, pis):
6044 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6045 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
6047 def get_version_info(self):
6048 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
6049 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
6050 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
6053 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
6054 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
6057 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
6058 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
6062 return _object_cast_to_TransformationAndReflectionSymmetry(o)
6066 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
6068 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
6070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6072 def __init__(self, *args):
6074 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
6075 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
6077 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
6079 def get_transformation(self):
6080 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
6081 return _IMP_core.TransformationSymmetry_get_transformation(self)
6083 def set_transformation(self, t):
6084 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
6085 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
6087 def do_get_inputs(self, m, pis):
6088 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6089 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
6091 def do_get_outputs(self, m, pis):
6092 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6093 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
6095 def get_version_info(self):
6096 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
6097 return _IMP_core.TransformationSymmetry_get_version_info(self)
6098 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6101 r"""__str__(TransformationSymmetry self) -> std::string"""
6102 return _IMP_core.TransformationSymmetry___str__(self)
6105 r"""__repr__(TransformationSymmetry self) -> std::string"""
6106 return _IMP_core.TransformationSymmetry___repr__(self)
6110 return _object_cast_to_TransformationSymmetry(o)
6114 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6115 class TransformationSymmetryMover(MonteCarloMover):
6116 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6120 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6121 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6122 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6124 def set_maximum_translation(self, mt):
6125 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6126 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6128 def set_maximum_rotation(self, mr):
6129 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6130 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6132 def get_maximum_translation(self):
6133 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6134 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6136 def get_maximum_rotation(self):
6137 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6138 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6140 def get_version_info(self):
6141 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6142 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6143 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6146 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6147 return _IMP_core.TransformationSymmetryMover___str__(self)
6150 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6151 return _IMP_core.TransformationSymmetryMover___repr__(self)
6155 return _object_cast_to_TransformationSymmetryMover(o)
6159 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6161 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6163 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6165 def __init__(self, *args):
6167 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6168 __init__(DistancePairScore self) -> DistancePairScore
6170 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6172 def do_get_inputs(self, m, pis):
6173 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6174 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6176 def get_score_functor(self, *args):
6178 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6179 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6181 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6183 def get_version_info(self):
6184 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6185 return _IMP_core.DistancePairScore_get_version_info(self)
6186 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6189 r"""__str__(DistancePairScore self) -> std::string"""
6190 return _IMP_core.DistancePairScore___str__(self)
6193 r"""__repr__(DistancePairScore self) -> std::string"""
6194 return _IMP_core.DistancePairScore___repr__(self)
6198 return _object_cast_to_DistancePairScore(o)
6201 def _get_as_binary(self):
6202 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6203 return _IMP_core.DistancePairScore__get_as_binary(self)
6205 def _set_from_binary(self, p):
6206 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6207 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6209 def __getstate__(self):
6210 p = self._get_as_binary()
6211 if len(self.__dict__) > 1:
6212 d = self.__dict__.copy()
6217 def __setstate__(self, p):
6218 if not hasattr(self,
'this'):
6220 if isinstance(p, tuple):
6222 self.__dict__.update(d)
6223 return self._set_from_binary(p)
6226 def _get_jax(self, m, indexes, space):
6227 import jax.numpy
as jnp
6228 def jax_score(jm, uf):
6229 xyzs = jm[
'xyz'][indexes]
6230 diff = xyzs[:,0] - xyzs[:,1]
6231 drs = space.distance(diff)
6233 sfnc = self.get_score_functor()
6234 uf = sfnc.get_unary_function().get_derived_object()
6235 f = functools.partial(jax_score, uf=uf._get_jax())
6236 return self._wrap_jax(m, f)
6240 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6242 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6246 def __init__(self, *args):
6248 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6249 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6251 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6253 def do_get_inputs(self, m, pis):
6254 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6255 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6257 def get_score_functor(self, *args):
6259 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6260 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6262 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6265 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6266 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6269 r"""get_k(HarmonicDistancePairScore self) -> double"""
6270 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6272 def get_version_info(self):
6273 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6274 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6275 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6278 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6279 return _IMP_core.HarmonicDistancePairScore___str__(self)
6282 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6283 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6287 return _object_cast_to_HarmonicDistancePairScore(o)
6290 def _get_as_binary(self):
6291 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6292 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6294 def _set_from_binary(self, p):
6295 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6296 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6298 def __getstate__(self):
6299 p = self._get_as_binary()
6300 if len(self.__dict__) > 1:
6301 d = self.__dict__.copy()
6306 def __setstate__(self, p):
6307 if not hasattr(self,
'this'):
6309 if isinstance(p, tuple):
6311 self.__dict__.update(d)
6312 return self._set_from_binary(p)
6315 def _get_jax(self, m, indexes, space):
6316 import jax.numpy
as jnp
6317 def jax_harmonic_distance_pair_score(jm, d, k):
6318 xyzs = jm[
'xyz'][indexes]
6319 diff = xyzs[:,0] - xyzs[:,1]
6320 drs = space.distance(diff)
6321 return 0.5 * k * (d - drs)**2
6322 f = functools.partial(jax_harmonic_distance_pair_score,
6323 d=self.get_x0(), k=self.get_k())
6324 return self._wrap_jax(m, f)
6328 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6330 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6332 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6334 def __init__(self, *args):
6336 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6337 __init__(DistanceRestraint self) -> DistanceRestraint
6339 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6341 def get_score_object(self):
6342 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6343 return _IMP_core.DistanceRestraint_get_score_object(self)
6346 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6347 return _IMP_core.DistanceRestraint_get_index(self)
6349 def get_version_info(self):
6350 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6351 return _IMP_core.DistanceRestraint_get_version_info(self)
6352 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6355 r"""__str__(DistanceRestraint self) -> std::string"""
6356 return _IMP_core.DistanceRestraint___str__(self)
6359 r"""__repr__(DistanceRestraint self) -> std::string"""
6360 return _IMP_core.DistanceRestraint___repr__(self)
6364 return _object_cast_to_DistanceRestraint(o)
6367 def _get_as_binary(self):
6368 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6369 return _IMP_core.DistanceRestraint__get_as_binary(self)
6371 def _set_from_binary(self, p):
6372 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6373 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6375 def __getstate__(self):
6376 p = self._get_as_binary()
6377 if len(self.__dict__) > 1:
6378 d = self.__dict__.copy()
6383 def __setstate__(self, p):
6384 if not hasattr(self,
'this'):
6386 if isinstance(p, tuple):
6388 self.__dict__.update(d)
6389 return self._set_from_binary(p)
6392 def _get_jax(self, space):
6393 import jax.numpy
as jnp
6394 import IMP._jax_util
6395 ps = self.get_score_object()
6396 indexes = jnp.array([self.get_index()])
6397 ji = ps._get_jax(self.get_model(), indexes, space=space)
6399 return jnp.sum(ji.score_func(jm), axis=-1)
6400 return self._wrap_jax(score)
6404 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6406 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6408 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6410 def __init__(self, f, pt):
6411 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6412 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6414 def do_get_inputs(self, m, pis):
6415 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6416 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6418 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6419 r"""evaluate_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6420 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6422 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6423 r"""evaluate_indexes_scores(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6424 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6426 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6427 r"""evaluate_indexes_delta(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6428 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6430 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6431 r"""evaluate_if_good_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6432 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6434 def get_version_info(self):
6435 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6436 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6437 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6440 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6441 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6444 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6445 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6449 return _object_cast_to_SphereDistanceToSingletonScore(o)
6453 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6455 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6457 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6459 def __init__(self, *args):
6460 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6461 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6463 def get_score_object(self):
6464 r"""get_score_object(ExcludedVolumeRestraint self) -> SoftSpherePairScore"""
6465 return _IMP_core.ExcludedVolumeRestraint_get_score_object(self)
6467 def get_container(self):
6468 r"""get_container(ExcludedVolumeRestraint self) -> SingletonContainer"""
6469 return _IMP_core.ExcludedVolumeRestraint_get_container(self)
6471 def do_get_inputs(self):
6472 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6473 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6475 def get_version_info(self):
6476 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6477 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6478 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6480 def do_create_decomposition(self):
6481 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6482 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6484 def do_create_current_decomposition(self):
6485 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6486 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6489 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6490 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6491 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
6492 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6493 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6494 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6496 def remove_pair_filter(self, d):
6497 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6498 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6500 def _python_index_pair_filter(self, d, start, stop):
6501 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6502 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6504 def remove_pair_filters(self, d):
6505 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6506 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6508 def set_pair_filters(self, ps):
6509 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6510 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6512 def set_pair_filters_order(self, objs):
6513 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6514 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6516 def add_pair_filter(self, obj):
6517 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6518 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6520 def add_pair_filters(self, objs):
6521 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6522 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6524 def clear_pair_filters(self):
6525 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6526 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6528 def get_number_of_pair_filters(self):
6529 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6530 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6532 def get_has_pair_filters(self):
6533 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6534 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6536 def get_pair_filter(self, i):
6537 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6538 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6540 def get_pair_filters(self):
6541 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6542 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6544 def erase_pair_filter(self, i):
6545 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6546 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6548 def reserve_pair_filters(self, sz):
6549 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6550 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6553 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6554 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6557 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6558 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6562 return _object_cast_to_ExcludedVolumeRestraint(o)
6565 def _get_jax(self, space):
6566 import jax.numpy
as jnp
6572 c.pair_filters.extend(self.pair_filters)
6573 indexes = c._get_static_contents()
6575 score = self.get_score_object().get_derived_object()
6576 ji = score._get_jax(self.get_model(), indexes, space)
6577 score_jax = ji.score_func
6579 def jax_restraint(jm):
6580 return jnp.sum(score_jax(jm), axis=-1)
6581 return self._wrap_jax(jax_restraint, keys=ji._keys)
6585 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6587 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6591 def __init__(self, *args):
6593 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6594 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6595 __init__(FixedRefiner self) -> FixedRefiner
6597 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6599 def do_get_inputs(self, m, pis):
6600 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6601 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6603 def get_version_info(self):
6604 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6605 return _IMP_core.FixedRefiner_get_version_info(self)
6606 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6609 r"""__str__(FixedRefiner self) -> std::string"""
6610 return _IMP_core.FixedRefiner___str__(self)
6613 r"""__repr__(FixedRefiner self) -> std::string"""
6614 return _IMP_core.FixedRefiner___repr__(self)
6618 return _object_cast_to_FixedRefiner(o)
6621 def _get_as_binary(self):
6622 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6623 return _IMP_core.FixedRefiner__get_as_binary(self)
6625 def _set_from_binary(self, p):
6626 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6627 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6629 def __getstate__(self):
6630 p = self._get_as_binary()
6631 if len(self.__dict__) > 1:
6632 d = self.__dict__.copy()
6637 def __setstate__(self, p):
6638 if not hasattr(self,
'this'):
6640 if isinstance(p, tuple):
6642 self.__dict__.update(d)
6643 return self._set_from_binary(p)
6647 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6648 class GridClosePairsFinder(ClosePairsFinder):
6649 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6651 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6654 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6655 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6657 def get_close_pairs(self, *args):
6659 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6660 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6661 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6662 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6664 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6666 def do_get_inputs(self, m, pis):
6667 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6668 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6670 def get_version_info(self):
6671 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6672 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6673 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6676 r"""__str__(GridClosePairsFinder self) -> std::string"""
6677 return _IMP_core.GridClosePairsFinder___str__(self)
6680 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6681 return _IMP_core.GridClosePairsFinder___repr__(self)
6685 return _object_cast_to_GridClosePairsFinder(o)
6688 def _get_as_binary(self):
6689 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6690 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6692 def _set_from_binary(self, p):
6693 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6694 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6696 def __getstate__(self):
6697 p = self._get_as_binary()
6698 if len(self.__dict__) > 1:
6699 d = self.__dict__.copy()
6704 def __setstate__(self, p):
6705 if not hasattr(self,
'this'):
6707 if isinstance(p, tuple):
6709 self.__dict__.update(d)
6710 return self._set_from_binary(p)
6714 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6716 r"""Proxy of C++ IMP::core::Harmonic class."""
6718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6720 def __init__(self, *args):
6722 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6723 __init__(Harmonic self) -> Harmonic
6725 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6727 def get_version_info(self):
6728 r"""get_version_info(Harmonic self) -> VersionInfo"""
6729 return _IMP_core.Harmonic_get_version_info(self)
6730 __swig_destroy__ = _IMP_core.delete_Harmonic
6733 r"""get_mean(Harmonic self) -> IMP::Float"""
6734 return _IMP_core.Harmonic_get_mean(self)
6737 r"""get_k(Harmonic self) -> IMP::Float"""
6738 return _IMP_core.Harmonic_get_k(self)
6740 def set_mean(self, mean):
6741 r"""set_mean(Harmonic self, IMP::Float mean)"""
6742 return _IMP_core.Harmonic_set_mean(self, mean)
6745 r"""set_k(Harmonic self, IMP::Float k)"""
6746 return _IMP_core.Harmonic_set_k(self, k)
6749 def get_k_from_standard_deviation(sd, t=297.15):
6750 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6751 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6754 r"""__str__(Harmonic self) -> std::string"""
6755 return _IMP_core.Harmonic___str__(self)
6758 r"""__repr__(Harmonic self) -> std::string"""
6759 return _IMP_core.Harmonic___repr__(self)
6763 return _object_cast_to_Harmonic(o)
6766 def _get_as_binary(self):
6767 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6768 return _IMP_core.Harmonic__get_as_binary(self)
6770 def _set_from_binary(self, p):
6771 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6772 return _IMP_core.Harmonic__set_from_binary(self, p)
6774 def __getstate__(self):
6775 p = self._get_as_binary()
6776 if len(self.__dict__) > 1:
6777 d = self.__dict__.copy()
6782 def __setstate__(self, p):
6783 if not hasattr(self,
'this'):
6785 if isinstance(p, tuple):
6787 self.__dict__.update(d)
6788 return self._set_from_binary(p)
6792 def score(val, mean, k):
6793 return 0.5 * k * (mean - val) ** 2
6794 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6798 _IMP_core.Harmonic_swigregister(Harmonic)
6800 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6802 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6804 def __init__(self, well, k):
6805 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6806 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6809 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6810 return _IMP_core.HarmonicWell_get_well(self)
6813 r"""get_k(HarmonicWell self) -> double"""
6814 return _IMP_core.HarmonicWell_get_k(self)
6816 def get_version_info(self):
6817 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6818 return _IMP_core.HarmonicWell_get_version_info(self)
6819 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6822 r"""__str__(HarmonicWell self) -> std::string"""
6823 return _IMP_core.HarmonicWell___str__(self)
6826 r"""__repr__(HarmonicWell self) -> std::string"""
6827 return _IMP_core.HarmonicWell___repr__(self)
6831 return _object_cast_to_HarmonicWell(o)
6835 import jax.numpy
as jnp
6836 def score(val, lb, ub, k):
6837 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6838 well = self.get_well()
6839 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6843 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6844 class HarmonicLowerBound(Harmonic):
6845 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6847 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6849 def __init__(self, *args):
6851 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6852 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6854 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6855 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6858 r"""__str__(HarmonicLowerBound self) -> std::string"""
6859 return _IMP_core.HarmonicLowerBound___str__(self)
6862 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6863 return _IMP_core.HarmonicLowerBound___repr__(self)
6867 return _object_cast_to_HarmonicLowerBound(o)
6870 def _get_as_binary(self):
6871 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6872 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6874 def _set_from_binary(self, p):
6875 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6876 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6878 def __getstate__(self):
6879 p = self._get_as_binary()
6880 if len(self.__dict__) > 1:
6881 d = self.__dict__.copy()
6886 def __setstate__(self, p):
6887 if not hasattr(self,
'this'):
6889 if isinstance(p, tuple):
6891 self.__dict__.update(d)
6892 return self._set_from_binary(p)
6897 def score(val, mean, k):
6898 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6899 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6903 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6904 class HarmonicUpperBound(Harmonic):
6905 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6907 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6909 def __init__(self, *args):
6911 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6912 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6914 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6915 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6918 r"""__str__(HarmonicUpperBound self) -> std::string"""
6919 return _IMP_core.HarmonicUpperBound___str__(self)
6922 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6923 return _IMP_core.HarmonicUpperBound___repr__(self)
6927 return _object_cast_to_HarmonicUpperBound(o)
6930 def _get_as_binary(self):
6931 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6932 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6934 def _set_from_binary(self, p):
6935 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6936 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6938 def __getstate__(self):
6939 p = self._get_as_binary()
6940 if len(self.__dict__) > 1:
6941 d = self.__dict__.copy()
6946 def __setstate__(self, p):
6947 if not hasattr(self,
'this'):
6949 if isinstance(p, tuple):
6951 self.__dict__.update(d)
6952 return self._set_from_binary(p)
6957 def score(val, mean, k):
6958 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6959 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6963 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6965 r"""Proxy of C++ IMP::core::WeightedSum class."""
6967 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6969 def __init__(self, funcs, weights):
6970 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6971 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6973 def get_function_number(self):
6974 r"""get_function_number(WeightedSum self) -> unsigned int"""
6975 return _IMP_core.WeightedSum_get_function_number(self)
6977 def set_weights(self, weights):
6978 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6979 return _IMP_core.WeightedSum_set_weights(self, weights)
6981 def get_weights(self):
6982 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6983 return _IMP_core.WeightedSum_get_weights(self)
6985 def get_weight(self, i):
6986 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6987 return _IMP_core.WeightedSum_get_weight(self, i)
6989 def get_function(self, i):
6990 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6991 return _IMP_core.WeightedSum_get_function(self, i)
6993 def get_version_info(self):
6994 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6995 return _IMP_core.WeightedSum_get_version_info(self)
6996 __swig_destroy__ = _IMP_core.delete_WeightedSum
6999 r"""__str__(WeightedSum self) -> std::string"""
7000 return _IMP_core.WeightedSum___str__(self)
7003 r"""__repr__(WeightedSum self) -> std::string"""
7004 return _IMP_core.WeightedSum___repr__(self)
7008 return _object_cast_to_WeightedSum(o)
7012 import jax.numpy
as jnp
7013 def score(val, funcs, weights):
7014 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
7015 nfunc = self.get_function_number()
7016 funcs = [self.get_function(i).get_derived_object()._get_jax()
7017 for i
in range(nfunc)]
7018 return functools.partial(score, funcs=funcs,
7019 weights=self.get_weights())
7023 _IMP_core.WeightedSum_swigregister(WeightedSum)
7025 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
7027 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7029 def __init__(self, funcs, weights, denom=1.0):
7030 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
7031 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
7033 def get_function_number(self):
7034 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
7035 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
7037 def set_weights(self, weights):
7038 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
7039 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
7041 def get_weights(self):
7042 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
7043 return _IMP_core.WeightedSumOfExponential_get_weights(self)
7045 def get_weight(self, i):
7046 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
7047 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
7049 def get_function(self, i):
7050 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
7051 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
7053 def set_denominator(self, denom):
7054 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
7055 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
7057 def get_denominator(self):
7058 r"""get_denominator(WeightedSumOfExponential self) -> double"""
7059 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
7061 def get_version_info(self):
7062 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
7063 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
7064 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
7067 r"""__str__(WeightedSumOfExponential self) -> std::string"""
7068 return _IMP_core.WeightedSumOfExponential___str__(self)
7071 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
7072 return _IMP_core.WeightedSumOfExponential___repr__(self)
7076 return _object_cast_to_WeightedSumOfExponential(o)
7080 import jax.numpy
as jnp
7081 def score(val, funcs, weights, denom):
7082 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
7083 for (f, weight)
in zip(funcs, weights))
7084 return -jnp.log(exp_sum) * denom
7085 nfunc = self.get_function_number()
7086 funcs = [self.get_function(i).get_derived_object()._get_jax()
7087 for i
in range(nfunc)]
7088 return functools.partial(score, funcs=funcs,
7089 weights=self.get_weights(),
7090 denom=self.get_denominator())
7094 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7096 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7100 def __init__(self, m, ps, eps=0.1):
7101 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7102 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7104 def add_type(self, ps):
7105 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7106 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7108 def add_composite(self, *args):
7110 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7111 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7113 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7115 def get_connected_pairs(self):
7116 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7117 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7119 def get_pair_score(self):
7120 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7121 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7123 def do_create_current_decomposition(self):
7124 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7125 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7127 def do_get_inputs(self):
7128 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7129 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7131 def get_version_info(self):
7132 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7133 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7134 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7137 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7138 return _IMP_core.MSConnectivityRestraint___str__(self)
7141 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7142 return _IMP_core.MSConnectivityRestraint___repr__(self)
7146 return _object_cast_to_MSConnectivityRestraint(o)
7150 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7151 class HierarchyTraits(object):
7152 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7154 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7156 def __init__(self, *args):
7158 __init__(HierarchyTraits self) -> HierarchyTraits
7159 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7161 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7163 def get_children_key(self):
7164 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7165 return _IMP_core.HierarchyTraits_get_children_key(self)
7167 def get_parent_key(self):
7168 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7169 return _IMP_core.HierarchyTraits_get_parent_key(self)
7171 def __eq__(self, o):
7172 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7173 return _IMP_core.HierarchyTraits___eq__(self, o)
7175 def show(self, *args):
7176 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7177 return _IMP_core.HierarchyTraits_show(self, *args)
7180 r"""__str__(HierarchyTraits self) -> std::string"""
7181 return _IMP_core.HierarchyTraits___str__(self)
7184 r"""__repr__(HierarchyTraits self) -> std::string"""
7185 return _IMP_core.HierarchyTraits___repr__(self)
7186 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7189 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7191 r"""Proxy of C++ IMP::core::Hierarchy class."""
7193 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7195 def get_decorator_traits(self):
7196 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7197 return _IMP_core.Hierarchy_get_decorator_traits(self)
7200 def get_default_decorator_traits():
7201 r"""get_default_decorator_traits() -> HierarchyTraits"""
7202 return _IMP_core.Hierarchy_get_default_decorator_traits()
7204 def __init__(self, *args):
7206 __init__(Hierarchy self) -> Hierarchy
7207 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7208 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7210 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7212 def show(self, *args):
7213 r"""show(Hierarchy self, _ostream out=std::cout)"""
7214 return _IMP_core.Hierarchy_show(self, *args)
7217 def setup_particle(*args):
7219 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7220 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7221 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7222 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7223 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7224 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7226 return _IMP_core.Hierarchy_setup_particle(*args)
7229 def get_is_setup(*args):
7231 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7232 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7234 return _IMP_core.Hierarchy_get_is_setup(*args)
7237 def get_changed_key():
7238 r"""get_changed_key() -> TriggerKey"""
7239 return _IMP_core.Hierarchy_get_changed_key()
7241 def get_parent(self):
7242 r"""get_parent(Hierarchy self) -> Hierarchy"""
7243 return _IMP_core.Hierarchy_get_parent(self)
7245 def get_number_of_children(self):
7246 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7247 return _IMP_core.Hierarchy_get_number_of_children(self)
7249 def get_child(self, i):
7250 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7251 return _IMP_core.Hierarchy_get_child(self, i)
7253 def get_children_indexes(self):
7254 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7255 return _IMP_core.Hierarchy_get_children_indexes(self)
7257 def get_children(self):
7258 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7259 return _IMP_core.Hierarchy_get_children(self)
7261 def remove_child(self, *args):
7263 remove_child(Hierarchy self, unsigned int i)
7264 remove_child(Hierarchy self, Hierarchy h)
7266 return _IMP_core.Hierarchy_remove_child(self, *args)
7268 def clear_children(self):
7269 r"""clear_children(Hierarchy self)"""
7270 return _IMP_core.Hierarchy_clear_children(self)
7272 def add_child(self, h):
7273 r"""add_child(Hierarchy self, Hierarchy h)"""
7274 return _IMP_core.Hierarchy_add_child(self, h)
7276 def add_child_at(self, h, pos):
7277 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7278 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7280 def get_child_index(self, *args):
7282 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7283 get_child_index(Hierarchy self) -> int
7285 return _IMP_core.Hierarchy_get_child_index(self, *args)
7288 def get_default_traits():
7289 r"""get_default_traits() -> HierarchyTraits"""
7290 return _IMP_core.Hierarchy_get_default_traits()
7292 def get_traits(self):
7293 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7294 return _IMP_core.Hierarchy_get_traits(self)
7296 def add_attribute(self, *args):
7298 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7299 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7300 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7301 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7302 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7303 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7304 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7305 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7306 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7307 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7308 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7309 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7311 return _IMP_core.Hierarchy_add_attribute(self, *args)
7313 def get_value(self, *args):
7315 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7316 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7317 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7318 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7319 get_value(Hierarchy self, StringKey a0) -> IMP::String
7320 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7321 get_value(Hierarchy self, ObjectKey a0) -> Object
7322 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7323 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7324 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7325 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7327 return _IMP_core.Hierarchy_get_value(self, *args)
7329 def set_value(self, *args):
7331 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7332 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7333 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7334 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7335 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7336 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7337 set_value(Hierarchy self, ObjectKey a0, Object a1)
7338 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7339 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7340 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7341 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7343 return _IMP_core.Hierarchy_set_value(self, *args)
7345 def remove_attribute(self, *args):
7347 remove_attribute(Hierarchy self, FloatKey a0)
7348 remove_attribute(Hierarchy self, IntKey a0)
7349 remove_attribute(Hierarchy self, FloatsKey a0)
7350 remove_attribute(Hierarchy self, IntsKey a0)
7351 remove_attribute(Hierarchy self, StringKey a0)
7352 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7353 remove_attribute(Hierarchy self, ObjectKey a0)
7354 remove_attribute(Hierarchy self, SparseFloatKey a0)
7355 remove_attribute(Hierarchy self, SparseIntKey a0)
7356 remove_attribute(Hierarchy self, SparseStringKey a0)
7357 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7359 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7361 def has_attribute(self, *args):
7363 has_attribute(Hierarchy self, FloatKey a0) -> bool
7364 has_attribute(Hierarchy self, IntKey a0) -> bool
7365 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7366 has_attribute(Hierarchy self, IntsKey a0) -> bool
7367 has_attribute(Hierarchy self, StringKey a0) -> bool
7368 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7369 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7370 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7371 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7372 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7373 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7375 return _IMP_core.Hierarchy_has_attribute(self, *args)
7377 def get_derivative(self, a0):
7378 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7379 return _IMP_core.Hierarchy_get_derivative(self, a0)
7382 r"""get_name(Hierarchy self) -> std::string"""
7383 return _IMP_core.Hierarchy_get_name(self)
7385 def clear_caches(self):
7386 r"""clear_caches(Hierarchy self)"""
7387 return _IMP_core.Hierarchy_clear_caches(self)
7389 def set_name(self, a0):
7390 r"""set_name(Hierarchy self, std::string a0)"""
7391 return _IMP_core.Hierarchy_set_name(self, a0)
7394 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7395 return _IMP_core.Hierarchy_set_check_level(self, a0)
7397 def add_to_derivative(self, a0, a1, a2):
7398 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7399 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7401 def set_is_optimized(self, a0, a1):
7402 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7403 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7405 def get_is_optimized(self, a0):
7406 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7407 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7410 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7411 return _IMP_core.Hierarchy_get_check_level(self)
7413 def __eq__(self, *args):
7415 __eq__(Hierarchy self, Hierarchy o) -> bool
7416 __eq__(Hierarchy self, Particle d) -> bool
7418 return _IMP_core.Hierarchy___eq__(self, *args)
7420 def __ne__(self, *args):
7422 __ne__(Hierarchy self, Hierarchy o) -> bool
7423 __ne__(Hierarchy self, Particle d) -> bool
7425 return _IMP_core.Hierarchy___ne__(self, *args)
7427 def __le__(self, *args):
7429 __le__(Hierarchy self, Hierarchy o) -> bool
7430 __le__(Hierarchy self, Particle d) -> bool
7432 return _IMP_core.Hierarchy___le__(self, *args)
7434 def __lt__(self, *args):
7436 __lt__(Hierarchy self, Hierarchy o) -> bool
7437 __lt__(Hierarchy self, Particle d) -> bool
7439 return _IMP_core.Hierarchy___lt__(self, *args)
7441 def __ge__(self, *args):
7443 __ge__(Hierarchy self, Hierarchy o) -> bool
7444 __ge__(Hierarchy self, Particle d) -> bool
7446 return _IMP_core.Hierarchy___ge__(self, *args)
7448 def __gt__(self, *args):
7450 __gt__(Hierarchy self, Hierarchy o) -> bool
7451 __gt__(Hierarchy self, Particle d) -> bool
7453 return _IMP_core.Hierarchy___gt__(self, *args)
7456 r"""__hash__(Hierarchy self) -> std::size_t"""
7457 return _IMP_core.Hierarchy___hash__(self)
7460 r"""__str__(Hierarchy self) -> std::string"""
7461 return _IMP_core.Hierarchy___str__(self)
7464 r"""__repr__(Hierarchy self) -> std::string"""
7465 return _IMP_core.Hierarchy___repr__(self)
7466 __swig_destroy__ = _IMP_core.delete_Hierarchy
7469 _IMP_core.Hierarchy_swigregister(Hierarchy)
7470 class HierarchyVisitor(object):
7471 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7474 __repr__ = _swig_repr
7477 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7478 if self.__class__ == HierarchyVisitor:
7482 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7484 if self.__class__ != HierarchyVisitor:
7485 _director_objects.register(self)
7490 def __call__(self, p):
7491 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7492 return _IMP_core.HierarchyVisitor___call__(self, p)
7493 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7494 def __disown__(self):
7496 _IMP_core.disown_HierarchyVisitor(self)
7497 return weakref.proxy(self)
7500 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7501 class ModifierVisitor(HierarchyVisitor):
7502 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7504 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7505 __repr__ = _swig_repr
7507 def __init__(self, sm):
7508 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7509 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7510 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7513 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7514 class HierarchyCounter(HierarchyVisitor):
7515 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7517 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7520 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7521 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7523 def get_count(self):
7524 r"""get_count(HierarchyCounter self) -> unsigned int"""
7525 return _IMP_core.HierarchyCounter_get_count(self)
7527 def show(self, *args):
7528 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7529 return _IMP_core.HierarchyCounter_show(self, *args)
7532 r"""__str__(HierarchyCounter self) -> std::string"""
7533 return _IMP_core.HierarchyCounter___str__(self)
7536 r"""__repr__(HierarchyCounter self) -> std::string"""
7537 return _IMP_core.HierarchyCounter___repr__(self)
7539 def _get_as_binary(self):
7540 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7541 return _IMP_core.HierarchyCounter__get_as_binary(self)
7543 def _set_from_binary(self, p):
7544 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7545 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7547 def __getstate__(self):
7548 p = self._get_as_binary()
7549 if len(self.__dict__) > 1:
7550 d = self.__dict__.copy()
7555 def __setstate__(self, p):
7556 if not hasattr(self,
'this'):
7558 if isinstance(p, tuple):
7560 self.__dict__.update(d)
7561 return self._set_from_binary(p)
7563 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7566 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7569 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7570 return _IMP_core.get_leaves(mhd)
7573 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7574 return _IMP_core.get_internal(mhd)
7577 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7578 return _IMP_core.get_all_descendants(mhd)
7581 r"""get_root(Hierarchy h) -> Hierarchy"""
7582 return _IMP_core.get_root(h)
7585 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7586 return _IMP_core.visit_breadth_first(d, f)
7589 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7590 return _IMP_core.visit_depth_first(d, f)
7592 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7594 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7596 def __init__(self, tr):
7597 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7598 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7600 def do_get_inputs(self, m, pis):
7601 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7602 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7604 def get_version_info(self):
7605 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7606 return _IMP_core.LeavesRefiner_get_version_info(self)
7607 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7610 r"""__str__(LeavesRefiner self) -> std::string"""
7611 return _IMP_core.LeavesRefiner___str__(self)
7614 r"""__repr__(LeavesRefiner self) -> std::string"""
7615 return _IMP_core.LeavesRefiner___repr__(self)
7619 return _object_cast_to_LeavesRefiner(o)
7623 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7625 r"""Proxy of C++ IMP::core::Linear class."""
7627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7629 def __init__(self, *args):
7631 __init__(Linear self, double offset, double slope) -> Linear
7632 __init__(Linear self) -> Linear
7634 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7636 def set_slope(self, f):
7637 r"""set_slope(Linear self, double f)"""
7638 return _IMP_core.Linear_set_slope(self, f)
7640 def get_slope(self):
7641 r"""get_slope(Linear self) -> double"""
7642 return _IMP_core.Linear_get_slope(self)
7644 def set_offset(self, f):
7645 r"""set_offset(Linear self, double f)"""
7646 return _IMP_core.Linear_set_offset(self, f)
7648 def get_offset(self):
7649 r"""get_offset(Linear self) -> double"""
7650 return _IMP_core.Linear_get_offset(self)
7652 def get_version_info(self):
7653 r"""get_version_info(Linear self) -> VersionInfo"""
7654 return _IMP_core.Linear_get_version_info(self)
7655 __swig_destroy__ = _IMP_core.delete_Linear
7658 r"""__str__(Linear self) -> std::string"""
7659 return _IMP_core.Linear___str__(self)
7662 r"""__repr__(Linear self) -> std::string"""
7663 return _IMP_core.Linear___repr__(self)
7667 return _object_cast_to_Linear(o)
7670 def _get_as_binary(self):
7671 r"""_get_as_binary(Linear self) -> PyObject *"""
7672 return _IMP_core.Linear__get_as_binary(self)
7674 def _set_from_binary(self, p):
7675 r"""_set_from_binary(Linear self, PyObject * p)"""
7676 return _IMP_core.Linear__set_from_binary(self, p)
7678 def __getstate__(self):
7679 p = self._get_as_binary()
7680 if len(self.__dict__) > 1:
7681 d = self.__dict__.copy()
7686 def __setstate__(self, p):
7687 if not hasattr(self,
'this'):
7689 if isinstance(p, tuple):
7691 self.__dict__.update(d)
7692 return self._set_from_binary(p)
7696 def score(val, slope, offset):
7697 return (val - offset) * slope
7698 return functools.partial(score, slope=self.get_slope(),
7699 offset=self.get_offset())
7703 _IMP_core.Linear_swigregister(Linear)
7704 class LogNormalMover(MonteCarloMover):
7705 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7709 def __init__(self, *args):
7711 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7712 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7713 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7714 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7715 __init__(LogNormalMover self) -> LogNormalMover
7717 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7719 def set_sigma(self, sigma):
7720 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7721 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7723 def get_sigma(self):
7724 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7725 return _IMP_core.LogNormalMover_get_sigma(self)
7728 r"""get_indexes(LogNormalMover self) -> IMP::ParticleIndexes"""
7729 return _IMP_core.LogNormalMover_get_indexes(self)
7732 r"""get_keys(LogNormalMover self) -> IMP::FloatKeys"""
7733 return _IMP_core.LogNormalMover_get_keys(self)
7735 def get_version_info(self):
7736 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7737 return _IMP_core.LogNormalMover_get_version_info(self)
7738 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7741 r"""__str__(LogNormalMover self) -> std::string"""
7742 return _IMP_core.LogNormalMover___str__(self)
7745 r"""__repr__(LogNormalMover self) -> std::string"""
7746 return _IMP_core.LogNormalMover___repr__(self)
7750 return _object_cast_to_LogNormalMover(o)
7753 def _get_as_binary(self):
7754 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7755 return _IMP_core.LogNormalMover__get_as_binary(self)
7757 def _set_from_binary(self, p):
7758 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7759 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7761 def __getstate__(self):
7762 p = self._get_as_binary()
7763 if len(self.__dict__) > 1:
7764 d = self.__dict__.copy()
7769 def __setstate__(self, p):
7770 if not hasattr(self,
'this'):
7772 if isinstance(p, tuple):
7774 self.__dict__.update(d)
7775 return self._set_from_binary(p)
7778 def _get_jax(self, space):
7780 from IMP.core._jax_util
import _get_offset_propose_func
7781 keys = self.get_keys()
7782 sigma = self.get_sigma()
7784 def offset_func(key, shape):
7785 key, subkey = jax.random.split(key)
7786 return key, jax.random.lognormal(subkey, sigma, shape)
7788 propose_func, keys = _get_offset_propose_func(
7789 self.get_indexes(), keys, offset_func)
7791 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
7795 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7796 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7799 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7803 def __init__(self, *args):
7805 __init__(MonteCarlo self, Model m) -> MonteCarlo
7806 __init__(MonteCarlo self) -> MonteCarlo
7808 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7810 def get_version_info(self):
7811 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7812 return _IMP_core.MonteCarlo_get_version_info(self)
7813 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7815 def set_return_best(self, tf):
7816 r"""set_return_best(MonteCarlo self, bool tf)"""
7817 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7819 def get_return_best(self):
7820 r"""get_return_best(MonteCarlo self) -> bool"""
7821 return _IMP_core.MonteCarlo_get_return_best(self)
7823 def set_score_moved(self, mv):
7824 r"""set_score_moved(MonteCarlo self, bool mv)"""
7825 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7827 def set_kt(self, t):
7828 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7829 return _IMP_core.MonteCarlo_set_kt(self, t)
7832 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7833 return _IMP_core.MonteCarlo_get_kt(self)
7835 def get_last_accepted_energy(self):
7836 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7837 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7839 def set_last_accepted_energy(self, energy):
7840 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7841 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7843 def get_best_accepted_energy(self):
7844 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7845 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7847 def set_best_accepted_energy(self, energy):
7848 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7849 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7851 def get_number_of_downward_steps(self):
7852 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7853 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7855 def get_number_of_upward_steps(self):
7856 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7857 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7859 def get_number_of_proposed_steps(self):
7860 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7861 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7863 def get_number_of_accepted_steps(self):
7864 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7865 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7867 def set_number_of_downward_steps(self, nsteps):
7868 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7869 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7871 def set_number_of_upward_steps(self, nsteps):
7872 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7873 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7875 def set_number_of_rejected_steps(self, nsteps):
7876 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7877 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7879 def reset_statistics(self):
7880 r"""reset_statistics(MonteCarlo self)"""
7881 return _IMP_core.MonteCarlo_reset_statistics(self)
7883 def set_score_threshold(self, s):
7884 r"""set_score_threshold(MonteCarlo self, double s)"""
7885 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7887 def get_score_threshold(self):
7888 r"""get_score_threshold(MonteCarlo self) -> double"""
7889 return _IMP_core.MonteCarlo_get_score_threshold(self)
7891 def set_maximum_difference(self, d):
7892 r"""set_maximum_difference(MonteCarlo self, double d)"""
7893 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7895 def get_maximum_difference(self):
7896 r"""get_maximum_difference(MonteCarlo self) -> double"""
7897 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7898 def __get_movers(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_movers, getfunc=self.get_mover, erasefunc=self.erase_mover, appendfunc=self.add_mover, extendfunc=self.add_movers, clearfunc=self.clear_movers, indexfunc=self._python_index_mover)
7899 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7900 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7901 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7903 def remove_mover(self, d):
7904 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7905 return _IMP_core.MonteCarlo_remove_mover(self, d)
7907 def _python_index_mover(self, d, start, stop):
7908 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7909 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7911 def remove_movers(self, d):
7912 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7913 return _IMP_core.MonteCarlo_remove_movers(self, d)
7915 def set_movers(self, ps):
7916 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7917 return _IMP_core.MonteCarlo_set_movers(self, ps)
7919 def set_movers_order(self, objs):
7920 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7921 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7923 def add_mover(self, obj):
7924 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7925 return _IMP_core.MonteCarlo_add_mover(self, obj)
7927 def add_movers(self, objs):
7928 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7929 return _IMP_core.MonteCarlo_add_movers(self, objs)
7931 def clear_movers(self):
7932 r"""clear_movers(MonteCarlo self)"""
7933 return _IMP_core.MonteCarlo_clear_movers(self)
7935 def get_number_of_movers(self):
7936 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7937 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7939 def get_has_movers(self):
7940 r"""get_has_movers(MonteCarlo self) -> bool"""
7941 return _IMP_core.MonteCarlo_get_has_movers(self)
7943 def get_mover(self, i):
7944 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7945 return _IMP_core.MonteCarlo_get_mover(self, i)
7947 def get_movers(self):
7948 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7949 return _IMP_core.MonteCarlo_get_movers(self)
7951 def erase_mover(self, i):
7952 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7953 return _IMP_core.MonteCarlo_erase_mover(self, i)
7955 def reserve_movers(self, sz):
7956 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7957 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7960 r"""__str__(MonteCarlo self) -> std::string"""
7961 return _IMP_core.MonteCarlo___str__(self)
7964 r"""__repr__(MonteCarlo self) -> std::string"""
7965 return _IMP_core.MonteCarlo___repr__(self)
7969 return _object_cast_to_MonteCarlo(o)
7972 def _get_as_binary(self):
7973 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7974 return _IMP_core.MonteCarlo__get_as_binary(self)
7976 def _set_from_binary(self, p):
7977 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7978 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7980 def __getstate__(self):
7981 p = self._get_as_binary()
7982 if len(self.__dict__) > 1:
7983 d = self.__dict__.copy()
7988 def __setstate__(self, p):
7989 if not hasattr(self,
'this'):
7991 if isinstance(p, tuple):
7993 self.__dict__.update(d)
7994 return self._set_from_binary(p)
7997 def _get_jax(self, space=None):
7998 from IMP.core._jax_util
import _MCJAXInfo
7999 return _MCJAXInfo(self, space)
8001 def _get_jax_optimizer(self, max_steps, space=None):
8002 import IMP.core._jax_util
8003 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps, space)
8005 def _optimize_jax(self, max_steps, space=None):
8006 opt = self._get_jax_optimizer(max_steps, space=space)
8007 score, mc_state = opt.optimize(opt.get_initial_state())
8012 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
8013 class MonteCarloWithLocalOptimization(MonteCarlo):
8014 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
8016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8018 def __init__(self, opt, steps):
8019 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
8020 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
8022 def get_number_of_steps(self):
8023 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
8024 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
8026 def get_local_optimizer(self):
8027 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
8028 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
8029 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
8032 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
8033 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
8036 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
8037 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
8041 return _object_cast_to_MonteCarloWithLocalOptimization(o)
8045 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
8046 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
8047 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
8049 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8051 def __init__(self, opt, ns):
8052 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
8053 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
8054 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
8057 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
8058 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
8061 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
8062 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
8066 return _object_cast_to_MonteCarloWithBasinHopping(o)
8070 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
8072 r"""Proxy of C++ IMP::core::NeighborsTable class."""
8074 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8076 def __init__(self, *args):
8077 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
8078 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
8080 def get_neighbors(self, pi):
8081 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
8082 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
8084 def get_version_info(self):
8085 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
8086 return _IMP_core.NeighborsTable_get_version_info(self)
8087 __swig_destroy__ = _IMP_core.delete_NeighborsTable
8090 r"""__str__(NeighborsTable self) -> std::string"""
8091 return _IMP_core.NeighborsTable___str__(self)
8094 r"""__repr__(NeighborsTable self) -> std::string"""
8095 return _IMP_core.NeighborsTable___repr__(self)
8099 return _object_cast_to_NeighborsTable(o)
8103 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
8104 class NormalMover(MonteCarloMover):
8105 r"""Proxy of C++ IMP::core::NormalMover class."""
8107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8109 def __init__(self, *args):
8111 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8112 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8113 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8114 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8115 __init__(NormalMover self) -> NormalMover
8117 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8119 def set_sigma(self, sigma):
8120 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8121 return _IMP_core.NormalMover_set_sigma(self, sigma)
8123 def get_sigma(self):
8124 r"""get_sigma(NormalMover self) -> IMP::Float"""
8125 return _IMP_core.NormalMover_get_sigma(self)
8128 r"""get_indexes(NormalMover self) -> IMP::ParticleIndexes"""
8129 return _IMP_core.NormalMover_get_indexes(self)
8132 r"""get_keys(NormalMover self) -> IMP::FloatKeys"""
8133 return _IMP_core.NormalMover_get_keys(self)
8135 def get_version_info(self):
8136 r"""get_version_info(NormalMover self) -> VersionInfo"""
8137 return _IMP_core.NormalMover_get_version_info(self)
8138 __swig_destroy__ = _IMP_core.delete_NormalMover
8141 r"""__str__(NormalMover self) -> std::string"""
8142 return _IMP_core.NormalMover___str__(self)
8145 r"""__repr__(NormalMover self) -> std::string"""
8146 return _IMP_core.NormalMover___repr__(self)
8150 return _object_cast_to_NormalMover(o)
8153 def _get_as_binary(self):
8154 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8155 return _IMP_core.NormalMover__get_as_binary(self)
8157 def _set_from_binary(self, p):
8158 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8159 return _IMP_core.NormalMover__set_from_binary(self, p)
8161 def __getstate__(self):
8162 p = self._get_as_binary()
8163 if len(self.__dict__) > 1:
8164 d = self.__dict__.copy()
8169 def __setstate__(self, p):
8170 if not hasattr(self,
'this'):
8172 if isinstance(p, tuple):
8174 self.__dict__.update(d)
8175 return self._set_from_binary(p)
8178 def _get_jax(self, space):
8180 from IMP.core._jax_util
import _get_offset_propose_func
8181 keys = self.get_keys()
8182 sigma = self.get_sigma()
8184 def offset_func(key, shape):
8185 key, subkey = jax.random.split(key)
8186 return key, jax.random.normal(subkey, shape) * sigma
8188 propose_func, keys = _get_offset_propose_func(
8189 self.get_indexes(), keys, offset_func)
8191 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
8195 _IMP_core.NormalMover_swigregister(NormalMover)
8196 class OpenCubicSpline(_OpenCubicSplineBase):
8197 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8201 def __init__(self, values, minrange, spacing, extend=False):
8202 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8203 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8205 def get_minrange(self):
8206 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8207 return _IMP_core.OpenCubicSpline_get_minrange(self)
8209 def get_spacing(self):
8210 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8211 return _IMP_core.OpenCubicSpline_get_spacing(self)
8213 def get_values(self):
8214 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8215 return _IMP_core.OpenCubicSpline_get_values(self)
8217 def get_extend(self):
8218 r"""get_extend(OpenCubicSpline self) -> bool"""
8219 return _IMP_core.OpenCubicSpline_get_extend(self)
8221 def get_second_derivatives(self):
8222 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8223 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8224 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8227 r"""__str__(OpenCubicSpline self) -> std::string"""
8228 return _IMP_core.OpenCubicSpline___str__(self)
8231 r"""__repr__(OpenCubicSpline self) -> std::string"""
8232 return _IMP_core.OpenCubicSpline___repr__(self)
8236 return _object_cast_to_OpenCubicSpline(o)
8240 import jax.numpy
as jnp
8241 from IMP.core._jax_util
import _spline
8242 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8244 feature = jnp.clip(feature, minrange, maxrange)
8246 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8247 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8248 values, second_derivs)
8249 spacing = self.get_spacing()
8250 minrange = self.get_minrange()
8251 values = jnp.asarray(self.get_values())
8252 maxrange = minrange + spacing * (len(values) - 1)
8253 return functools.partial(
8254 score, minrange=minrange, maxrange=maxrange,
8255 spacing=spacing, values=values,
8256 second_derivs=jnp.asarray(self.get_second_derivatives()))
8260 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8261 class QuadraticClosePairsFinder(ClosePairsFinder):
8262 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8264 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8267 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8268 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8270 def get_are_close_and_filtered(self, *args):
8272 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8273 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8275 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8277 def get_close_pairs(self, *args):
8279 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8280 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8281 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8282 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8284 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8286 def do_get_inputs(self, m, pis):
8287 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8288 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8290 def get_version_info(self):
8291 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8292 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8293 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8296 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8297 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8300 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8301 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8305 return _object_cast_to_QuadraticClosePairsFinder(o)
8309 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8311 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8313 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8315 def __init__(self, r, f):
8316 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8317 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8319 def do_get_inputs(self, m, pis):
8320 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8321 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8323 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8324 r"""evaluate_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8325 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8327 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8328 r"""evaluate_indexes_scores(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8329 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8331 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8332 r"""evaluate_indexes_delta(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8333 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8335 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8336 r"""evaluate_if_good_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8337 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8339 def get_version_info(self):
8340 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8341 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8342 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8345 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8346 return _IMP_core.RefinedPairsPairScore___str__(self)
8349 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8350 return _IMP_core.RefinedPairsPairScore___repr__(self)
8354 return _object_cast_to_RefinedPairsPairScore(o)
8358 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8359 class RigidBody(XYZ):
8360 r"""Proxy of C++ IMP::core::RigidBody class."""
8362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8364 def get_rigid_members(self):
8365 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8366 return _IMP_core.RigidBody_get_rigid_members(self)
8369 def get_rotation_key():
8370 r"""get_rotation_key() -> Vector4DDerivKey"""
8371 return _IMP_core.RigidBody_get_rotation_key()
8373 def get_member_particle_indexes(self):
8374 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8375 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8377 def get_body_member_particle_indexes(self):
8378 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8379 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8381 def get_member_indexes(self):
8382 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8383 return _IMP_core.RigidBody_get_member_indexes(self)
8385 def show(self, *args):
8386 r"""show(RigidBody self, _ostream out=std::cout)"""
8387 return _IMP_core.RigidBody_show(self, *args)
8390 def setup_particle(*args):
8392 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8393 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8394 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8395 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8397 return _IMP_core.RigidBody_setup_particle(*args)
8400 def teardown_particle(rb):
8401 r"""teardown_particle(RigidBody rb)"""
8402 return _IMP_core.RigidBody_teardown_particle(rb)
8404 def __init__(self, *args):
8406 __init__(RigidBody self) -> RigidBody
8407 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8408 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8409 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8411 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8412 __swig_destroy__ = _IMP_core.delete_RigidBody
8415 def get_is_setup(*args):
8417 get_is_setup(_ParticleAdaptor p) -> bool
8418 get_is_setup(Model m, ParticleIndex pi) -> bool
8420 return _IMP_core.RigidBody_get_is_setup(*args)
8422 def get_coordinates(self):
8423 r"""get_coordinates(RigidBody self) -> Vector3D"""
8424 return _IMP_core.RigidBody_get_coordinates(self)
8426 def get_rotation(self):
8427 r"""get_rotation(RigidBody self) -> Rotation3D"""
8428 return _IMP_core.RigidBody_get_rotation(self)
8430 def get_reference_frame(self):
8431 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8432 return _IMP_core.RigidBody_get_reference_frame(self)
8434 def set_reference_frame(self, tr):
8435 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8436 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8438 def set_reference_frame_lazy(self, tr):
8439 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8440 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8442 def set_reference_frame_from_members(self, members):
8443 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8444 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8446 def pull_back_members_adjoints(self, da):
8447 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8448 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8450 def pull_back_member_adjoints(self, pi, da):
8451 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8452 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8454 def pull_back_body_member_adjoints(self, pi, da):
8455 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8456 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8458 def add_to_rotational_derivatives(self, qderiv, da):
8459 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8460 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8462 def add_to_torque(self, torque_local, da):
8463 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8464 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8466 def get_torque(self):
8467 r"""get_torque(RigidBody self) -> Vector3D"""
8468 return _IMP_core.RigidBody_get_torque(self)
8470 def get_coordinates_are_optimized(self):
8471 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8472 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8474 def set_coordinates_are_optimized(self, tf):
8475 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8476 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8478 def normalize_rotation(self):
8479 r"""normalize_rotation(RigidBody self)"""
8480 return _IMP_core.RigidBody_normalize_rotation(self)
8482 def update_members(self):
8483 r"""update_members(RigidBody self)"""
8484 return _IMP_core.RigidBody_update_members(self)
8486 def get_rotational_derivatives(self):
8487 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8488 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8490 def get_number_of_members(self):
8491 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8492 return _IMP_core.RigidBody_get_number_of_members(self)
8494 def get_member(self, i):
8495 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8496 return _IMP_core.RigidBody_get_member(self, i)
8498 def add_member(self, p):
8499 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8500 return _IMP_core.RigidBody_add_member(self, p)
8502 def add_non_rigid_member(self, p):
8503 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8504 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8506 def set_is_rigid_member(self, pi, tf):
8507 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8508 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8510 def remove_member(self, p):
8511 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8512 return _IMP_core.RigidBody_remove_member(self, p)
8514 def add_attribute(self, *args):
8516 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8517 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8518 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8519 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8520 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8521 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8522 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8523 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8524 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8525 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8526 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8527 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8529 return _IMP_core.RigidBody_add_attribute(self, *args)
8531 def get_value(self, *args):
8533 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8534 get_value(RigidBody self, IntKey a0) -> IMP::Int
8535 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8536 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8537 get_value(RigidBody self, StringKey a0) -> IMP::String
8538 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8539 get_value(RigidBody self, ObjectKey a0) -> Object
8540 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8541 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8542 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8543 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8545 return _IMP_core.RigidBody_get_value(self, *args)
8547 def set_value(self, *args):
8549 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8550 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8551 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8552 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8553 set_value(RigidBody self, StringKey a0, IMP::String a1)
8554 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8555 set_value(RigidBody self, ObjectKey a0, Object a1)
8556 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8557 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8558 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8559 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8561 return _IMP_core.RigidBody_set_value(self, *args)
8563 def remove_attribute(self, *args):
8565 remove_attribute(RigidBody self, FloatKey a0)
8566 remove_attribute(RigidBody self, IntKey a0)
8567 remove_attribute(RigidBody self, FloatsKey a0)
8568 remove_attribute(RigidBody self, IntsKey a0)
8569 remove_attribute(RigidBody self, StringKey a0)
8570 remove_attribute(RigidBody self, ParticleIndexKey a0)
8571 remove_attribute(RigidBody self, ObjectKey a0)
8572 remove_attribute(RigidBody self, SparseFloatKey a0)
8573 remove_attribute(RigidBody self, SparseIntKey a0)
8574 remove_attribute(RigidBody self, SparseStringKey a0)
8575 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8577 return _IMP_core.RigidBody_remove_attribute(self, *args)
8579 def has_attribute(self, *args):
8581 has_attribute(RigidBody self, FloatKey a0) -> bool
8582 has_attribute(RigidBody self, IntKey a0) -> bool
8583 has_attribute(RigidBody self, FloatsKey a0) -> bool
8584 has_attribute(RigidBody self, IntsKey a0) -> bool
8585 has_attribute(RigidBody self, StringKey a0) -> bool
8586 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8587 has_attribute(RigidBody self, ObjectKey a0) -> bool
8588 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8589 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8590 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8591 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8593 return _IMP_core.RigidBody_has_attribute(self, *args)
8595 def get_derivative(self, a0):
8596 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8597 return _IMP_core.RigidBody_get_derivative(self, a0)
8600 r"""get_name(RigidBody self) -> std::string"""
8601 return _IMP_core.RigidBody_get_name(self)
8603 def clear_caches(self):
8604 r"""clear_caches(RigidBody self)"""
8605 return _IMP_core.RigidBody_clear_caches(self)
8607 def set_name(self, a0):
8608 r"""set_name(RigidBody self, std::string a0)"""
8609 return _IMP_core.RigidBody_set_name(self, a0)
8612 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8613 return _IMP_core.RigidBody_set_check_level(self, a0)
8615 def add_to_derivative(self, a0, a1, a2):
8616 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8617 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8619 def set_is_optimized(self, a0, a1):
8620 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8621 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8623 def get_is_optimized(self, a0):
8624 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8625 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8628 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8629 return _IMP_core.RigidBody_get_check_level(self)
8631 def __eq__(self, *args):
8633 __eq__(RigidBody self, RigidBody o) -> bool
8634 __eq__(RigidBody self, Particle d) -> bool
8636 return _IMP_core.RigidBody___eq__(self, *args)
8638 def __ne__(self, *args):
8640 __ne__(RigidBody self, RigidBody o) -> bool
8641 __ne__(RigidBody self, Particle d) -> bool
8643 return _IMP_core.RigidBody___ne__(self, *args)
8645 def __le__(self, *args):
8647 __le__(RigidBody self, RigidBody o) -> bool
8648 __le__(RigidBody self, Particle d) -> bool
8650 return _IMP_core.RigidBody___le__(self, *args)
8652 def __lt__(self, *args):
8654 __lt__(RigidBody self, RigidBody o) -> bool
8655 __lt__(RigidBody self, Particle d) -> bool
8657 return _IMP_core.RigidBody___lt__(self, *args)
8659 def __ge__(self, *args):
8661 __ge__(RigidBody self, RigidBody o) -> bool
8662 __ge__(RigidBody self, Particle d) -> bool
8664 return _IMP_core.RigidBody___ge__(self, *args)
8666 def __gt__(self, *args):
8668 __gt__(RigidBody self, RigidBody o) -> bool
8669 __gt__(RigidBody self, Particle d) -> bool
8671 return _IMP_core.RigidBody___gt__(self, *args)
8674 r"""__hash__(RigidBody self) -> std::size_t"""
8675 return _IMP_core.RigidBody___hash__(self)
8678 r"""__str__(RigidBody self) -> std::string"""
8679 return _IMP_core.RigidBody___str__(self)
8682 r"""__repr__(RigidBody self) -> std::string"""
8683 return _IMP_core.RigidBody___repr__(self)
8685 def _get_as_binary(self):
8686 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8687 return _IMP_core.RigidBody__get_as_binary(self)
8689 def _set_from_binary(self, p):
8690 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8691 return _IMP_core.RigidBody__set_from_binary(self, p)
8693 def __getstate__(self):
8694 p = self._get_as_binary()
8695 if len(self.__dict__) > 1:
8696 d = self.__dict__.copy()
8701 def __setstate__(self, p):
8702 if not hasattr(self,
'this'):
8704 if isinstance(p, tuple):
8706 self.__dict__.update(d)
8707 return self._set_from_binary(p)
8711 _IMP_core.RigidBody_swigregister(RigidBody)
8714 r"""add_rigid_body_cache_key(ObjectKey k)"""
8715 return _IMP_core.add_rigid_body_cache_key(k)
8716 class RigidBodyMember(XYZ):
8717 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8721 def show(self, *args):
8722 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8723 return _IMP_core.RigidBodyMember_show(self, *args)
8725 def get_rigid_body(self):
8726 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8727 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8729 def get_internal_coordinates(self):
8730 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8731 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8733 def set_internal_coordinates(self, v):
8734 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8735 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8737 def set_internal_transformation(self, v):
8738 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8739 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8741 def get_internal_transformation(self):
8742 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8743 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8744 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8746 def set_coordinates(self, *args):
8748 set_coordinates(RigidBodyMember self, Vector3D center)
8749 set_coordinates(RigidBodyMember self, Transformation3D tr)
8751 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8753 def __init__(self, *args):
8755 __init__(RigidBodyMember self) -> RigidBodyMember
8756 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8757 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8758 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8760 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8763 def get_is_setup(*args):
8765 get_is_setup(_ParticleAdaptor p) -> bool
8766 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8768 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8771 def get_internal_coordinate_keys():
8772 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8773 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8776 def get_internal_rotation_key():
8777 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8778 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8780 def add_attribute(self, *args):
8782 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8783 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8784 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8785 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8786 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8787 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8788 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8789 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8790 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8791 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8792 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8793 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8795 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8797 def get_value(self, *args):
8799 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8800 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8801 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8802 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8803 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8804 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8805 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8806 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8807 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8808 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8809 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8811 return _IMP_core.RigidBodyMember_get_value(self, *args)
8813 def set_value(self, *args):
8815 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8816 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8817 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8818 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8819 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8820 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8821 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8822 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8823 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8824 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8825 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8827 return _IMP_core.RigidBodyMember_set_value(self, *args)
8829 def remove_attribute(self, *args):
8831 remove_attribute(RigidBodyMember self, FloatKey a0)
8832 remove_attribute(RigidBodyMember self, IntKey a0)
8833 remove_attribute(RigidBodyMember self, FloatsKey a0)
8834 remove_attribute(RigidBodyMember self, IntsKey a0)
8835 remove_attribute(RigidBodyMember self, StringKey a0)
8836 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8837 remove_attribute(RigidBodyMember self, ObjectKey a0)
8838 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8839 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8840 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8841 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8843 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8845 def has_attribute(self, *args):
8847 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8848 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8849 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8850 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8851 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8852 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8853 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8854 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8855 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8856 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8857 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8859 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8861 def get_derivative(self, a0):
8862 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8863 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8866 r"""get_name(RigidBodyMember self) -> std::string"""
8867 return _IMP_core.RigidBodyMember_get_name(self)
8869 def clear_caches(self):
8870 r"""clear_caches(RigidBodyMember self)"""
8871 return _IMP_core.RigidBodyMember_clear_caches(self)
8873 def set_name(self, a0):
8874 r"""set_name(RigidBodyMember self, std::string a0)"""
8875 return _IMP_core.RigidBodyMember_set_name(self, a0)
8878 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8879 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8881 def add_to_derivative(self, a0, a1, a2):
8882 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8883 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8885 def set_is_optimized(self, a0, a1):
8886 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8887 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8889 def get_is_optimized(self, a0):
8890 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8891 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8894 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8895 return _IMP_core.RigidBodyMember_get_check_level(self)
8897 def __eq__(self, *args):
8899 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8900 __eq__(RigidBodyMember self, Particle d) -> bool
8902 return _IMP_core.RigidBodyMember___eq__(self, *args)
8904 def __ne__(self, *args):
8906 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8907 __ne__(RigidBodyMember self, Particle d) -> bool
8909 return _IMP_core.RigidBodyMember___ne__(self, *args)
8911 def __le__(self, *args):
8913 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8914 __le__(RigidBodyMember self, Particle d) -> bool
8916 return _IMP_core.RigidBodyMember___le__(self, *args)
8918 def __lt__(self, *args):
8920 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8921 __lt__(RigidBodyMember self, Particle d) -> bool
8923 return _IMP_core.RigidBodyMember___lt__(self, *args)
8925 def __ge__(self, *args):
8927 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8928 __ge__(RigidBodyMember self, Particle d) -> bool
8930 return _IMP_core.RigidBodyMember___ge__(self, *args)
8932 def __gt__(self, *args):
8934 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8935 __gt__(RigidBodyMember self, Particle d) -> bool
8937 return _IMP_core.RigidBodyMember___gt__(self, *args)
8940 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8941 return _IMP_core.RigidBodyMember___hash__(self)
8944 r"""__str__(RigidBodyMember self) -> std::string"""
8945 return _IMP_core.RigidBodyMember___str__(self)
8948 r"""__repr__(RigidBodyMember self) -> std::string"""
8949 return _IMP_core.RigidBodyMember___repr__(self)
8951 def _get_as_binary(self):
8952 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8953 return _IMP_core.RigidBodyMember__get_as_binary(self)
8955 def _set_from_binary(self, p):
8956 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8957 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8959 def __getstate__(self):
8960 p = self._get_as_binary()
8961 if len(self.__dict__) > 1:
8962 d = self.__dict__.copy()
8967 def __setstate__(self, p):
8968 if not hasattr(self,
'this'):
8970 if isinstance(p, tuple):
8972 self.__dict__.update(d)
8973 return self._set_from_binary(p)
8977 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8978 class RigidMember(RigidBodyMember):
8979 r"""Proxy of C++ IMP::core::RigidMember class."""
8981 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8983 def show(self, *args):
8984 r"""show(RigidMember self, _ostream out=std::cout)"""
8985 return _IMP_core.RigidMember_show(self, *args)
8987 def __init__(self, *args):
8989 __init__(RigidMember self) -> RigidMember
8990 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8991 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8992 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8994 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8995 __swig_destroy__ = _IMP_core.delete_RigidMember
8998 def get_is_setup(*args):
9000 get_is_setup(_ParticleAdaptor p) -> bool
9001 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
9003 return _IMP_core.RigidMember_get_is_setup(*args)
9005 def add_attribute(self, *args):
9007 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
9008 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
9009 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
9010 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
9011 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
9012 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
9013 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
9014 add_attribute(RigidMember self, ObjectKey a0, Object a1)
9015 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
9016 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
9017 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
9018 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9020 return _IMP_core.RigidMember_add_attribute(self, *args)
9022 def get_value(self, *args):
9024 get_value(RigidMember self, FloatKey a0) -> IMP::Float
9025 get_value(RigidMember self, IntKey a0) -> IMP::Int
9026 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
9027 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
9028 get_value(RigidMember self, StringKey a0) -> IMP::String
9029 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
9030 get_value(RigidMember self, ObjectKey a0) -> Object
9031 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
9032 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
9033 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
9034 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9036 return _IMP_core.RigidMember_get_value(self, *args)
9038 def set_value(self, *args):
9040 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
9041 set_value(RigidMember self, IntKey a0, IMP::Int a1)
9042 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
9043 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
9044 set_value(RigidMember self, StringKey a0, IMP::String a1)
9045 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
9046 set_value(RigidMember self, ObjectKey a0, Object a1)
9047 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
9048 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
9049 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
9050 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9052 return _IMP_core.RigidMember_set_value(self, *args)
9054 def remove_attribute(self, *args):
9056 remove_attribute(RigidMember self, FloatKey a0)
9057 remove_attribute(RigidMember self, IntKey a0)
9058 remove_attribute(RigidMember self, FloatsKey a0)
9059 remove_attribute(RigidMember self, IntsKey a0)
9060 remove_attribute(RigidMember self, StringKey a0)
9061 remove_attribute(RigidMember self, ParticleIndexKey a0)
9062 remove_attribute(RigidMember self, ObjectKey a0)
9063 remove_attribute(RigidMember self, SparseFloatKey a0)
9064 remove_attribute(RigidMember self, SparseIntKey a0)
9065 remove_attribute(RigidMember self, SparseStringKey a0)
9066 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
9068 return _IMP_core.RigidMember_remove_attribute(self, *args)
9070 def has_attribute(self, *args):
9072 has_attribute(RigidMember self, FloatKey a0) -> bool
9073 has_attribute(RigidMember self, IntKey a0) -> bool
9074 has_attribute(RigidMember self, FloatsKey a0) -> bool
9075 has_attribute(RigidMember self, IntsKey a0) -> bool
9076 has_attribute(RigidMember self, StringKey a0) -> bool
9077 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
9078 has_attribute(RigidMember self, ObjectKey a0) -> bool
9079 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
9080 has_attribute(RigidMember self, SparseIntKey a0) -> bool
9081 has_attribute(RigidMember self, SparseStringKey a0) -> bool
9082 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
9084 return _IMP_core.RigidMember_has_attribute(self, *args)
9086 def get_derivative(self, a0):
9087 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
9088 return _IMP_core.RigidMember_get_derivative(self, a0)
9091 r"""get_name(RigidMember self) -> std::string"""
9092 return _IMP_core.RigidMember_get_name(self)
9094 def clear_caches(self):
9095 r"""clear_caches(RigidMember self)"""
9096 return _IMP_core.RigidMember_clear_caches(self)
9098 def set_name(self, a0):
9099 r"""set_name(RigidMember self, std::string a0)"""
9100 return _IMP_core.RigidMember_set_name(self, a0)
9103 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
9104 return _IMP_core.RigidMember_set_check_level(self, a0)
9106 def add_to_derivative(self, a0, a1, a2):
9107 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9108 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
9110 def set_is_optimized(self, a0, a1):
9111 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
9112 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
9114 def get_is_optimized(self, a0):
9115 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
9116 return _IMP_core.RigidMember_get_is_optimized(self, a0)
9119 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
9120 return _IMP_core.RigidMember_get_check_level(self)
9122 def __eq__(self, *args):
9124 __eq__(RigidMember self, RigidMember o) -> bool
9125 __eq__(RigidMember self, Particle d) -> bool
9127 return _IMP_core.RigidMember___eq__(self, *args)
9129 def __ne__(self, *args):
9131 __ne__(RigidMember self, RigidMember o) -> bool
9132 __ne__(RigidMember self, Particle d) -> bool
9134 return _IMP_core.RigidMember___ne__(self, *args)
9136 def __le__(self, *args):
9138 __le__(RigidMember self, RigidMember o) -> bool
9139 __le__(RigidMember self, Particle d) -> bool
9141 return _IMP_core.RigidMember___le__(self, *args)
9143 def __lt__(self, *args):
9145 __lt__(RigidMember self, RigidMember o) -> bool
9146 __lt__(RigidMember self, Particle d) -> bool
9148 return _IMP_core.RigidMember___lt__(self, *args)
9150 def __ge__(self, *args):
9152 __ge__(RigidMember self, RigidMember o) -> bool
9153 __ge__(RigidMember self, Particle d) -> bool
9155 return _IMP_core.RigidMember___ge__(self, *args)
9157 def __gt__(self, *args):
9159 __gt__(RigidMember self, RigidMember o) -> bool
9160 __gt__(RigidMember self, Particle d) -> bool
9162 return _IMP_core.RigidMember___gt__(self, *args)
9165 r"""__hash__(RigidMember self) -> std::size_t"""
9166 return _IMP_core.RigidMember___hash__(self)
9169 r"""__str__(RigidMember self) -> std::string"""
9170 return _IMP_core.RigidMember___str__(self)
9173 r"""__repr__(RigidMember self) -> std::string"""
9174 return _IMP_core.RigidMember___repr__(self)
9176 def _get_as_binary(self):
9177 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9178 return _IMP_core.RigidMember__get_as_binary(self)
9180 def _set_from_binary(self, p):
9181 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9182 return _IMP_core.RigidMember__set_from_binary(self, p)
9184 def __getstate__(self):
9185 p = self._get_as_binary()
9186 if len(self.__dict__) > 1:
9187 d = self.__dict__.copy()
9192 def __setstate__(self, p):
9193 if not hasattr(self,
'this'):
9195 if isinstance(p, tuple):
9197 self.__dict__.update(d)
9198 return self._set_from_binary(p)
9202 _IMP_core.RigidMember_swigregister(RigidMember)
9203 class NonRigidMember(RigidBodyMember):
9204 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9206 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9208 def show(self, *args):
9209 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9210 return _IMP_core.NonRigidMember_show(self, *args)
9212 def __init__(self, *args):
9214 __init__(NonRigidMember self) -> NonRigidMember
9215 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9216 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9217 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9219 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9220 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9223 def get_is_setup(*args):
9225 get_is_setup(_ParticleAdaptor p) -> bool
9226 get_is_setup(Model m, ParticleIndex p) -> bool
9228 return _IMP_core.NonRigidMember_get_is_setup(*args)
9230 def add_to_internal_derivatives(self, deriv_parent, da):
9231 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9232 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9234 def add_to_internal_rotational_derivatives(self, qderiv, da):
9235 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9236 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9238 def get_internal_derivatives(self):
9239 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9240 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9242 def get_internal_rotational_derivatives(self):
9243 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9244 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9246 def add_attribute(self, *args):
9248 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9249 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9250 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9251 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9252 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9253 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9254 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9255 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9256 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9257 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9258 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9259 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9261 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9263 def get_value(self, *args):
9265 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9266 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9267 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9268 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9269 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9270 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9271 get_value(NonRigidMember self, ObjectKey a0) -> Object
9272 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9273 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9274 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9275 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9277 return _IMP_core.NonRigidMember_get_value(self, *args)
9279 def set_value(self, *args):
9281 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9282 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9283 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9284 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9285 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9286 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9287 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9288 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9289 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9290 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9291 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9293 return _IMP_core.NonRigidMember_set_value(self, *args)
9295 def remove_attribute(self, *args):
9297 remove_attribute(NonRigidMember self, FloatKey a0)
9298 remove_attribute(NonRigidMember self, IntKey a0)
9299 remove_attribute(NonRigidMember self, FloatsKey a0)
9300 remove_attribute(NonRigidMember self, IntsKey a0)
9301 remove_attribute(NonRigidMember self, StringKey a0)
9302 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9303 remove_attribute(NonRigidMember self, ObjectKey a0)
9304 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9305 remove_attribute(NonRigidMember self, SparseIntKey a0)
9306 remove_attribute(NonRigidMember self, SparseStringKey a0)
9307 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9309 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9311 def has_attribute(self, *args):
9313 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9314 has_attribute(NonRigidMember self, IntKey a0) -> bool
9315 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9316 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9317 has_attribute(NonRigidMember self, StringKey a0) -> bool
9318 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9319 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9320 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9321 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9322 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9323 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9325 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9327 def get_derivative(self, a0):
9328 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9329 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9332 r"""get_name(NonRigidMember self) -> std::string"""
9333 return _IMP_core.NonRigidMember_get_name(self)
9335 def clear_caches(self):
9336 r"""clear_caches(NonRigidMember self)"""
9337 return _IMP_core.NonRigidMember_clear_caches(self)
9339 def set_name(self, a0):
9340 r"""set_name(NonRigidMember self, std::string a0)"""
9341 return _IMP_core.NonRigidMember_set_name(self, a0)
9344 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9345 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9347 def add_to_derivative(self, a0, a1, a2):
9348 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9349 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9351 def set_is_optimized(self, a0, a1):
9352 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9353 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9355 def get_is_optimized(self, a0):
9356 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9357 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9360 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9361 return _IMP_core.NonRigidMember_get_check_level(self)
9363 def __eq__(self, *args):
9365 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9366 __eq__(NonRigidMember self, Particle d) -> bool
9368 return _IMP_core.NonRigidMember___eq__(self, *args)
9370 def __ne__(self, *args):
9372 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9373 __ne__(NonRigidMember self, Particle d) -> bool
9375 return _IMP_core.NonRigidMember___ne__(self, *args)
9377 def __le__(self, *args):
9379 __le__(NonRigidMember self, NonRigidMember o) -> bool
9380 __le__(NonRigidMember self, Particle d) -> bool
9382 return _IMP_core.NonRigidMember___le__(self, *args)
9384 def __lt__(self, *args):
9386 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9387 __lt__(NonRigidMember self, Particle d) -> bool
9389 return _IMP_core.NonRigidMember___lt__(self, *args)
9391 def __ge__(self, *args):
9393 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9394 __ge__(NonRigidMember self, Particle d) -> bool
9396 return _IMP_core.NonRigidMember___ge__(self, *args)
9398 def __gt__(self, *args):
9400 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9401 __gt__(NonRigidMember self, Particle d) -> bool
9403 return _IMP_core.NonRigidMember___gt__(self, *args)
9406 r"""__hash__(NonRigidMember self) -> std::size_t"""
9407 return _IMP_core.NonRigidMember___hash__(self)
9410 r"""__str__(NonRigidMember self) -> std::string"""
9411 return _IMP_core.NonRigidMember___str__(self)
9414 r"""__repr__(NonRigidMember self) -> std::string"""
9415 return _IMP_core.NonRigidMember___repr__(self)
9417 def _get_as_binary(self):
9418 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9419 return _IMP_core.NonRigidMember__get_as_binary(self)
9421 def _set_from_binary(self, p):
9422 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9423 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9425 def __getstate__(self):
9426 p = self._get_as_binary()
9427 if len(self.__dict__) > 1:
9428 d = self.__dict__.copy()
9433 def __setstate__(self, p):
9434 if not hasattr(self,
'this'):
9436 if isinstance(p, tuple):
9438 self.__dict__.update(d)
9439 return self._set_from_binary(p)
9443 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9445 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9447 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9449 def __init__(self, *args):
9450 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9451 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9453 def do_get_inputs(self, m, pis):
9454 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9455 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9457 def get_version_info(self):
9458 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9459 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9460 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9463 r"""__str__(RigidMembersRefiner self) -> std::string"""
9464 return _IMP_core.RigidMembersRefiner___str__(self)
9467 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9468 return _IMP_core.RigidMembersRefiner___repr__(self)
9472 return _object_cast_to_RigidMembersRefiner(o)
9476 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9478 def get_rigid_members_refiner():
9479 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9480 return _IMP_core.get_rigid_members_refiner()
9484 transform(XYZ a, Transformation3D tr)
9485 transform(RigidBody a, Transformation3D tr)
9487 return _IMP_core.transform(*args)
9491 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9492 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9494 return _IMP_core.get_initial_reference_frame(*args)
9497 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9498 return _IMP_core.create_rigid_bodies(m, n, no_members)
9501 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9502 return _IMP_core.show_rigid_body_hierarchy(*args)
9505 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9506 return _IMP_core.get_root_rigid_body(m)
9508 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9510 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9512 def __init__(self, *args):
9513 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9514 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9516 def do_get_inputs(self, m, pis):
9517 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9518 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9520 def do_get_outputs(self, m, pis):
9521 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9522 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9524 def get_version_info(self):
9525 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9526 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9527 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9530 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9531 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9534 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9535 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9539 return _object_cast_to__UpdateRigidBodyMembers(o)
9543 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9545 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9547 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9549 def __init__(self, *args):
9550 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9551 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9553 def do_get_inputs(self, m, pis):
9554 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9555 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9557 def do_get_outputs(self, m, pis):
9558 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9559 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9561 def get_version_info(self):
9562 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9563 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9564 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9567 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9568 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9571 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9572 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9576 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9580 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9582 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9586 def __init__(self, *args):
9587 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9588 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9590 def do_get_inputs(self, m, pis):
9591 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9592 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9594 def do_get_outputs(self, m, pis):
9595 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9596 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9598 def get_version_info(self):
9599 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9600 return _IMP_core._NormalizeRotation_get_version_info(self)
9601 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9604 r"""__str__(_NormalizeRotation self) -> std::string"""
9605 return _IMP_core._NormalizeRotation___str__(self)
9608 r"""__repr__(_NormalizeRotation self) -> std::string"""
9609 return _IMP_core._NormalizeRotation___repr__(self)
9613 return _object_cast_to__NormalizeRotation(o)
9617 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9619 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9623 def __init__(self, *args, **kwargs):
9624 raise AttributeError(
"No constructor defined - class is abstract")
9626 def get_before_modifier(self):
9627 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9628 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9630 def get_container(self):
9631 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9632 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9634 def get_version_info(self):
9635 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9636 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9637 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9640 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9641 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9644 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9645 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9649 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9657 allrbs = jm[
'rigid_bodies']
9658 allrbs.quaternion = _quaternion_normalize(allrbs.quaternion)
9660 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9664 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9666 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9668 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9670 def __init__(self, *args, **kwargs):
9671 raise AttributeError(
"No constructor defined - class is abstract")
9673 def get_version_info(self):
9674 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9675 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9676 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9678 def get_before_modifier(self):
9679 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9680 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9682 def get_after_modifier(self):
9683 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9684 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9687 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9688 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9691 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9692 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9695 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9696 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9700 return _object_cast_to__RigidBodyPositionConstraint(o)
9706 def apply_func(jm, index):
9707 body = jm[
'rigid_bodies'].bodies[index]
9711 return body.update_members(jm)
9713 pindex = self.get_index()
9714 rbindex = _jax_rigid._get_rigid_body_index(self.get_model(), pindex)
9715 f = functools.partial(apply_func, index=rbindex)
9716 return self._wrap_jax(f, keys=[
'rigid_bodies'])
9720 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9722 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9724 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9726 def __init__(self, rb, constituents):
9727 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9728 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9730 def get_version_info(self):
9731 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9732 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9733 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9736 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9737 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9740 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9741 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9745 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9749 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9751 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9753 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9755 def __init__(self, *args):
9757 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9758 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9760 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9762 def get_version_info(self):
9763 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9764 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9765 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9768 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9769 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9772 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9773 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9777 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9781 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9783 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9785 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9787 def __init__(self, sc):
9788 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9789 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9791 def get_version_info(self):
9792 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9793 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9794 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9797 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9798 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9801 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9802 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9806 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9810 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9812 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9814 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9816 def __init__(self, *args):
9818 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9819 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9821 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9823 def get_version_info(self):
9824 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9825 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9826 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9829 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9830 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9833 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9834 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9838 return _object_cast_to_RigidBodyFrameGeometry(o)
9842 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9844 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9846 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9848 def __init__(self, sc):
9849 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9850 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9852 def get_version_info(self):
9853 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9854 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9855 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9858 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9859 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9862 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9863 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9867 return _object_cast_to_RigidBodyFramesGeometry(o)
9871 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9873 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9875 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9877 def __init__(self, p):
9878 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9879 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9882 r"""__str__(RigidBodyTorque self) -> std::string"""
9883 return _IMP_core.RigidBodyTorque___str__(self)
9886 r"""__repr__(RigidBodyTorque self) -> std::string"""
9887 return _IMP_core.RigidBodyTorque___repr__(self)
9891 return _object_cast_to_RigidBodyTorque(o)
9893 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9896 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9897 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9898 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9900 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9903 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9904 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9906 def get_close_pairs(self, *args):
9908 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9909 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9910 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9911 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9913 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9915 def do_get_inputs(self, m, pis):
9916 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9917 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9919 def get_version_info(self):
9920 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9921 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9922 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9925 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9926 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9929 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9930 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9934 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9938 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9940 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9944 def __init__(self, *args):
9946 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9947 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9948 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9950 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9952 def do_add_score_and_derivatives(self, sa, ss):
9953 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9954 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9956 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9957 r"""do_add_score_and_derivatives_moved(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
9958 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9960 def do_get_inputs(self):
9961 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9962 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9964 def get_restraints(self):
9965 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9966 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9968 def set_restraints(self, d):
9969 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9970 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9972 def get_number_of_restraints(self):
9973 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9974 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9976 def clear_restraints(self):
9977 r"""clear_restraints(RestraintsScoringFunction self)"""
9978 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9980 def get_restraint(self, i):
9981 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9982 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9984 def erase_restraint(self, i):
9985 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9986 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9989 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9990 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9993 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9994 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9996 def _python_index_restraint(self, r, start, stop):
9997 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9998 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9999 def __get_restraints(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
10000 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
10001 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
10002 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
10004 def get_version_info(self):
10005 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
10006 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
10007 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
10010 r"""__str__(RestraintsScoringFunction self) -> std::string"""
10011 return _IMP_core.RestraintsScoringFunction___str__(self)
10013 def __repr__(self):
10014 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
10015 return _IMP_core.RestraintsScoringFunction___repr__(self)
10019 return _object_cast_to_RestraintsScoringFunction(o)
10022 def _get_as_binary(self):
10023 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
10024 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
10026 def _set_from_binary(self, p):
10027 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
10028 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
10030 def __getstate__(self):
10031 p = self._get_as_binary()
10032 if len(self.__dict__) > 1:
10033 d = self.__dict__.copy()
10038 def __setstate__(self, p):
10039 if not hasattr(self,
'this'):
10041 if isinstance(p, tuple):
10043 self.__dict__.update(d)
10044 return self._set_from_binary(p)
10047 def _get_jax(self, space=None):
10048 import jax.numpy
as jnp
10050 import IMP._jax_util
10051 restraints = [r.get_derived_object()
for r
in self.restraints]
10053 multi_funcs, funcs, keys = IMP._jax_util.get_restraints_jax_funcs_keys(
10056 rets = [f(jm)
for f
in multi_funcs]
10058 rets.append(jnp.stack([f(jm)
for f
in funcs], axis=-1))
10059 scores = jnp.concatenate(rets, axis=-1)
10060 return jnp.sum(scores, axis=-1)
10061 return IMP._jax_util.JAXRestraintInfo(
10062 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
10066 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
10067 class RigidClosePairsFinder(ClosePairsFinder):
10068 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
10070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10072 def __init__(self, cpf=None):
10073 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
10074 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
10076 def do_get_inputs(self, m, pis):
10077 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10078 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
10080 def get_close_pairs(self, *args):
10082 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
10083 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10084 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10085 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
10086 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
10088 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
10090 def get_version_info(self):
10091 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
10092 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
10093 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
10096 r"""__str__(RigidClosePairsFinder self) -> std::string"""
10097 return _IMP_core.RigidClosePairsFinder___str__(self)
10099 def __repr__(self):
10100 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
10101 return _IMP_core.RigidClosePairsFinder___repr__(self)
10105 return _object_cast_to_RigidClosePairsFinder(o)
10108 def _get_as_binary(self):
10109 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
10110 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
10112 def _set_from_binary(self, p):
10113 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
10114 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
10116 def __getstate__(self):
10117 p = self._get_as_binary()
10118 if len(self.__dict__) > 1:
10119 d = self.__dict__.copy()
10124 def __setstate__(self, p):
10125 if not hasattr(self,
'this'):
10127 if isinstance(p, tuple):
10129 self.__dict__.update(d)
10130 return self._set_from_binary(p)
10134 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
10136 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10139 __repr__ = _swig_repr
10141 def __init__(self, *args):
10143 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10144 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10146 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10148 def do_get_inputs(self, m, pis):
10149 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10150 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10152 def get_score_functor(self, *args):
10154 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10155 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10157 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10159 def get_version_info(self):
10160 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10161 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10162 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10166 return _object_cast_to__SphereDistancePairScore(o)
10169 def _get_as_binary(self):
10170 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10171 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10173 def _set_from_binary(self, p):
10174 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10175 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10177 def __getstate__(self):
10178 p = self._get_as_binary()
10179 if len(self.__dict__) > 1:
10180 d = self.__dict__.copy()
10185 def __setstate__(self, p):
10186 if not hasattr(self,
'this'):
10188 if isinstance(p, tuple):
10190 self.__dict__.update(d)
10191 return self._set_from_binary(p)
10194 def _get_jax(self, m, indexes, space):
10195 import jax.numpy
as jnp
10196 def jax_score(jm, uf):
10197 xyzs = jm[
'xyz'][indexes]
10198 rs = jm[
'r'][indexes]
10199 diff = xyzs[:,0] - xyzs[:,1]
10200 drs = space.distance(diff) - rs.sum(axis=-1)
10202 sfnc = self.get_score_functor()
10203 uf = sfnc.get_unary_function().get_derived_object()
10204 f = functools.partial(jax_score, uf=uf._get_jax())
10205 return self._wrap_jax(m, f)
10209 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10210 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10211 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10215 def __init__(self, *args):
10217 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10218 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10220 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10222 def do_get_inputs(self, m, pis):
10223 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10224 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10226 def get_score_functor(self, *args):
10228 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10229 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10231 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10234 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10235 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10238 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10239 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10241 def get_version_info(self):
10242 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10243 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10244 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10247 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10248 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10250 def __repr__(self):
10251 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10252 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10256 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10259 def _get_as_binary(self):
10260 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10261 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10263 def _set_from_binary(self, p):
10264 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10265 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10267 def __getstate__(self):
10268 p = self._get_as_binary()
10269 if len(self.__dict__) > 1:
10270 d = self.__dict__.copy()
10275 def __setstate__(self, p):
10276 if not hasattr(self,
'this'):
10278 if isinstance(p, tuple):
10280 self.__dict__.update(d)
10281 return self._set_from_binary(p)
10284 def _get_jax(self, m, indexes, space):
10285 import jax.numpy
as jnp
10287 def jax_score(jm, d, k):
10288 xyzs = jm[
'xyz'][indexes]
10289 rs = jm[
'r'][indexes]
10290 diff = xyzs[:,0] - xyzs[:,1]
10291 drs = space.distance(diff) - rs.sum(axis=-1)
10292 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10293 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10294 return self._wrap_jax(m, f)
10298 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10299 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10300 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10304 def __init__(self, d0, k):
10305 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10306 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10308 def get_rest_length(self):
10309 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10310 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10312 def get_stiffness(self):
10313 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10314 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10316 def do_get_inputs(self, m, pis):
10317 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10318 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10320 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10321 r"""evaluate_indexes(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10322 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10324 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10325 r"""evaluate_indexes_scores(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10326 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10328 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10329 r"""evaluate_indexes_delta(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10330 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10332 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10333 r"""evaluate_if_good_indexes(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10334 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10336 def get_version_info(self):
10337 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10338 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10339 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10342 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10343 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10345 def __repr__(self):
10346 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10347 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10351 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10355 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10357 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10361 def __init__(self, *args):
10363 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10364 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10366 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10368 def do_get_inputs(self, m, pis):
10369 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10370 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10372 def get_score_functor(self, *args):
10374 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10375 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10377 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10380 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10381 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10384 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10385 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10387 def get_version_info(self):
10388 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10389 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10390 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10393 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10394 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10396 def __repr__(self):
10397 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10398 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10402 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10405 def _get_as_binary(self):
10406 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10407 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10409 def _set_from_binary(self, p):
10410 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10411 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10413 def __getstate__(self):
10414 p = self._get_as_binary()
10415 if len(self.__dict__) > 1:
10416 d = self.__dict__.copy()
10421 def __setstate__(self, p):
10422 if not hasattr(self,
'this'):
10424 if isinstance(p, tuple):
10426 self.__dict__.update(d)
10427 return self._set_from_binary(p)
10430 def _get_jax(self, m, indexes, space):
10431 import jax.numpy
as jnp
10432 def jax_score(jm, d, k):
10433 xyzs = jm[
'xyz'][indexes]
10434 rs = jm[
'r'][indexes]
10435 diff = xyzs[:,0] - xyzs[:,1]
10436 drs = space.distance(diff) - rs.sum(axis=-1)
10437 return 0.5 * k * (d - drs)**2
10438 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10439 return self._wrap_jax(m, f)
10443 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10445 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10447 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10449 def __init__(self, *args):
10450 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10451 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10453 def do_get_inputs(self, m, pis):
10454 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10455 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10457 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10458 r"""evaluate_indexes(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10459 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10461 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10462 r"""evaluate_indexes_scores(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10463 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10465 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10466 r"""evaluate_indexes_delta(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10467 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10469 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10470 r"""evaluate_if_good_indexes(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10471 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10473 def get_version_info(self):
10474 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10475 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10476 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10479 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10480 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10482 def __repr__(self):
10483 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10484 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10488 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10492 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10494 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10498 def __init__(self, *args):
10499 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10500 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10502 def do_get_inputs(self, m, pis):
10503 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10504 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10506 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10507 r"""evaluate_indexes(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10508 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10510 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10511 r"""evaluate_indexes_scores(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10512 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10514 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10515 r"""evaluate_indexes_delta(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10516 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10518 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10519 r"""evaluate_if_good_indexes(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10520 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10522 def get_version_info(self):
10523 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10524 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10525 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10528 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10529 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10531 def __repr__(self):
10532 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10533 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10537 return _object_cast_to_WeightedSphereDistancePairScore(o)
10541 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10543 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10545 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10547 def __init__(self, *args):
10549 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10550 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10552 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10554 def do_get_inputs(self, m, pis):
10555 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10556 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10558 def get_score_functor(self, *args):
10560 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10561 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10563 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10566 r"""get_k(SoftSpherePairScore self) -> double"""
10567 return _IMP_core.SoftSpherePairScore_get_k(self)
10569 def get_version_info(self):
10570 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10571 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10572 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10575 r"""__str__(SoftSpherePairScore self) -> std::string"""
10576 return _IMP_core.SoftSpherePairScore___str__(self)
10578 def __repr__(self):
10579 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10580 return _IMP_core.SoftSpherePairScore___repr__(self)
10584 return _object_cast_to_SoftSpherePairScore(o)
10587 def _get_as_binary(self):
10588 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10589 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10591 def _set_from_binary(self, p):
10592 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10593 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10595 def __getstate__(self):
10596 p = self._get_as_binary()
10597 if len(self.__dict__) > 1:
10598 d = self.__dict__.copy()
10603 def __setstate__(self, p):
10604 if not hasattr(self,
'this'):
10606 if isinstance(p, tuple):
10608 self.__dict__.update(d)
10609 return self._set_from_binary(p)
10612 def _get_jax(self, m, indexes, space):
10613 import jax.numpy
as jnp
10615 def jax_score(jm, k):
10616 xyzs = jm[
'xyz'][indexes]
10617 rs = jm[
'r'][indexes]
10618 diff = xyzs[:,0] - xyzs[:,1]
10619 drs = space.distance(diff) - rs.sum(axis=-1)
10620 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10621 f = functools.partial(jax_score, k=self.get_k())
10622 return self._wrap_jax(m, f)
10626 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10628 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10630 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10632 def __init__(self, *args):
10633 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10634 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10636 def do_get_inputs(self, m, pis):
10637 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10638 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10640 def get_version_info(self):
10641 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10642 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10643 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10646 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10647 return _IMP_core.SurfaceDistancePairScore___str__(self)
10649 def __repr__(self):
10650 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10651 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10655 return _object_cast_to_SurfaceDistancePairScore(o)
10659 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10661 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10663 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10665 def __init__(self, *args):
10666 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10667 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10669 def do_get_inputs(self, m, pis):
10670 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10671 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10673 def get_version_info(self):
10674 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10675 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10676 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10679 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10680 return _IMP_core.SurfaceHeightPairScore___str__(self)
10682 def __repr__(self):
10683 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10684 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10688 return _object_cast_to_SurfaceHeightPairScore(o)
10692 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10694 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10698 def __init__(self, *args):
10699 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10700 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10702 def do_get_inputs(self, m, pis):
10703 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10704 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10706 def get_version_info(self):
10707 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10708 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10709 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10712 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10713 return _IMP_core.SurfaceDepthPairScore___str__(self)
10715 def __repr__(self):
10716 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10717 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10721 return _object_cast_to_SurfaceDepthPairScore(o)
10725 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10727 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10729 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10731 def __init__(self, *args):
10732 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10733 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10735 def do_get_inputs(self, m, pis):
10736 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10737 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10739 def get_version_info(self):
10740 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10741 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10742 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10745 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10746 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10748 def __repr__(self):
10749 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10750 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10754 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10758 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10760 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10764 def __init__(self, *args):
10765 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10766 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10768 def do_get_inputs(self, m, pis):
10769 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10770 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10772 def get_version_info(self):
10773 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10774 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10775 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10778 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10779 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10781 def __repr__(self):
10782 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10783 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10787 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10791 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10793 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10795 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10797 def __init__(self, *args):
10798 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10799 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10801 def do_get_inputs(self, m, pis):
10802 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10803 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10805 def get_version_info(self):
10806 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10807 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10808 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10811 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10812 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10814 def __repr__(self):
10815 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10816 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10820 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10824 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10826 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10828 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10830 def __init__(self, *args):
10831 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10832 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10834 def do_get_inputs(self, m, pis):
10835 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10836 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10838 def get_version_info(self):
10839 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10840 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10841 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10844 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10845 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10847 def __repr__(self):
10848 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10849 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10853 return _object_cast_to_SoftSuperSurfacePairScore(o)
10857 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10859 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10863 def __init__(self, *args):
10864 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10865 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10867 def do_get_inputs(self, m, pis):
10868 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10869 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10871 def get_version_info(self):
10872 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10873 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10874 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10877 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10878 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10880 def __repr__(self):
10881 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10882 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10886 return _object_cast_to_SoftSubSurfacePairScore(o)
10890 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10892 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10894 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10896 def __init__(self, link_num, link_length):
10897 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10898 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10900 def get_version_info(self):
10901 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10902 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10903 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10905 def get_link_number(self):
10906 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10907 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10909 def get_link_length(self):
10910 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10911 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10913 def set_link_number(self, N):
10914 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10915 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10917 def set_link_length(self, b):
10918 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10919 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10921 def get_distance_at_minimum(self):
10922 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10923 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10925 def get_average_distance(self):
10926 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10927 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10930 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10931 return _IMP_core.SurfaceTetheredChain___str__(self)
10933 def __repr__(self):
10934 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10935 return _IMP_core.SurfaceTetheredChain___repr__(self)
10939 return _object_cast_to_SurfaceTetheredChain(o)
10943 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10945 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10949 def __init__(self, m, ss, rbs):
10950 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10951 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10953 def do_get_inputs(self):
10954 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10955 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10957 def do_get_outputs(self):
10958 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10959 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10961 def get_version_info(self):
10962 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10963 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10964 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10967 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10968 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10970 def __repr__(self):
10971 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10972 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10976 return _object_cast_to_SurfaceSymmetryConstraint(o)
10980 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10982 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10984 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10986 def __init__(self, *args):
10987 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10988 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10990 def do_optimize(self, max_steps):
10991 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10992 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10994 def get_version_info(self):
10995 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10996 return _IMP_core.SteepestDescent_get_version_info(self)
10997 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10999 def set_threshold(self, t):
11000 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
11001 return _IMP_core.SteepestDescent_set_threshold(self, t)
11003 def set_step_size(self, t):
11004 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
11005 return _IMP_core.SteepestDescent_set_step_size(self, t)
11007 def set_maximum_step_size(self, t):
11008 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
11009 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
11012 r"""__str__(SteepestDescent self) -> std::string"""
11013 return _IMP_core.SteepestDescent___str__(self)
11015 def __repr__(self):
11016 r"""__repr__(SteepestDescent self) -> std::string"""
11017 return _IMP_core.SteepestDescent___repr__(self)
11021 return _object_cast_to_SteepestDescent(o)
11025 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
11027 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
11029 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11031 def __init__(self, f, transformation):
11032 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
11033 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
11035 def set_transformation(self, rot):
11036 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
11037 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
11039 def do_get_inputs(self, m, pis):
11040 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11041 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
11043 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11044 r"""evaluate_indexes(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11045 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11047 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11048 r"""evaluate_indexes_scores(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11049 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11051 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11052 r"""evaluate_indexes_delta(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11053 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11055 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11056 r"""evaluate_if_good_indexes(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11057 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11059 def get_version_info(self):
11060 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
11061 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
11062 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
11065 r"""__str__(TransformedDistancePairScore self) -> std::string"""
11066 return _IMP_core.TransformedDistancePairScore___str__(self)
11068 def __repr__(self):
11069 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
11070 return _IMP_core.TransformedDistancePairScore___repr__(self)
11074 return _object_cast_to_TransformedDistancePairScore(o)
11078 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
11080 r"""Proxy of C++ IMP::core::TypedPairScore class."""
11082 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11084 def __init__(self, typekey, allow_invalid_types=True):
11085 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
11086 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
11088 def set_particle_type(self, arg2):
11089 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
11090 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
11092 def set_pair_score(self, ps, atype, btype):
11093 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
11094 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
11096 def do_get_inputs(self, m, pis):
11097 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11098 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
11100 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11101 r"""evaluate_indexes(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11102 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11104 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11105 r"""evaluate_indexes_scores(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11106 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11108 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11109 r"""evaluate_indexes_delta(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11110 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11112 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11113 r"""evaluate_if_good_indexes(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11114 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11116 def get_version_info(self):
11117 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
11118 return _IMP_core.TypedPairScore_get_version_info(self)
11119 __swig_destroy__ = _IMP_core.delete_TypedPairScore
11122 r"""__str__(TypedPairScore self) -> std::string"""
11123 return _IMP_core.TypedPairScore___str__(self)
11125 def __repr__(self):
11126 r"""__repr__(TypedPairScore self) -> std::string"""
11127 return _IMP_core.TypedPairScore___repr__(self)
11131 return _object_cast_to_TypedPairScore(o)
11135 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
11136 class RigidBodyDistancePairScore(KClosePairsPairScore):
11137 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11141 def __init__(self, ps, r):
11142 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11143 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11146 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11147 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11149 def __repr__(self):
11150 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11151 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11155 return _object_cast_to_RigidBodyDistancePairScore(o)
11157 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11160 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11162 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11166 def __init__(self, f):
11167 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11168 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11170 def do_get_inputs(self, m, pis):
11171 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11172 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11174 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11175 r"""evaluate_indexes(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11176 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11178 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11179 r"""evaluate_indexes_scores(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11180 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11182 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11183 r"""evaluate_indexes_delta(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11184 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11186 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11187 r"""evaluate_if_good_indexes(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11188 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11190 def get_version_info(self):
11191 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11192 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11193 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11196 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11197 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11199 def __repr__(self):
11200 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11201 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11205 return _object_cast_to_RigidBodyAnglePairScore(o)
11209 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11211 r"""Proxy of C++ IMP::core::TableRefiner class."""
11213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11215 def __init__(self):
11216 r"""__init__(TableRefiner self) -> TableRefiner"""
11217 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11220 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11221 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11223 def remove_particle(self, p):
11224 r"""remove_particle(TableRefiner self, Particle p)"""
11225 return _IMP_core.TableRefiner_remove_particle(self, p)
11227 def set_particle(self, p, ps):
11228 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11229 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11231 def do_get_inputs(self, m, pis):
11232 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11233 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11235 def get_version_info(self):
11236 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11237 return _IMP_core.TableRefiner_get_version_info(self)
11238 __swig_destroy__ = _IMP_core.delete_TableRefiner
11241 r"""__str__(TableRefiner self) -> std::string"""
11242 return _IMP_core.TableRefiner___str__(self)
11244 def __repr__(self):
11245 r"""__repr__(TableRefiner self) -> std::string"""
11246 return _IMP_core.TableRefiner___repr__(self)
11250 return _object_cast_to_TableRefiner(o)
11254 _IMP_core.TableRefiner_swigregister(TableRefiner)
11255 LOWER = _IMP_core.LOWER
11257 BOTH = _IMP_core.BOTH
11259 UPPER = _IMP_core.UPPER
11262 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11264 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11266 def __init__(self, *args):
11267 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11268 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11270 def set_bounding_box(self, bb):
11271 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11272 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11274 def set_number_of_attempts(self, att):
11275 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11276 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11278 def set_number_of_monte_carlo_steps(self, cg):
11279 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11280 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11282 def set_number_of_conjugate_gradient_steps(self, cg):
11283 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11284 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11286 def set_max_monte_carlo_step_size(self, *args):
11288 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11289 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11291 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11293 def set_is_refining(self, tf):
11294 r"""set_is_refining(MCCGSampler self, bool tf)"""
11295 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11297 def set_local_optimizer(self, opt):
11298 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11299 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11301 def set_save_rejected_configurations(self, tf):
11302 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11303 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11305 def get_rejected_configurations(self):
11306 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11307 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11308 def __get_optimizer_states(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_optimizer_states, getfunc=self.get_optimizer_state, erasefunc=self.erase_optimizer_state, appendfunc=self.add_optimizer_state, extendfunc=self.add_optimizer_states, clearfunc=self.clear_optimizer_states, indexfunc=self._python_index_optimizer_state)
11309 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11310 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11311 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11313 def remove_optimizer_state(self, d):
11314 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11315 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11317 def _python_index_optimizer_state(self, d, start, stop):
11318 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11319 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11321 def remove_optimizer_states(self, d):
11322 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11323 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11325 def set_optimizer_states(self, ps):
11326 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11327 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11329 def set_optimizer_states_order(self, objs):
11330 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11331 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11333 def add_optimizer_state(self, obj):
11334 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11335 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11337 def add_optimizer_states(self, objs):
11338 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11339 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11341 def clear_optimizer_states(self):
11342 r"""clear_optimizer_states(MCCGSampler self)"""
11343 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11345 def get_number_of_optimizer_states(self):
11346 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11347 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11349 def get_has_optimizer_states(self):
11350 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11351 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11353 def get_optimizer_state(self, i):
11354 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11355 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11357 def get_optimizer_states(self):
11358 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11359 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11361 def erase_optimizer_state(self, i):
11362 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11363 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11365 def reserve_optimizer_states(self, sz):
11366 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11367 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11369 def do_sample(self):
11370 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11371 return _IMP_core.MCCGSampler_do_sample(self)
11373 def get_version_info(self):
11374 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11375 return _IMP_core.MCCGSampler_get_version_info(self)
11376 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11379 r"""__str__(MCCGSampler self) -> std::string"""
11380 return _IMP_core.MCCGSampler___str__(self)
11382 def __repr__(self):
11383 r"""__repr__(MCCGSampler self) -> std::string"""
11384 return _IMP_core.MCCGSampler___repr__(self)
11388 return _object_cast_to_MCCGSampler(o)
11392 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11394 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11398 def __init__(self, *args):
11399 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11400 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11402 def do_get_inputs(self):
11403 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11404 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11406 def get_version_info(self):
11407 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11408 return _IMP_core.MinimumRestraint_get_version_info(self)
11409 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11410 def __get_restraints(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
11411 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11412 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11413 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11415 def remove_restraint(self, d):
11416 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11417 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11419 def _python_index_restraint(self, d, start, stop):
11420 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11421 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11423 def remove_restraints(self, d):
11424 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11425 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11427 def set_restraints(self, ps):
11428 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11429 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11431 def set_restraints_order(self, objs):
11432 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11433 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11436 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11437 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11440 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11441 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11443 def clear_restraints(self):
11444 r"""clear_restraints(MinimumRestraint self)"""
11445 return _IMP_core.MinimumRestraint_clear_restraints(self)
11447 def get_number_of_restraints(self):
11448 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11449 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11451 def get_has_restraints(self):
11452 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11453 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11455 def get_restraint(self, i):
11456 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11457 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11459 def get_restraints(self):
11460 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11461 return _IMP_core.MinimumRestraint_get_restraints(self)
11463 def erase_restraint(self, i):
11464 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11465 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11467 def reserve_restraints(self, sz):
11468 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11469 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11472 r"""__str__(MinimumRestraint self) -> std::string"""
11473 return _IMP_core.MinimumRestraint___str__(self)
11475 def __repr__(self):
11476 r"""__repr__(MinimumRestraint self) -> std::string"""
11477 return _IMP_core.MinimumRestraint___repr__(self)
11481 return _object_cast_to_MinimumRestraint(o)
11485 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11486 class Gaussian(RigidBody):
11487 r"""Proxy of C++ IMP::core::Gaussian class."""
11489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11491 def __init__(self, *args):
11493 __init__(Gaussian self) -> Gaussian
11494 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11495 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11497 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11499 def show(self, *args):
11500 r"""show(Gaussian self, _ostream out=std::cout)"""
11501 return _IMP_core.Gaussian_show(self, *args)
11504 def setup_particle(*args):
11506 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11507 setup_particle(_ParticleAdaptor pa) -> Gaussian
11508 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11509 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11511 return _IMP_core.Gaussian_setup_particle(*args)
11514 def get_local_covariance_key():
11515 r"""get_local_covariance_key() -> ObjectKey"""
11516 return _IMP_core.Gaussian_get_local_covariance_key()
11519 def get_global_covariance_key():
11520 r"""get_global_covariance_key() -> ObjectKey"""
11521 return _IMP_core.Gaussian_get_global_covariance_key()
11524 def get_is_setup(*args):
11526 get_is_setup(_ParticleAdaptor p) -> bool
11527 get_is_setup(Model m, ParticleIndex pi) -> bool
11529 return _IMP_core.Gaussian_get_is_setup(*args)
11531 def get_local_covariance(self):
11532 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11533 return _IMP_core.Gaussian_get_local_covariance(self)
11535 def get_variances(self):
11536 r"""get_variances(Gaussian self) -> Vector3D"""
11537 return _IMP_core.Gaussian_get_variances(self)
11539 def get_global_covariance(self):
11540 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11541 return _IMP_core.Gaussian_get_global_covariance(self)
11543 def get_gaussian(self):
11544 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11545 return _IMP_core.Gaussian_get_gaussian(self)
11547 def set_gaussian(self, g):
11548 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11549 return _IMP_core.Gaussian_set_gaussian(self, g)
11551 def set_local_covariance(self, covar):
11552 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11553 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11555 def set_variances(self, v):
11556 r"""set_variances(Gaussian self, Vector3D v)"""
11557 return _IMP_core.Gaussian_set_variances(self, v)
11559 def set_global_covariance(self, covar):
11560 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11561 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11563 def update_global_covariance(self):
11564 r"""update_global_covariance(Gaussian self)"""
11565 return _IMP_core.Gaussian_update_global_covariance(self)
11567 def add_attribute(self, *args):
11569 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11570 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11571 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11572 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11573 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11574 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11575 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11576 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11577 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11578 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11579 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11580 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11582 return _IMP_core.Gaussian_add_attribute(self, *args)
11584 def get_value(self, *args):
11586 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11587 get_value(Gaussian self, IntKey a0) -> IMP::Int
11588 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11589 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11590 get_value(Gaussian self, StringKey a0) -> IMP::String
11591 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11592 get_value(Gaussian self, ObjectKey a0) -> Object
11593 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11594 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11595 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11596 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11598 return _IMP_core.Gaussian_get_value(self, *args)
11600 def set_value(self, *args):
11602 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11603 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11604 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11605 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11606 set_value(Gaussian self, StringKey a0, IMP::String a1)
11607 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11608 set_value(Gaussian self, ObjectKey a0, Object a1)
11609 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11610 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11611 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11612 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11614 return _IMP_core.Gaussian_set_value(self, *args)
11616 def remove_attribute(self, *args):
11618 remove_attribute(Gaussian self, FloatKey a0)
11619 remove_attribute(Gaussian self, IntKey a0)
11620 remove_attribute(Gaussian self, FloatsKey a0)
11621 remove_attribute(Gaussian self, IntsKey a0)
11622 remove_attribute(Gaussian self, StringKey a0)
11623 remove_attribute(Gaussian self, ParticleIndexKey a0)
11624 remove_attribute(Gaussian self, ObjectKey a0)
11625 remove_attribute(Gaussian self, SparseFloatKey a0)
11626 remove_attribute(Gaussian self, SparseIntKey a0)
11627 remove_attribute(Gaussian self, SparseStringKey a0)
11628 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11630 return _IMP_core.Gaussian_remove_attribute(self, *args)
11632 def has_attribute(self, *args):
11634 has_attribute(Gaussian self, FloatKey a0) -> bool
11635 has_attribute(Gaussian self, IntKey a0) -> bool
11636 has_attribute(Gaussian self, FloatsKey a0) -> bool
11637 has_attribute(Gaussian self, IntsKey a0) -> bool
11638 has_attribute(Gaussian self, StringKey a0) -> bool
11639 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11640 has_attribute(Gaussian self, ObjectKey a0) -> bool
11641 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11642 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11643 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11644 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11646 return _IMP_core.Gaussian_has_attribute(self, *args)
11648 def get_derivative(self, a0):
11649 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11650 return _IMP_core.Gaussian_get_derivative(self, a0)
11652 def get_name(self):
11653 r"""get_name(Gaussian self) -> std::string"""
11654 return _IMP_core.Gaussian_get_name(self)
11656 def clear_caches(self):
11657 r"""clear_caches(Gaussian self)"""
11658 return _IMP_core.Gaussian_clear_caches(self)
11660 def set_name(self, a0):
11661 r"""set_name(Gaussian self, std::string a0)"""
11662 return _IMP_core.Gaussian_set_name(self, a0)
11665 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11666 return _IMP_core.Gaussian_set_check_level(self, a0)
11668 def add_to_derivative(self, a0, a1, a2):
11669 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11670 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11672 def set_is_optimized(self, a0, a1):
11673 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11674 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11676 def get_is_optimized(self, a0):
11677 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11678 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11681 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11682 return _IMP_core.Gaussian_get_check_level(self)
11684 def __eq__(self, *args):
11686 __eq__(Gaussian self, Gaussian o) -> bool
11687 __eq__(Gaussian self, Particle d) -> bool
11689 return _IMP_core.Gaussian___eq__(self, *args)
11691 def __ne__(self, *args):
11693 __ne__(Gaussian self, Gaussian o) -> bool
11694 __ne__(Gaussian self, Particle d) -> bool
11696 return _IMP_core.Gaussian___ne__(self, *args)
11698 def __le__(self, *args):
11700 __le__(Gaussian self, Gaussian o) -> bool
11701 __le__(Gaussian self, Particle d) -> bool
11703 return _IMP_core.Gaussian___le__(self, *args)
11705 def __lt__(self, *args):
11707 __lt__(Gaussian self, Gaussian o) -> bool
11708 __lt__(Gaussian self, Particle d) -> bool
11710 return _IMP_core.Gaussian___lt__(self, *args)
11712 def __ge__(self, *args):
11714 __ge__(Gaussian self, Gaussian o) -> bool
11715 __ge__(Gaussian self, Particle d) -> bool
11717 return _IMP_core.Gaussian___ge__(self, *args)
11719 def __gt__(self, *args):
11721 __gt__(Gaussian self, Gaussian o) -> bool
11722 __gt__(Gaussian self, Particle d) -> bool
11724 return _IMP_core.Gaussian___gt__(self, *args)
11726 def __hash__(self):
11727 r"""__hash__(Gaussian self) -> std::size_t"""
11728 return _IMP_core.Gaussian___hash__(self)
11731 r"""__str__(Gaussian self) -> std::string"""
11732 return _IMP_core.Gaussian___str__(self)
11734 def __repr__(self):
11735 r"""__repr__(Gaussian self) -> std::string"""
11736 return _IMP_core.Gaussian___repr__(self)
11738 def _get_as_binary(self):
11739 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11740 return _IMP_core.Gaussian__get_as_binary(self)
11742 def _set_from_binary(self, p):
11743 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11744 return _IMP_core.Gaussian__set_from_binary(self, p)
11746 def __getstate__(self):
11747 p = self._get_as_binary()
11748 if len(self.__dict__) > 1:
11749 d = self.__dict__.copy()
11754 def __setstate__(self, p):
11755 if not hasattr(self,
'this'):
11757 if isinstance(p, tuple):
11759 self.__dict__.update(d)
11760 return self._set_from_binary(p)
11762 __swig_destroy__ = _IMP_core.delete_Gaussian
11765 _IMP_core.Gaussian_swigregister(Gaussian)
11767 r"""Proxy of C++ IMP::core::PairRestraint class."""
11769 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11771 def __init__(self, *args):
11773 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11774 __init__(PairRestraint self) -> PairRestraint
11776 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11778 def get_score_object(self):
11779 r"""get_score_object(PairRestraint self) -> PairScore"""
11780 return _IMP_core.PairRestraint_get_score_object(self)
11783 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11784 return _IMP_core.PairRestraint_get_index(self)
11786 def get_version_info(self):
11787 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11788 return _IMP_core.PairRestraint_get_version_info(self)
11789 __swig_destroy__ = _IMP_core.delete_PairRestraint
11792 r"""__str__(PairRestraint self) -> std::string"""
11793 return _IMP_core.PairRestraint___str__(self)
11795 def __repr__(self):
11796 r"""__repr__(PairRestraint self) -> std::string"""
11797 return _IMP_core.PairRestraint___repr__(self)
11801 return _object_cast_to_PairRestraint(o)
11804 def _get_as_binary(self):
11805 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11806 return _IMP_core.PairRestraint__get_as_binary(self)
11808 def _set_from_binary(self, p):
11809 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11810 return _IMP_core.PairRestraint__set_from_binary(self, p)
11812 def __getstate__(self):
11813 p = self._get_as_binary()
11814 if len(self.__dict__) > 1:
11815 d = self.__dict__.copy()
11820 def __setstate__(self, p):
11821 if not hasattr(self,
'this'):
11823 if isinstance(p, tuple):
11825 self.__dict__.update(d)
11826 return self._set_from_binary(p)
11829 def _get_jax(self, space):
11830 from .
import _jax_util
11831 return _jax_util._get_jax_restraint(self, space)
11834 def _get_jax_multiple(cls, restraints, space):
11835 from .
import _jax_util
11836 return _jax_util._get_jax_multi_restraint(cls, restraints, space)
11840 _IMP_core.PairRestraint_swigregister(PairRestraint)
11842 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11846 def __init__(self, *args):
11848 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11849 __init__(SingletonRestraint self) -> SingletonRestraint
11851 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11853 def get_score_object(self):
11854 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11855 return _IMP_core.SingletonRestraint_get_score_object(self)
11858 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11859 return _IMP_core.SingletonRestraint_get_index(self)
11861 def get_version_info(self):
11862 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11863 return _IMP_core.SingletonRestraint_get_version_info(self)
11864 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11867 r"""__str__(SingletonRestraint self) -> std::string"""
11868 return _IMP_core.SingletonRestraint___str__(self)
11870 def __repr__(self):
11871 r"""__repr__(SingletonRestraint self) -> std::string"""
11872 return _IMP_core.SingletonRestraint___repr__(self)
11876 return _object_cast_to_SingletonRestraint(o)
11879 def _get_as_binary(self):
11880 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11881 return _IMP_core.SingletonRestraint__get_as_binary(self)
11883 def _set_from_binary(self, p):
11884 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11885 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11887 def __getstate__(self):
11888 p = self._get_as_binary()
11889 if len(self.__dict__) > 1:
11890 d = self.__dict__.copy()
11895 def __setstate__(self, p):
11896 if not hasattr(self,
'this'):
11898 if isinstance(p, tuple):
11900 self.__dict__.update(d)
11901 return self._set_from_binary(p)
11904 def _get_jax(self, space):
11905 from .
import _jax_util
11906 return _jax_util._get_jax_restraint(self, space)
11909 def _get_jax_multiple(cls, restraints, space):
11910 from .
import _jax_util
11911 return _jax_util._get_jax_multi_restraint(cls, restraints, space)
11915 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11917 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11919 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11921 def __init__(self, *args):
11923 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11924 __init__(TripletRestraint self) -> TripletRestraint
11926 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11928 def get_score_object(self):
11929 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11930 return _IMP_core.TripletRestraint_get_score_object(self)
11933 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11934 return _IMP_core.TripletRestraint_get_index(self)
11936 def get_version_info(self):
11937 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11938 return _IMP_core.TripletRestraint_get_version_info(self)
11939 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11942 r"""__str__(TripletRestraint self) -> std::string"""
11943 return _IMP_core.TripletRestraint___str__(self)
11945 def __repr__(self):
11946 r"""__repr__(TripletRestraint self) -> std::string"""
11947 return _IMP_core.TripletRestraint___repr__(self)
11951 return _object_cast_to_TripletRestraint(o)
11954 def _get_as_binary(self):
11955 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11956 return _IMP_core.TripletRestraint__get_as_binary(self)
11958 def _set_from_binary(self, p):
11959 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11960 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11962 def __getstate__(self):
11963 p = self._get_as_binary()
11964 if len(self.__dict__) > 1:
11965 d = self.__dict__.copy()
11970 def __setstate__(self, p):
11971 if not hasattr(self,
'this'):
11973 if isinstance(p, tuple):
11975 self.__dict__.update(d)
11976 return self._set_from_binary(p)
11980 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11982 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11984 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11986 def __init__(self, *args):
11988 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11989 __init__(QuadRestraint self) -> QuadRestraint
11991 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11993 def get_score_object(self):
11994 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11995 return _IMP_core.QuadRestraint_get_score_object(self)
11998 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11999 return _IMP_core.QuadRestraint_get_index(self)
12001 def get_version_info(self):
12002 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
12003 return _IMP_core.QuadRestraint_get_version_info(self)
12004 __swig_destroy__ = _IMP_core.delete_QuadRestraint
12007 r"""__str__(QuadRestraint self) -> std::string"""
12008 return _IMP_core.QuadRestraint___str__(self)
12010 def __repr__(self):
12011 r"""__repr__(QuadRestraint self) -> std::string"""
12012 return _IMP_core.QuadRestraint___repr__(self)
12016 return _object_cast_to_QuadRestraint(o)
12019 def _get_as_binary(self):
12020 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
12021 return _IMP_core.QuadRestraint__get_as_binary(self)
12023 def _set_from_binary(self, p):
12024 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
12025 return _IMP_core.QuadRestraint__set_from_binary(self, p)
12027 def __getstate__(self):
12028 p = self._get_as_binary()
12029 if len(self.__dict__) > 1:
12030 d = self.__dict__.copy()
12035 def __setstate__(self, p):
12036 if not hasattr(self,
'this'):
12038 if isinstance(p, tuple):
12040 self.__dict__.update(d)
12041 return self._set_from_binary(p)
12045 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
12047 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
12049 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12051 def __init__(self, *args):
12053 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
12054 __init__(SingletonConstraint self) -> SingletonConstraint
12056 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
12058 def get_before_modifier(self):
12059 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
12060 return _IMP_core.SingletonConstraint_get_before_modifier(self)
12063 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
12064 return _IMP_core.SingletonConstraint_get_index(self)
12066 def get_version_info(self):
12067 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
12068 return _IMP_core.SingletonConstraint_get_version_info(self)
12069 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
12072 r"""__str__(SingletonConstraint self) -> std::string"""
12073 return _IMP_core.SingletonConstraint___str__(self)
12075 def __repr__(self):
12076 r"""__repr__(SingletonConstraint self) -> std::string"""
12077 return _IMP_core.SingletonConstraint___repr__(self)
12081 return _object_cast_to_SingletonConstraint(o)
12084 def _get_as_binary(self):
12085 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
12086 return _IMP_core.SingletonConstraint__get_as_binary(self)
12088 def _set_from_binary(self, p):
12089 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
12090 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
12092 def __getstate__(self):
12093 p = self._get_as_binary()
12094 if len(self.__dict__) > 1:
12095 d = self.__dict__.copy()
12100 def __setstate__(self, p):
12101 if not hasattr(self,
'this'):
12103 if isinstance(p, tuple):
12105 self.__dict__.update(d)
12106 return self._set_from_binary(p)
12109 def _get_jax(self):
12110 import jax.numpy
as jnp
12111 indexes = jnp.array([self.get_index()])
12112 mod = self.get_before_modifier().get_derived_object()
12113 ji = mod._get_jax(self.get_model(), indexes)
12114 return self._wrap_jax(ji.apply_func, keys=ji._keys)
12118 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
12120 r"""Proxy of C++ IMP::core::PairConstraint class."""
12122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12124 def __init__(self, *args):
12126 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
12127 __init__(PairConstraint self) -> PairConstraint
12129 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
12131 def get_before_modifier(self):
12132 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
12133 return _IMP_core.PairConstraint_get_before_modifier(self)
12136 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
12137 return _IMP_core.PairConstraint_get_index(self)
12139 def get_version_info(self):
12140 r"""get_version_info(PairConstraint self) -> VersionInfo"""
12141 return _IMP_core.PairConstraint_get_version_info(self)
12142 __swig_destroy__ = _IMP_core.delete_PairConstraint
12145 r"""__str__(PairConstraint self) -> std::string"""
12146 return _IMP_core.PairConstraint___str__(self)
12148 def __repr__(self):
12149 r"""__repr__(PairConstraint self) -> std::string"""
12150 return _IMP_core.PairConstraint___repr__(self)
12154 return _object_cast_to_PairConstraint(o)
12157 def _get_as_binary(self):
12158 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12159 return _IMP_core.PairConstraint__get_as_binary(self)
12161 def _set_from_binary(self, p):
12162 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12163 return _IMP_core.PairConstraint__set_from_binary(self, p)
12165 def __getstate__(self):
12166 p = self._get_as_binary()
12167 if len(self.__dict__) > 1:
12168 d = self.__dict__.copy()
12173 def __setstate__(self, p):
12174 if not hasattr(self,
'this'):
12176 if isinstance(p, tuple):
12178 self.__dict__.update(d)
12179 return self._set_from_binary(p)
12183 _IMP_core.PairConstraint_swigregister(PairConstraint)
12185 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12187 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12189 def __init__(self, *args):
12191 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12192 __init__(TripletConstraint self) -> TripletConstraint
12194 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12196 def get_before_modifier(self):
12197 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12198 return _IMP_core.TripletConstraint_get_before_modifier(self)
12201 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12202 return _IMP_core.TripletConstraint_get_index(self)
12204 def get_version_info(self):
12205 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12206 return _IMP_core.TripletConstraint_get_version_info(self)
12207 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12210 r"""__str__(TripletConstraint self) -> std::string"""
12211 return _IMP_core.TripletConstraint___str__(self)
12213 def __repr__(self):
12214 r"""__repr__(TripletConstraint self) -> std::string"""
12215 return _IMP_core.TripletConstraint___repr__(self)
12219 return _object_cast_to_TripletConstraint(o)
12222 def _get_as_binary(self):
12223 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12224 return _IMP_core.TripletConstraint__get_as_binary(self)
12226 def _set_from_binary(self, p):
12227 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12228 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12230 def __getstate__(self):
12231 p = self._get_as_binary()
12232 if len(self.__dict__) > 1:
12233 d = self.__dict__.copy()
12238 def __setstate__(self, p):
12239 if not hasattr(self,
'this'):
12241 if isinstance(p, tuple):
12243 self.__dict__.update(d)
12244 return self._set_from_binary(p)
12248 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12250 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12254 def __init__(self, *args):
12256 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12257 __init__(QuadConstraint self) -> QuadConstraint
12259 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12261 def get_before_modifier(self):
12262 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12263 return _IMP_core.QuadConstraint_get_before_modifier(self)
12266 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12267 return _IMP_core.QuadConstraint_get_index(self)
12269 def get_version_info(self):
12270 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12271 return _IMP_core.QuadConstraint_get_version_info(self)
12272 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12275 r"""__str__(QuadConstraint self) -> std::string"""
12276 return _IMP_core.QuadConstraint___str__(self)
12278 def __repr__(self):
12279 r"""__repr__(QuadConstraint self) -> std::string"""
12280 return _IMP_core.QuadConstraint___repr__(self)
12284 return _object_cast_to_QuadConstraint(o)
12287 def _get_as_binary(self):
12288 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12289 return _IMP_core.QuadConstraint__get_as_binary(self)
12291 def _set_from_binary(self, p):
12292 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12293 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12295 def __getstate__(self):
12296 p = self._get_as_binary()
12297 if len(self.__dict__) > 1:
12298 d = self.__dict__.copy()
12303 def __setstate__(self, p):
12304 if not hasattr(self,
'this'):
12306 if isinstance(p, tuple):
12308 self.__dict__.update(d)
12309 return self._set_from_binary(p)
12313 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12315 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12317 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12319 def __init__(self, *args):
12321 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12322 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12324 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12326 def do_get_inputs(self, arg2, arg3):
12327 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12328 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12330 def get_value(self, *args):
12332 get_value(ConstantSingletonPredicate self, Particle a) -> int
12333 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12335 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12337 def get_value_index(self, *args):
12339 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12340 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12342 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12344 def get_version_info(self):
12345 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12346 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12347 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12350 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12351 return _IMP_core.ConstantSingletonPredicate___str__(self)
12353 def __repr__(self):
12354 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12355 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12359 return _object_cast_to_ConstantSingletonPredicate(o)
12362 def _get_as_binary(self):
12363 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12364 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12366 def _set_from_binary(self, p):
12367 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12368 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12370 def __getstate__(self):
12371 p = self._get_as_binary()
12372 if len(self.__dict__) > 1:
12373 d = self.__dict__.copy()
12378 def __setstate__(self, p):
12379 if not hasattr(self,
'this'):
12381 if isinstance(p, tuple):
12383 self.__dict__.update(d)
12384 return self._set_from_binary(p)
12388 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12390 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12392 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12394 def __init__(self, *args):
12395 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12396 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12398 def do_get_inputs(self, m, pis):
12399 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12400 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12402 def get_value(self, *args):
12404 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12405 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12407 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12409 def get_value_index(self, *args):
12411 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12412 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12414 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12416 def get_version_info(self):
12417 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12418 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12419 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12422 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12423 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12425 def __repr__(self):
12426 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12427 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12431 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12434 def _get_as_binary(self):
12435 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12436 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12438 def _set_from_binary(self, p):
12439 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12440 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12442 def __getstate__(self):
12443 p = self._get_as_binary()
12444 if len(self.__dict__) > 1:
12445 d = self.__dict__.copy()
12450 def __setstate__(self, p):
12451 if not hasattr(self,
'this'):
12453 if isinstance(p, tuple):
12455 self.__dict__.update(d)
12456 return self._set_from_binary(p)
12460 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12462 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12464 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12466 def __init__(self, *args):
12467 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12468 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12470 def do_get_inputs(self, m, pis):
12471 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12472 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12474 def get_value(self, *args):
12476 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12477 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12478 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12480 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12482 def get_value_index(self, *args):
12484 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12485 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12487 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12489 def get_version_info(self):
12490 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12491 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12492 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12495 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12496 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12498 def __repr__(self):
12499 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12500 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12504 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12508 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12510 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12514 def __init__(self, *args):
12515 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12516 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12518 def do_get_inputs(self, arg2, arg3):
12519 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12520 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12522 def get_value(self, *args):
12524 get_value(AllSameSingletonPredicate self, Particle a) -> int
12525 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12527 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12529 def get_value_index(self, *args):
12531 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12532 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12534 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12536 def get_version_info(self):
12537 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12538 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12539 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12542 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12543 return _IMP_core.AllSameSingletonPredicate___str__(self)
12545 def __repr__(self):
12546 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12547 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12551 return _object_cast_to_AllSameSingletonPredicate(o)
12554 def _get_as_binary(self):
12555 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12556 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12558 def _set_from_binary(self, p):
12559 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12560 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12562 def __getstate__(self):
12563 p = self._get_as_binary()
12564 if len(self.__dict__) > 1:
12565 d = self.__dict__.copy()
12570 def __setstate__(self, p):
12571 if not hasattr(self,
'this'):
12573 if isinstance(p, tuple):
12575 self.__dict__.update(d)
12576 return self._set_from_binary(p)
12580 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12582 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12586 def __init__(self, *args):
12587 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12588 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12590 def do_get_inputs(self, arg2, arg3):
12591 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12592 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12594 def get_value(self, *args):
12596 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12597 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12599 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12601 def get_value_index(self, *args):
12603 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12604 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12606 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12608 def get_version_info(self):
12609 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12610 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12611 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12614 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12615 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12617 def __repr__(self):
12618 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12619 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12623 return _object_cast_to_CoinFlipSingletonPredicate(o)
12627 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12629 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12633 def __init__(self, *args):
12635 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12636 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12638 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12640 def do_get_inputs(self, arg2, arg3):
12641 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12642 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12644 def get_value(self, *args):
12646 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12647 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12649 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12651 def get_value_index(self, *args):
12653 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12654 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12656 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12658 def get_version_info(self):
12659 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12660 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12661 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12664 r"""__str__(ConstantPairPredicate self) -> std::string"""
12665 return _IMP_core.ConstantPairPredicate___str__(self)
12667 def __repr__(self):
12668 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12669 return _IMP_core.ConstantPairPredicate___repr__(self)
12673 return _object_cast_to_ConstantPairPredicate(o)
12676 def _get_as_binary(self):
12677 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12678 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12680 def _set_from_binary(self, p):
12681 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12682 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12684 def __getstate__(self):
12685 p = self._get_as_binary()
12686 if len(self.__dict__) > 1:
12687 d = self.__dict__.copy()
12692 def __setstate__(self, p):
12693 if not hasattr(self,
'this'):
12695 if isinstance(p, tuple):
12697 self.__dict__.update(d)
12698 return self._set_from_binary(p)
12702 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12704 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12708 def __init__(self, *args):
12709 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12710 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12712 def do_get_inputs(self, m, pis):
12713 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12714 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12716 def get_value(self, *args):
12718 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12719 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12721 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12723 def get_value_index(self, *args):
12725 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12726 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12728 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12730 def get_version_info(self):
12731 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12732 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12733 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12736 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12737 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12739 def __repr__(self):
12740 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12741 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12745 return _object_cast_to_UnorderedTypePairPredicate(o)
12748 def _get_as_binary(self):
12749 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12750 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12752 def _set_from_binary(self, p):
12753 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12754 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12756 def __getstate__(self):
12757 p = self._get_as_binary()
12758 if len(self.__dict__) > 1:
12759 d = self.__dict__.copy()
12764 def __setstate__(self, p):
12765 if not hasattr(self,
'this'):
12767 if isinstance(p, tuple):
12769 self.__dict__.update(d)
12770 return self._set_from_binary(p)
12774 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12776 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12780 def __init__(self, *args):
12781 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12782 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12784 def do_get_inputs(self, m, pis):
12785 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12786 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12788 def get_value(self, *args):
12790 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12791 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12792 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12794 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12796 def get_value_index(self, *args):
12798 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12799 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12801 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12803 def get_version_info(self):
12804 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12805 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12806 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12809 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12810 return _IMP_core.OrderedTypePairPredicate___str__(self)
12812 def __repr__(self):
12813 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12814 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12818 return _object_cast_to_OrderedTypePairPredicate(o)
12822 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12824 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12826 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12828 def __init__(self, *args):
12829 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12830 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12832 def do_get_inputs(self, arg2, arg3):
12833 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12834 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12836 def get_value(self, *args):
12838 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12839 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12841 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12843 def get_value_index(self, *args):
12845 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12846 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12848 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12850 def get_version_info(self):
12851 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12852 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12853 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12856 r"""__str__(AllSamePairPredicate self) -> std::string"""
12857 return _IMP_core.AllSamePairPredicate___str__(self)
12859 def __repr__(self):
12860 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12861 return _IMP_core.AllSamePairPredicate___repr__(self)
12865 return _object_cast_to_AllSamePairPredicate(o)
12868 def _get_as_binary(self):
12869 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12870 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12872 def _set_from_binary(self, p):
12873 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12874 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12876 def __getstate__(self):
12877 p = self._get_as_binary()
12878 if len(self.__dict__) > 1:
12879 d = self.__dict__.copy()
12884 def __setstate__(self, p):
12885 if not hasattr(self,
'this'):
12887 if isinstance(p, tuple):
12889 self.__dict__.update(d)
12890 return self._set_from_binary(p)
12894 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12896 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12898 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12900 def __init__(self, *args):
12901 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12902 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12904 def do_get_inputs(self, arg2, arg3):
12905 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12906 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12908 def get_value(self, *args):
12910 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12911 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12913 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12915 def get_value_index(self, *args):
12917 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12918 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12920 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12922 def get_version_info(self):
12923 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12924 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12925 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12928 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12929 return _IMP_core.CoinFlipPairPredicate___str__(self)
12931 def __repr__(self):
12932 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12933 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12937 return _object_cast_to_CoinFlipPairPredicate(o)
12941 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12943 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12945 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12947 def __init__(self, *args):
12949 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12950 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12952 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12954 def do_get_inputs(self, arg2, arg3):
12955 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12956 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12958 def get_value(self, *args):
12960 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12961 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12963 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12965 def get_value_index(self, *args):
12967 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12968 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12970 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12972 def get_version_info(self):
12973 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12974 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12975 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12978 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12979 return _IMP_core.ConstantTripletPredicate___str__(self)
12981 def __repr__(self):
12982 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12983 return _IMP_core.ConstantTripletPredicate___repr__(self)
12987 return _object_cast_to_ConstantTripletPredicate(o)
12990 def _get_as_binary(self):
12991 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12992 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12994 def _set_from_binary(self, p):
12995 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12996 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12998 def __getstate__(self):
12999 p = self._get_as_binary()
13000 if len(self.__dict__) > 1:
13001 d = self.__dict__.copy()
13006 def __setstate__(self, p):
13007 if not hasattr(self,
'this'):
13009 if isinstance(p, tuple):
13011 self.__dict__.update(d)
13012 return self._set_from_binary(p)
13016 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
13018 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
13020 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13022 def __init__(self, *args):
13023 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
13024 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
13026 def do_get_inputs(self, m, pis):
13027 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13028 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13030 def get_value(self, *args):
13032 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13033 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13035 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
13037 def get_value_index(self, *args):
13039 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13040 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13042 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
13044 def get_version_info(self):
13045 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
13046 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
13047 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
13050 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
13051 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
13053 def __repr__(self):
13054 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
13055 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
13059 return _object_cast_to_UnorderedTypeTripletPredicate(o)
13062 def _get_as_binary(self):
13063 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
13064 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
13066 def _set_from_binary(self, p):
13067 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
13068 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
13070 def __getstate__(self):
13071 p = self._get_as_binary()
13072 if len(self.__dict__) > 1:
13073 d = self.__dict__.copy()
13078 def __setstate__(self, p):
13079 if not hasattr(self,
'this'):
13081 if isinstance(p, tuple):
13083 self.__dict__.update(d)
13084 return self._set_from_binary(p)
13088 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
13090 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
13092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13094 def __init__(self, *args):
13095 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
13096 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
13098 def do_get_inputs(self, m, pis):
13099 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13100 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13102 def get_value(self, *args):
13104 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
13105 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13106 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13108 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
13110 def get_value_index(self, *args):
13112 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13113 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13115 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
13117 def get_version_info(self):
13118 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
13119 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
13120 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
13123 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
13124 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
13126 def __repr__(self):
13127 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
13128 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
13132 return _object_cast_to_OrderedTypeTripletPredicate(o)
13136 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
13138 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
13140 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13142 def __init__(self, *args):
13143 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
13144 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
13146 def do_get_inputs(self, arg2, arg3):
13147 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13148 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13150 def get_value(self, *args):
13152 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13153 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13155 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13157 def get_value_index(self, *args):
13159 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13160 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13162 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13164 def get_version_info(self):
13165 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13166 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13167 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13170 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13171 return _IMP_core.AllSameTripletPredicate___str__(self)
13173 def __repr__(self):
13174 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13175 return _IMP_core.AllSameTripletPredicate___repr__(self)
13179 return _object_cast_to_AllSameTripletPredicate(o)
13182 def _get_as_binary(self):
13183 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13184 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13186 def _set_from_binary(self, p):
13187 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13188 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13190 def __getstate__(self):
13191 p = self._get_as_binary()
13192 if len(self.__dict__) > 1:
13193 d = self.__dict__.copy()
13198 def __setstate__(self, p):
13199 if not hasattr(self,
'this'):
13201 if isinstance(p, tuple):
13203 self.__dict__.update(d)
13204 return self._set_from_binary(p)
13208 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13210 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13214 def __init__(self, *args):
13215 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13216 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13218 def do_get_inputs(self, arg2, arg3):
13219 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13220 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13222 def get_value(self, *args):
13224 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13225 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13227 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13229 def get_value_index(self, *args):
13231 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13232 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13234 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13236 def get_version_info(self):
13237 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13238 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13239 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13242 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13243 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13245 def __repr__(self):
13246 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13247 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13251 return _object_cast_to_CoinFlipTripletPredicate(o)
13255 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13257 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13261 def __init__(self, *args):
13263 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13264 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13266 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13268 def do_get_inputs(self, arg2, arg3):
13269 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13270 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13272 def get_value(self, *args):
13274 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13275 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13277 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13279 def get_value_index(self, *args):
13281 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13282 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13284 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13286 def get_version_info(self):
13287 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13288 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13289 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13292 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13293 return _IMP_core.ConstantQuadPredicate___str__(self)
13295 def __repr__(self):
13296 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13297 return _IMP_core.ConstantQuadPredicate___repr__(self)
13301 return _object_cast_to_ConstantQuadPredicate(o)
13304 def _get_as_binary(self):
13305 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13306 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13308 def _set_from_binary(self, p):
13309 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13310 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13312 def __getstate__(self):
13313 p = self._get_as_binary()
13314 if len(self.__dict__) > 1:
13315 d = self.__dict__.copy()
13320 def __setstate__(self, p):
13321 if not hasattr(self,
'this'):
13323 if isinstance(p, tuple):
13325 self.__dict__.update(d)
13326 return self._set_from_binary(p)
13330 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13332 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13336 def __init__(self, *args):
13337 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13338 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13340 def do_get_inputs(self, m, pis):
13341 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13342 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13344 def get_value(self, *args):
13346 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13347 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13349 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13351 def get_value_index(self, *args):
13353 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13354 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13356 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13358 def get_version_info(self):
13359 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13360 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13361 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13364 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13365 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13367 def __repr__(self):
13368 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13369 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13373 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13376 def _get_as_binary(self):
13377 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13378 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13380 def _set_from_binary(self, p):
13381 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13382 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13384 def __getstate__(self):
13385 p = self._get_as_binary()
13386 if len(self.__dict__) > 1:
13387 d = self.__dict__.copy()
13392 def __setstate__(self, p):
13393 if not hasattr(self,
'this'):
13395 if isinstance(p, tuple):
13397 self.__dict__.update(d)
13398 return self._set_from_binary(p)
13402 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13404 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13406 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13408 def __init__(self, *args):
13409 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13410 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13412 def do_get_inputs(self, m, pis):
13413 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13414 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13416 def get_value(self, *args):
13418 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13419 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13420 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13422 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13424 def get_value_index(self, *args):
13426 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13427 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13429 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13431 def get_version_info(self):
13432 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13433 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13434 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13437 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13438 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13440 def __repr__(self):
13441 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13442 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13446 return _object_cast_to_OrderedTypeQuadPredicate(o)
13450 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13452 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13454 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13456 def __init__(self, *args):
13457 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13458 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13460 def do_get_inputs(self, arg2, arg3):
13461 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13462 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13464 def get_value(self, *args):
13466 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13467 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13469 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13471 def get_value_index(self, *args):
13473 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13474 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13476 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13478 def get_version_info(self):
13479 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13480 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13481 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13484 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13485 return _IMP_core.AllSameQuadPredicate___str__(self)
13487 def __repr__(self):
13488 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13489 return _IMP_core.AllSameQuadPredicate___repr__(self)
13493 return _object_cast_to_AllSameQuadPredicate(o)
13496 def _get_as_binary(self):
13497 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13498 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13500 def _set_from_binary(self, p):
13501 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13502 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13504 def __getstate__(self):
13505 p = self._get_as_binary()
13506 if len(self.__dict__) > 1:
13507 d = self.__dict__.copy()
13512 def __setstate__(self, p):
13513 if not hasattr(self,
'this'):
13515 if isinstance(p, tuple):
13517 self.__dict__.update(d)
13518 return self._set_from_binary(p)
13522 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13524 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13528 def __init__(self, *args):
13529 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13530 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13532 def do_get_inputs(self, arg2, arg3):
13533 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13534 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13536 def get_value(self, *args):
13538 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13539 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13541 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13543 def get_value_index(self, *args):
13545 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13546 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13548 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13550 def get_version_info(self):
13551 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13552 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13553 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13556 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13557 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13559 def __repr__(self):
13560 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13561 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13565 return _object_cast_to_CoinFlipQuadPredicate(o)
13569 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13571 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13573 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13575 def __init__(self, *args):
13576 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13577 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13579 def do_get_inputs(self, m, pi):
13580 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13581 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13583 def get_value(self, *args):
13585 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13586 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13588 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13590 def get_value_index(self, *args):
13592 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13593 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13595 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13597 def get_version_info(self):
13598 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13599 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13600 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13603 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13604 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13606 def __repr__(self):
13607 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13608 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13612 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13616 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13618 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13622 def __init__(self, *args):
13623 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13624 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13626 def do_get_inputs(self, m, pi):
13627 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13628 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13630 def get_value(self, *args):
13632 get_value(AttributeSingletonPredicate self, Particle a) -> int
13633 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13635 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13637 def get_value_index(self, *args):
13639 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13640 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13642 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13644 def get_version_info(self):
13645 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13646 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13647 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13650 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13651 return _IMP_core.AttributeSingletonPredicate___str__(self)
13653 def __repr__(self):
13654 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13655 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13659 return _object_cast_to_AttributeSingletonPredicate(o)
13663 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13665 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13667 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13669 def __init__(self, *args):
13670 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13671 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13673 def do_get_inputs(self, m, pi):
13674 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13675 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13677 def get_value(self, *args):
13679 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13680 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13682 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13684 def get_value_index(self, *args):
13686 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13687 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13689 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13691 def get_version_info(self):
13692 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13693 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13694 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13697 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13698 return _IMP_core.IsCollisionPairPredicate___str__(self)
13700 def __repr__(self):
13701 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13702 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13706 return _object_cast_to_IsCollisionPairPredicate(o)
13710 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13711 class AngleRestraint(TripletRestraint):
13712 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13716 def __init__(self, *args):
13718 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13719 __init__(AngleRestraint self) -> AngleRestraint
13721 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13722 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13725 r"""__str__(AngleRestraint self) -> std::string"""
13726 return _IMP_core.AngleRestraint___str__(self)
13728 def __repr__(self):
13729 r"""__repr__(AngleRestraint self) -> std::string"""
13730 return _IMP_core.AngleRestraint___repr__(self)
13734 return _object_cast_to_AngleRestraint(o)
13737 def _get_as_binary(self):
13738 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13739 return _IMP_core.AngleRestraint__get_as_binary(self)
13741 def _set_from_binary(self, p):
13742 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13743 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13745 def __getstate__(self):
13746 p = self._get_as_binary()
13747 if len(self.__dict__) > 1:
13748 d = self.__dict__.copy()
13753 def __setstate__(self, p):
13754 if not hasattr(self,
'this'):
13756 if isinstance(p, tuple):
13758 self.__dict__.update(d)
13759 return self._set_from_binary(p)
13763 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13764 class DihedralRestraint(QuadRestraint):
13765 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
13767 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13769 def __init__(self, *args):
13771 __init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint
13772 __init__(DihedralRestraint self) -> DihedralRestraint
13774 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(*args))
13775 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
13778 r"""__str__(DihedralRestraint self) -> std::string"""
13779 return _IMP_core.DihedralRestraint___str__(self)
13781 def __repr__(self):
13782 r"""__repr__(DihedralRestraint self) -> std::string"""
13783 return _IMP_core.DihedralRestraint___repr__(self)
13787 return _object_cast_to_DihedralRestraint(o)
13790 def _get_as_binary(self):
13791 r"""_get_as_binary(DihedralRestraint self) -> PyObject *"""
13792 return _IMP_core.DihedralRestraint__get_as_binary(self)
13794 def _set_from_binary(self, p):
13795 r"""_set_from_binary(DihedralRestraint self, PyObject * p)"""
13796 return _IMP_core.DihedralRestraint__set_from_binary(self, p)
13798 def __getstate__(self):
13799 p = self._get_as_binary()
13800 if len(self.__dict__) > 1:
13801 d = self.__dict__.copy()
13806 def __setstate__(self, p):
13807 if not hasattr(self,
'this'):
13809 if isinstance(p, tuple):
13811 self.__dict__.update(d)
13812 return self._set_from_binary(p)
13816 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
13817 class RigidBodyMover(MonteCarloMover):
13818 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13820 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13822 def __init__(self, *args):
13824 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13825 __init__(RigidBodyMover self) -> RigidBodyMover
13827 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13829 def set_maximum_translation(self, mt):
13830 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13831 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13833 def set_maximum_rotation(self, mr):
13834 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13835 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13837 def get_maximum_translation(self):
13838 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13839 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13841 def get_maximum_rotation(self):
13842 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13843 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13846 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13847 return _IMP_core.RigidBodyMover_get_index(self)
13849 def get_version_info(self):
13850 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13851 return _IMP_core.RigidBodyMover_get_version_info(self)
13852 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13855 r"""__str__(RigidBodyMover self) -> std::string"""
13856 return _IMP_core.RigidBodyMover___str__(self)
13858 def __repr__(self):
13859 r"""__repr__(RigidBodyMover self) -> std::string"""
13860 return _IMP_core.RigidBodyMover___repr__(self)
13864 return _object_cast_to_RigidBodyMover(o)
13867 def _get_as_binary(self):
13868 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13869 return _IMP_core.RigidBodyMover__get_as_binary(self)
13871 def _set_from_binary(self, p):
13872 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13873 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13875 def __getstate__(self):
13876 p = self._get_as_binary()
13877 if len(self.__dict__) > 1:
13878 d = self.__dict__.copy()
13883 def __setstate__(self, p):
13884 if not hasattr(self,
'this'):
13886 if isinstance(p, tuple):
13888 self.__dict__.update(d)
13889 return self._set_from_binary(p)
13892 def _get_jax(self, space):
13894 import IMP.core._jax_rigid
13896 get_random_vector_in_3d_sphere,
13897 get_rotation_about_normalized_axis,
13898 _quaternion_multiply)
13899 max_angle = self.get_maximum_rotation()
13900 max_translation = self.get_maximum_translation()
13901 particle_index = self.get_index()
13902 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13903 self.get_model(), self.get_index())
13905 def init_func(key):
13908 def propose_func(jm, key):
13909 body = jm[
'rigid_bodies'].bodies[body_index]
13910 tf = body.get_transformation(jm)
13912 if max_translation > 0:
13913 key, subkey = jax.random.split(key)
13914 tf.translation = space.shift(
13916 get_random_vector_in_3d_sphere(subkey, max_translation)[0])
13918 key, subkey1, subkey2 = jax.random.split(key, 3)
13919 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13920 angle = jax.random.uniform(
13921 subkey2, minval=-max_angle, maxval=max_angle)
13923 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13924 jm = body.set_transformation_lazy(tf, jm)
13925 return jm, key, 1.0
13927 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13931 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13932 class RigidBodyTunneler(MonteCarloMover):
13933 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13935 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13937 def __init__(self, m, pis, ref, k, move_probability=1.):
13938 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13939 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13941 def add_entry_point(self, fl):
13942 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13943 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13945 def reset_stats(self):
13946 r"""reset_stats(RigidBodyTunneler self)"""
13947 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13949 def get_number_of_rejected_moves(self):
13950 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13951 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13953 def get_number_of_proposed_moves(self):
13954 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13955 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13957 def get_number_of_impossible_moves(self):
13958 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13959 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13961 def get_number_of_calls(self):
13962 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13963 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13966 def get_reduced_coordinates(*args):
13968 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13969 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13971 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13974 def set_reduced_coordinates(m, target, ref, coords):
13975 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13976 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13978 def get_version_info(self):
13979 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13980 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13981 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13984 r"""__str__(RigidBodyTunneler self) -> std::string"""
13985 return _IMP_core.RigidBodyTunneler___str__(self)
13987 def __repr__(self):
13988 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13989 return _IMP_core.RigidBodyTunneler___repr__(self)
13993 return _object_cast_to_RigidBodyTunneler(o)
13997 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13999 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
14001 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14003 def __init__(self, *args):
14005 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
14006 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, double _lambda, IMP::Floats x1, IMP::Floats x2, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
14008 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
14010 def set_x0(self, *args):
14012 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
14013 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
14015 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
14018 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
14019 return _IMP_core.RigidBodyUmbrella_get_x0(self)
14022 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
14023 return _IMP_core.RigidBodyUmbrella_get_x(self)
14025 def set_alpha(self, alpha):
14026 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
14027 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
14029 def set_k(self, k):
14030 r"""set_k(RigidBodyUmbrella self, double k)"""
14031 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
14033 def get_version_info(self):
14034 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
14035 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
14036 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
14039 r"""__str__(RigidBodyUmbrella self) -> std::string"""
14040 return _IMP_core.RigidBodyUmbrella___str__(self)
14042 def __repr__(self):
14043 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
14044 return _IMP_core.RigidBodyUmbrella___repr__(self)
14048 return _object_cast_to_RigidBodyUmbrella(o)
14052 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
14054 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
14056 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14058 def __init__(self, f, sc, volume):
14059 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
14060 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
14062 def do_get_inputs(self):
14063 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
14064 return _IMP_core.VolumeRestraint_do_get_inputs(self)
14066 def get_version_info(self):
14067 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
14068 return _IMP_core.VolumeRestraint_get_version_info(self)
14069 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
14072 r"""__str__(VolumeRestraint self) -> std::string"""
14073 return _IMP_core.VolumeRestraint___str__(self)
14075 def __repr__(self):
14076 r"""__repr__(VolumeRestraint self) -> std::string"""
14077 return _IMP_core.VolumeRestraint___repr__(self)
14081 return _object_cast_to_VolumeRestraint(o)
14085 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
14088 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
14089 return _IMP_core.get_centroid(ps)
14092 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
14093 return _IMP_core.get_bounding_box(ps)
14095 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
14097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14099 def __init__(self, ps):
14100 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
14101 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
14103 def show_statistics(self, *args):
14104 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
14105 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
14108 r"""reset(MoveStatisticsScoreState self)"""
14109 return _IMP_core.MoveStatisticsScoreState_reset(self)
14111 def do_before_evaluate(self):
14112 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
14113 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
14115 def do_after_evaluate(self, da):
14116 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
14117 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
14119 def do_get_inputs(self):
14120 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14121 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
14123 def do_get_outputs(self):
14124 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14125 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
14127 def get_version_info(self):
14128 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
14129 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
14130 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
14133 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
14134 return _IMP_core.MoveStatisticsScoreState___str__(self)
14136 def __repr__(self):
14137 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
14138 return _IMP_core.MoveStatisticsScoreState___repr__(self)
14142 return _object_cast_to_MoveStatisticsScoreState(o)
14146 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
14147 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
14150 r"""Proxy of C++ IMP::core::Typed class."""
14152 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14155 def get_type_key():
14156 r"""get_type_key() -> IntKey"""
14157 return _IMP_core.Typed_get_type_key()
14159 def __init__(self, *args):
14161 __init__(Typed self) -> Typed
14162 __init__(Typed self, Model m, ParticleIndex id) -> Typed
14163 __init__(Typed self, _ParticleAdaptor d) -> Typed
14165 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
14167 def show(self, *args):
14168 r"""show(Typed self, _ostream out=std::cout)"""
14169 return _IMP_core.Typed_show(self, *args)
14172 def setup_particle(*args):
14174 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
14175 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
14177 return _IMP_core.Typed_setup_particle(*args)
14180 def get_is_setup(*args):
14182 get_is_setup(_ParticleAdaptor p) -> bool
14183 get_is_setup(Model m, ParticleIndex pi) -> bool
14185 return _IMP_core.Typed_get_is_setup(*args)
14187 def get_type(self):
14188 r"""get_type(Typed self) -> ParticleType"""
14189 return _IMP_core.Typed_get_type(self)
14191 def set_type(self, pt):
14192 r"""set_type(Typed self, ParticleType pt)"""
14193 return _IMP_core.Typed_set_type(self, pt)
14195 def add_attribute(self, *args):
14197 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
14198 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
14199 add_attribute(Typed self, IntKey a0, IMP::Int a1)
14200 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
14201 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14202 add_attribute(Typed self, StringKey a0, IMP::String a1)
14203 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14204 add_attribute(Typed self, ObjectKey a0, Object a1)
14205 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14206 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14207 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14208 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14210 return _IMP_core.Typed_add_attribute(self, *args)
14212 def get_value(self, *args):
14214 get_value(Typed self, FloatKey a0) -> IMP::Float
14215 get_value(Typed self, IntKey a0) -> IMP::Int
14216 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14217 get_value(Typed self, IntsKey a0) -> IMP::Ints
14218 get_value(Typed self, StringKey a0) -> IMP::String
14219 get_value(Typed self, ParticleIndexKey a0) -> Particle
14220 get_value(Typed self, ObjectKey a0) -> Object
14221 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14222 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14223 get_value(Typed self, SparseStringKey a0) -> IMP::String
14224 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14226 return _IMP_core.Typed_get_value(self, *args)
14228 def set_value(self, *args):
14230 set_value(Typed self, FloatKey a0, IMP::Float a1)
14231 set_value(Typed self, IntKey a0, IMP::Int a1)
14232 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14233 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14234 set_value(Typed self, StringKey a0, IMP::String a1)
14235 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14236 set_value(Typed self, ObjectKey a0, Object a1)
14237 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14238 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14239 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14240 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14242 return _IMP_core.Typed_set_value(self, *args)
14244 def remove_attribute(self, *args):
14246 remove_attribute(Typed self, FloatKey a0)
14247 remove_attribute(Typed self, IntKey a0)
14248 remove_attribute(Typed self, FloatsKey a0)
14249 remove_attribute(Typed self, IntsKey a0)
14250 remove_attribute(Typed self, StringKey a0)
14251 remove_attribute(Typed self, ParticleIndexKey a0)
14252 remove_attribute(Typed self, ObjectKey a0)
14253 remove_attribute(Typed self, SparseFloatKey a0)
14254 remove_attribute(Typed self, SparseIntKey a0)
14255 remove_attribute(Typed self, SparseStringKey a0)
14256 remove_attribute(Typed self, SparseParticleIndexKey a0)
14258 return _IMP_core.Typed_remove_attribute(self, *args)
14260 def has_attribute(self, *args):
14262 has_attribute(Typed self, FloatKey a0) -> bool
14263 has_attribute(Typed self, IntKey a0) -> bool
14264 has_attribute(Typed self, FloatsKey a0) -> bool
14265 has_attribute(Typed self, IntsKey a0) -> bool
14266 has_attribute(Typed self, StringKey a0) -> bool
14267 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14268 has_attribute(Typed self, ObjectKey a0) -> bool
14269 has_attribute(Typed self, SparseFloatKey a0) -> bool
14270 has_attribute(Typed self, SparseIntKey a0) -> bool
14271 has_attribute(Typed self, SparseStringKey a0) -> bool
14272 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14274 return _IMP_core.Typed_has_attribute(self, *args)
14276 def get_derivative(self, a0):
14277 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14278 return _IMP_core.Typed_get_derivative(self, a0)
14280 def get_name(self):
14281 r"""get_name(Typed self) -> std::string"""
14282 return _IMP_core.Typed_get_name(self)
14284 def clear_caches(self):
14285 r"""clear_caches(Typed self)"""
14286 return _IMP_core.Typed_clear_caches(self)
14288 def set_name(self, a0):
14289 r"""set_name(Typed self, std::string a0)"""
14290 return _IMP_core.Typed_set_name(self, a0)
14293 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14294 return _IMP_core.Typed_set_check_level(self, a0)
14296 def add_to_derivative(self, a0, a1, a2):
14297 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14298 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14300 def set_is_optimized(self, a0, a1):
14301 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14302 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14304 def get_is_optimized(self, a0):
14305 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14306 return _IMP_core.Typed_get_is_optimized(self, a0)
14309 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14310 return _IMP_core.Typed_get_check_level(self)
14312 def __eq__(self, *args):
14314 __eq__(Typed self, Typed o) -> bool
14315 __eq__(Typed self, Particle d) -> bool
14317 return _IMP_core.Typed___eq__(self, *args)
14319 def __ne__(self, *args):
14321 __ne__(Typed self, Typed o) -> bool
14322 __ne__(Typed self, Particle d) -> bool
14324 return _IMP_core.Typed___ne__(self, *args)
14326 def __le__(self, *args):
14328 __le__(Typed self, Typed o) -> bool
14329 __le__(Typed self, Particle d) -> bool
14331 return _IMP_core.Typed___le__(self, *args)
14333 def __lt__(self, *args):
14335 __lt__(Typed self, Typed o) -> bool
14336 __lt__(Typed self, Particle d) -> bool
14338 return _IMP_core.Typed___lt__(self, *args)
14340 def __ge__(self, *args):
14342 __ge__(Typed self, Typed o) -> bool
14343 __ge__(Typed self, Particle d) -> bool
14345 return _IMP_core.Typed___ge__(self, *args)
14347 def __gt__(self, *args):
14349 __gt__(Typed self, Typed o) -> bool
14350 __gt__(Typed self, Particle d) -> bool
14352 return _IMP_core.Typed___gt__(self, *args)
14354 def __hash__(self):
14355 r"""__hash__(Typed self) -> std::size_t"""
14356 return _IMP_core.Typed___hash__(self)
14359 r"""__str__(Typed self) -> std::string"""
14360 return _IMP_core.Typed___str__(self)
14362 def __repr__(self):
14363 r"""__repr__(Typed self) -> std::string"""
14364 return _IMP_core.Typed___repr__(self)
14366 def _get_as_binary(self):
14367 r"""_get_as_binary(Typed self) -> PyObject *"""
14368 return _IMP_core.Typed__get_as_binary(self)
14370 def _set_from_binary(self, p):
14371 r"""_set_from_binary(Typed self, PyObject * p)"""
14372 return _IMP_core.Typed__set_from_binary(self, p)
14374 def __getstate__(self):
14375 p = self._get_as_binary()
14376 if len(self.__dict__) > 1:
14377 d = self.__dict__.copy()
14382 def __setstate__(self, p):
14383 if not hasattr(self,
'this'):
14385 if isinstance(p, tuple):
14387 self.__dict__.update(d)
14388 return self._set_from_binary(p)
14390 __swig_destroy__ = _IMP_core.delete_Typed
14393 _IMP_core.Typed_swigregister(Typed)
14395 def __lshift__(*args):
14397 __lshift__(_ostream out, XYZ n) -> _ostream
14398 __lshift__(_ostream out, XYZR n) -> _ostream
14399 __lshift__(_ostream out, Direction n) -> _ostream
14400 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14401 __lshift__(_ostream out, Surface n) -> _ostream
14402 __lshift__(_ostream out, Centroid n) -> _ostream
14403 __lshift__(_ostream out, Cover n) -> _ostream
14404 __lshift__(_ostream out, Reference n) -> _ostream
14405 __lshift__(_ostream out, RigidMember n) -> _ostream
14406 __lshift__(_ostream out, RigidBody n) -> _ostream
14407 __lshift__(_ostream out, Gaussian n) -> _ostream
14408 __lshift__(_ostream out, Typed n) -> _ostream
14410 return _IMP_core.__lshift__(*args)
14412 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14416 def __init__(self, rs, out):
14417 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14418 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14420 def get_version_info(self):
14421 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14422 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14423 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14426 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14427 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14429 def __repr__(self):
14430 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14431 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14435 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14439 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14442 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14443 return _IMP_core.assign_blame(rs, ps, attribute)
14446 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14447 return _IMP_core.create_blame_geometries(*args)
14449 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14453 def __init__(self, m, q1, q2):
14454 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14455 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14457 def add_term(self, term):
14458 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14459 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14461 def do_get_inputs(self):
14462 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14463 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14465 def get_version_info(self):
14466 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14467 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14468 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14471 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14472 return _IMP_core.MultipleBinormalRestraint___str__(self)
14474 def __repr__(self):
14475 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14476 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14480 return _object_cast_to_MultipleBinormalRestraint(o)
14484 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14485 class BinormalTerm(object):
14486 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14490 def __init__(self):
14491 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14492 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14494 def set_correlation(self, correlation):
14495 r"""set_correlation(BinormalTerm self, double correlation)"""
14496 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14498 def set_weight(self, weight):
14499 r"""set_weight(BinormalTerm self, double weight)"""
14500 return _IMP_core.BinormalTerm_set_weight(self, weight)
14502 def set_means(self, means):
14503 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14504 return _IMP_core.BinormalTerm_set_means(self, means)
14506 def set_standard_deviations(self, stdevs):
14507 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14508 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14510 def show(self, *args):
14511 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14512 return _IMP_core.BinormalTerm_show(self, *args)
14515 r"""__str__(BinormalTerm self) -> std::string"""
14516 return _IMP_core.BinormalTerm___str__(self)
14518 def __repr__(self):
14519 r"""__repr__(BinormalTerm self) -> std::string"""
14520 return _IMP_core.BinormalTerm___repr__(self)
14522 def _get_as_binary(self):
14523 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14524 return _IMP_core.BinormalTerm__get_as_binary(self)
14526 def _set_from_binary(self, p):
14527 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14528 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14530 def __getstate__(self):
14531 p = self._get_as_binary()
14532 if len(self.__dict__) > 1:
14533 d = self.__dict__.copy()
14538 def __setstate__(self, p):
14539 if not hasattr(self,
'this'):
14541 if isinstance(p, tuple):
14543 self.__dict__.update(d)
14544 return self._set_from_binary(p)
14546 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14549 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14551 r"""Proxy of C++ IMP::core::Provenance class."""
14553 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14555 def get_previous(self):
14556 r"""get_previous(Provenance self) -> Provenance"""
14557 return _IMP_core.Provenance_get_previous(self)
14559 def set_previous(self, p):
14560 r"""set_previous(Provenance self, Provenance p)"""
14561 return _IMP_core.Provenance_set_previous(self, p)
14563 def __init__(self, *args):
14565 __init__(Provenance self) -> Provenance
14566 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14567 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14569 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14572 def get_is_setup(*args):
14574 get_is_setup(Model m, ParticleIndex pi) -> bool
14575 get_is_setup(_ParticleAdaptor p) -> bool
14577 return _IMP_core.Provenance_get_is_setup(*args)
14579 def show(self, *args):
14580 r"""show(Provenance self, _ostream out=std::cout)"""
14581 return _IMP_core.Provenance_show(self, *args)
14584 def setup_particle(*args):
14586 setup_particle(Model m, ParticleIndex pi) -> Provenance
14587 setup_particle(_ParticleAdaptor pa) -> Provenance
14589 return _IMP_core.Provenance_setup_particle(*args)
14591 def add_attribute(self, *args):
14593 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14594 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14595 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14596 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14597 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14598 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14599 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14600 add_attribute(Provenance self, ObjectKey a0, Object a1)
14601 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14602 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14603 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14604 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14606 return _IMP_core.Provenance_add_attribute(self, *args)
14608 def get_value(self, *args):
14610 get_value(Provenance self, FloatKey a0) -> IMP::Float
14611 get_value(Provenance self, IntKey a0) -> IMP::Int
14612 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14613 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14614 get_value(Provenance self, StringKey a0) -> IMP::String
14615 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14616 get_value(Provenance self, ObjectKey a0) -> Object
14617 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14618 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14619 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14620 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14622 return _IMP_core.Provenance_get_value(self, *args)
14624 def set_value(self, *args):
14626 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14627 set_value(Provenance self, IntKey a0, IMP::Int a1)
14628 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14629 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14630 set_value(Provenance self, StringKey a0, IMP::String a1)
14631 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14632 set_value(Provenance self, ObjectKey a0, Object a1)
14633 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14634 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14635 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14636 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14638 return _IMP_core.Provenance_set_value(self, *args)
14640 def remove_attribute(self, *args):
14642 remove_attribute(Provenance self, FloatKey a0)
14643 remove_attribute(Provenance self, IntKey a0)
14644 remove_attribute(Provenance self, FloatsKey a0)
14645 remove_attribute(Provenance self, IntsKey a0)
14646 remove_attribute(Provenance self, StringKey a0)
14647 remove_attribute(Provenance self, ParticleIndexKey a0)
14648 remove_attribute(Provenance self, ObjectKey a0)
14649 remove_attribute(Provenance self, SparseFloatKey a0)
14650 remove_attribute(Provenance self, SparseIntKey a0)
14651 remove_attribute(Provenance self, SparseStringKey a0)
14652 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14654 return _IMP_core.Provenance_remove_attribute(self, *args)
14656 def has_attribute(self, *args):
14658 has_attribute(Provenance self, FloatKey a0) -> bool
14659 has_attribute(Provenance self, IntKey a0) -> bool
14660 has_attribute(Provenance self, FloatsKey a0) -> bool
14661 has_attribute(Provenance self, IntsKey a0) -> bool
14662 has_attribute(Provenance self, StringKey a0) -> bool
14663 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14664 has_attribute(Provenance self, ObjectKey a0) -> bool
14665 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14666 has_attribute(Provenance self, SparseIntKey a0) -> bool
14667 has_attribute(Provenance self, SparseStringKey a0) -> bool
14668 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14670 return _IMP_core.Provenance_has_attribute(self, *args)
14672 def get_derivative(self, a0):
14673 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14674 return _IMP_core.Provenance_get_derivative(self, a0)
14676 def get_name(self):
14677 r"""get_name(Provenance self) -> std::string"""
14678 return _IMP_core.Provenance_get_name(self)
14680 def clear_caches(self):
14681 r"""clear_caches(Provenance self)"""
14682 return _IMP_core.Provenance_clear_caches(self)
14684 def set_name(self, a0):
14685 r"""set_name(Provenance self, std::string a0)"""
14686 return _IMP_core.Provenance_set_name(self, a0)
14689 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14690 return _IMP_core.Provenance_set_check_level(self, a0)
14692 def add_to_derivative(self, a0, a1, a2):
14693 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14694 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14696 def set_is_optimized(self, a0, a1):
14697 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14698 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14700 def get_is_optimized(self, a0):
14701 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14702 return _IMP_core.Provenance_get_is_optimized(self, a0)
14705 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14706 return _IMP_core.Provenance_get_check_level(self)
14708 def __eq__(self, *args):
14710 __eq__(Provenance self, Provenance o) -> bool
14711 __eq__(Provenance self, Particle d) -> bool
14713 return _IMP_core.Provenance___eq__(self, *args)
14715 def __ne__(self, *args):
14717 __ne__(Provenance self, Provenance o) -> bool
14718 __ne__(Provenance self, Particle d) -> bool
14720 return _IMP_core.Provenance___ne__(self, *args)
14722 def __le__(self, *args):
14724 __le__(Provenance self, Provenance o) -> bool
14725 __le__(Provenance self, Particle d) -> bool
14727 return _IMP_core.Provenance___le__(self, *args)
14729 def __lt__(self, *args):
14731 __lt__(Provenance self, Provenance o) -> bool
14732 __lt__(Provenance self, Particle d) -> bool
14734 return _IMP_core.Provenance___lt__(self, *args)
14736 def __ge__(self, *args):
14738 __ge__(Provenance self, Provenance o) -> bool
14739 __ge__(Provenance self, Particle d) -> bool
14741 return _IMP_core.Provenance___ge__(self, *args)
14743 def __gt__(self, *args):
14745 __gt__(Provenance self, Provenance o) -> bool
14746 __gt__(Provenance self, Particle d) -> bool
14748 return _IMP_core.Provenance___gt__(self, *args)
14750 def __hash__(self):
14751 r"""__hash__(Provenance self) -> std::size_t"""
14752 return _IMP_core.Provenance___hash__(self)
14755 r"""__str__(Provenance self) -> std::string"""
14756 return _IMP_core.Provenance___str__(self)
14758 def __repr__(self):
14759 r"""__repr__(Provenance self) -> std::string"""
14760 return _IMP_core.Provenance___repr__(self)
14762 def _get_as_binary(self):
14763 r"""_get_as_binary(Provenance self) -> PyObject *"""
14764 return _IMP_core.Provenance__get_as_binary(self)
14766 def _set_from_binary(self, p):
14767 r"""_set_from_binary(Provenance self, PyObject * p)"""
14768 return _IMP_core.Provenance__set_from_binary(self, p)
14770 def __getstate__(self):
14771 p = self._get_as_binary()
14772 if len(self.__dict__) > 1:
14773 d = self.__dict__.copy()
14778 def __setstate__(self, p):
14779 if not hasattr(self,
'this'):
14781 if isinstance(p, tuple):
14783 self.__dict__.update(d)
14784 return self._set_from_binary(p)
14786 __swig_destroy__ = _IMP_core.delete_Provenance
14789 _IMP_core.Provenance_swigregister(Provenance)
14790 class StructureProvenance(Provenance):
14791 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14793 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14795 def set_filename(self, filename):
14796 r"""set_filename(StructureProvenance self, std::string filename)"""
14797 return _IMP_core.StructureProvenance_set_filename(self, filename)
14799 def get_filename(self):
14800 r"""get_filename(StructureProvenance self) -> std::string"""
14801 return _IMP_core.StructureProvenance_get_filename(self)
14803 def set_chain_id(self, chain_id):
14804 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14805 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14808 r"""get_chain_id(StructureProvenance self) -> std::string"""
14809 return _IMP_core.StructureProvenance_get_chain_id(self)
14811 def set_residue_offset(self, residue_offset):
14812 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14813 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14815 def get_residue_offset(self):
14816 r"""get_residue_offset(StructureProvenance self) -> int"""
14817 return _IMP_core.StructureProvenance_get_residue_offset(self)
14819 def __init__(self, *args):
14821 __init__(StructureProvenance self) -> StructureProvenance
14822 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14823 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14825 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14828 def get_is_setup(*args):
14830 get_is_setup(Model m, ParticleIndex pi) -> bool
14831 get_is_setup(_ParticleAdaptor p) -> bool
14833 return _IMP_core.StructureProvenance_get_is_setup(*args)
14835 def show(self, *args):
14836 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14837 return _IMP_core.StructureProvenance_show(self, *args)
14840 def setup_particle(*args):
14842 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14843 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14844 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14845 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14846 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14847 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14849 return _IMP_core.StructureProvenance_setup_particle(*args)
14851 def add_attribute(self, *args):
14853 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14854 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14855 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14856 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14857 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14858 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14859 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14860 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14861 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14862 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14863 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14864 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14866 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14868 def get_value(self, *args):
14870 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14871 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14872 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14873 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14874 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14875 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14876 get_value(StructureProvenance self, ObjectKey a0) -> Object
14877 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14878 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14879 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14880 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14882 return _IMP_core.StructureProvenance_get_value(self, *args)
14884 def set_value(self, *args):
14886 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14887 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14888 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14889 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14890 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14891 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14892 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14893 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14894 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14895 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14896 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14898 return _IMP_core.StructureProvenance_set_value(self, *args)
14900 def remove_attribute(self, *args):
14902 remove_attribute(StructureProvenance self, FloatKey a0)
14903 remove_attribute(StructureProvenance self, IntKey a0)
14904 remove_attribute(StructureProvenance self, FloatsKey a0)
14905 remove_attribute(StructureProvenance self, IntsKey a0)
14906 remove_attribute(StructureProvenance self, StringKey a0)
14907 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14908 remove_attribute(StructureProvenance self, ObjectKey a0)
14909 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14910 remove_attribute(StructureProvenance self, SparseIntKey a0)
14911 remove_attribute(StructureProvenance self, SparseStringKey a0)
14912 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14914 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14916 def has_attribute(self, *args):
14918 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14919 has_attribute(StructureProvenance self, IntKey a0) -> bool
14920 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14921 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14922 has_attribute(StructureProvenance self, StringKey a0) -> bool
14923 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14924 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14925 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14926 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14927 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14928 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14930 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14932 def get_derivative(self, a0):
14933 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14934 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14936 def get_name(self):
14937 r"""get_name(StructureProvenance self) -> std::string"""
14938 return _IMP_core.StructureProvenance_get_name(self)
14940 def clear_caches(self):
14941 r"""clear_caches(StructureProvenance self)"""
14942 return _IMP_core.StructureProvenance_clear_caches(self)
14944 def set_name(self, a0):
14945 r"""set_name(StructureProvenance self, std::string a0)"""
14946 return _IMP_core.StructureProvenance_set_name(self, a0)
14949 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14950 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14952 def add_to_derivative(self, a0, a1, a2):
14953 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14954 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14956 def set_is_optimized(self, a0, a1):
14957 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14958 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14960 def get_is_optimized(self, a0):
14961 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14962 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14965 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14966 return _IMP_core.StructureProvenance_get_check_level(self)
14968 def __eq__(self, *args):
14970 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14971 __eq__(StructureProvenance self, Particle d) -> bool
14973 return _IMP_core.StructureProvenance___eq__(self, *args)
14975 def __ne__(self, *args):
14977 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14978 __ne__(StructureProvenance self, Particle d) -> bool
14980 return _IMP_core.StructureProvenance___ne__(self, *args)
14982 def __le__(self, *args):
14984 __le__(StructureProvenance self, StructureProvenance o) -> bool
14985 __le__(StructureProvenance self, Particle d) -> bool
14987 return _IMP_core.StructureProvenance___le__(self, *args)
14989 def __lt__(self, *args):
14991 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14992 __lt__(StructureProvenance self, Particle d) -> bool
14994 return _IMP_core.StructureProvenance___lt__(self, *args)
14996 def __ge__(self, *args):
14998 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14999 __ge__(StructureProvenance self, Particle d) -> bool
15001 return _IMP_core.StructureProvenance___ge__(self, *args)
15003 def __gt__(self, *args):
15005 __gt__(StructureProvenance self, StructureProvenance o) -> bool
15006 __gt__(StructureProvenance self, Particle d) -> bool
15008 return _IMP_core.StructureProvenance___gt__(self, *args)
15010 def __hash__(self):
15011 r"""__hash__(StructureProvenance self) -> std::size_t"""
15012 return _IMP_core.StructureProvenance___hash__(self)
15015 r"""__str__(StructureProvenance self) -> std::string"""
15016 return _IMP_core.StructureProvenance___str__(self)
15018 def __repr__(self):
15019 r"""__repr__(StructureProvenance self) -> std::string"""
15020 return _IMP_core.StructureProvenance___repr__(self)
15022 def _get_as_binary(self):
15023 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
15024 return _IMP_core.StructureProvenance__get_as_binary(self)
15026 def _set_from_binary(self, p):
15027 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
15028 return _IMP_core.StructureProvenance__set_from_binary(self, p)
15030 def __getstate__(self):
15031 p = self._get_as_binary()
15032 if len(self.__dict__) > 1:
15033 d = self.__dict__.copy()
15038 def __setstate__(self, p):
15039 if not hasattr(self,
'this'):
15041 if isinstance(p, tuple):
15043 self.__dict__.update(d)
15044 return self._set_from_binary(p)
15046 __swig_destroy__ = _IMP_core.delete_StructureProvenance
15049 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
15050 class SampleProvenance(Provenance):
15051 r"""Proxy of C++ IMP::core::SampleProvenance class."""
15053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15055 def set_method(self, method):
15056 r"""set_method(SampleProvenance self, std::string method)"""
15057 return _IMP_core.SampleProvenance_set_method(self, method)
15059 def get_method(self):
15060 r"""get_method(SampleProvenance self) -> std::string"""
15061 return _IMP_core.SampleProvenance_get_method(self)
15063 def set_number_of_frames(self, frames):
15064 r"""set_number_of_frames(SampleProvenance self, int frames)"""
15065 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
15068 r"""get_number_of_frames(SampleProvenance self) -> int"""
15069 return _IMP_core.SampleProvenance_get_number_of_frames(self)
15071 def set_number_of_iterations(self, iterations):
15072 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
15073 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
15075 def get_number_of_iterations(self):
15076 r"""get_number_of_iterations(SampleProvenance self) -> int"""
15077 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
15079 def set_number_of_replicas(self, replicas):
15080 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
15081 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
15083 def get_number_of_replicas(self):
15084 r"""get_number_of_replicas(SampleProvenance self) -> int"""
15085 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
15087 def __init__(self, *args):
15089 __init__(SampleProvenance self) -> SampleProvenance
15090 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
15091 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
15093 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
15096 def get_is_setup(*args):
15098 get_is_setup(Model m, ParticleIndex pi) -> bool
15099 get_is_setup(_ParticleAdaptor p) -> bool
15101 return _IMP_core.SampleProvenance_get_is_setup(*args)
15103 def show(self, *args):
15104 r"""show(SampleProvenance self, _ostream out=std::cout)"""
15105 return _IMP_core.SampleProvenance_show(self, *args)
15108 def setup_particle(*args):
15110 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15111 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15112 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
15113 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
15114 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
15115 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
15117 return _IMP_core.SampleProvenance_setup_particle(*args)
15119 def add_attribute(self, *args):
15121 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
15122 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
15123 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
15124 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15125 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15126 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
15127 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15128 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
15129 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15130 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15131 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15132 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15134 return _IMP_core.SampleProvenance_add_attribute(self, *args)
15136 def get_value(self, *args):
15138 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
15139 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
15140 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
15141 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
15142 get_value(SampleProvenance self, StringKey a0) -> IMP::String
15143 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
15144 get_value(SampleProvenance self, ObjectKey a0) -> Object
15145 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
15146 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
15147 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
15148 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15150 return _IMP_core.SampleProvenance_get_value(self, *args)
15152 def set_value(self, *args):
15154 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
15155 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
15156 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15157 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15158 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
15159 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15160 set_value(SampleProvenance self, ObjectKey a0, Object a1)
15161 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15162 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15163 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15164 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15166 return _IMP_core.SampleProvenance_set_value(self, *args)
15168 def remove_attribute(self, *args):
15170 remove_attribute(SampleProvenance self, FloatKey a0)
15171 remove_attribute(SampleProvenance self, IntKey a0)
15172 remove_attribute(SampleProvenance self, FloatsKey a0)
15173 remove_attribute(SampleProvenance self, IntsKey a0)
15174 remove_attribute(SampleProvenance self, StringKey a0)
15175 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
15176 remove_attribute(SampleProvenance self, ObjectKey a0)
15177 remove_attribute(SampleProvenance self, SparseFloatKey a0)
15178 remove_attribute(SampleProvenance self, SparseIntKey a0)
15179 remove_attribute(SampleProvenance self, SparseStringKey a0)
15180 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
15182 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
15184 def has_attribute(self, *args):
15186 has_attribute(SampleProvenance self, FloatKey a0) -> bool
15187 has_attribute(SampleProvenance self, IntKey a0) -> bool
15188 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
15189 has_attribute(SampleProvenance self, IntsKey a0) -> bool
15190 has_attribute(SampleProvenance self, StringKey a0) -> bool
15191 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
15192 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
15193 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
15194 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
15195 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
15196 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
15198 return _IMP_core.SampleProvenance_has_attribute(self, *args)
15200 def get_derivative(self, a0):
15201 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15202 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15204 def get_name(self):
15205 r"""get_name(SampleProvenance self) -> std::string"""
15206 return _IMP_core.SampleProvenance_get_name(self)
15208 def clear_caches(self):
15209 r"""clear_caches(SampleProvenance self)"""
15210 return _IMP_core.SampleProvenance_clear_caches(self)
15212 def set_name(self, a0):
15213 r"""set_name(SampleProvenance self, std::string a0)"""
15214 return _IMP_core.SampleProvenance_set_name(self, a0)
15217 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15218 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15220 def add_to_derivative(self, a0, a1, a2):
15221 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15222 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15224 def set_is_optimized(self, a0, a1):
15225 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15226 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15228 def get_is_optimized(self, a0):
15229 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15230 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15233 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15234 return _IMP_core.SampleProvenance_get_check_level(self)
15236 def __eq__(self, *args):
15238 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15239 __eq__(SampleProvenance self, Particle d) -> bool
15241 return _IMP_core.SampleProvenance___eq__(self, *args)
15243 def __ne__(self, *args):
15245 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15246 __ne__(SampleProvenance self, Particle d) -> bool
15248 return _IMP_core.SampleProvenance___ne__(self, *args)
15250 def __le__(self, *args):
15252 __le__(SampleProvenance self, SampleProvenance o) -> bool
15253 __le__(SampleProvenance self, Particle d) -> bool
15255 return _IMP_core.SampleProvenance___le__(self, *args)
15257 def __lt__(self, *args):
15259 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15260 __lt__(SampleProvenance self, Particle d) -> bool
15262 return _IMP_core.SampleProvenance___lt__(self, *args)
15264 def __ge__(self, *args):
15266 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15267 __ge__(SampleProvenance self, Particle d) -> bool
15269 return _IMP_core.SampleProvenance___ge__(self, *args)
15271 def __gt__(self, *args):
15273 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15274 __gt__(SampleProvenance self, Particle d) -> bool
15276 return _IMP_core.SampleProvenance___gt__(self, *args)
15278 def __hash__(self):
15279 r"""__hash__(SampleProvenance self) -> std::size_t"""
15280 return _IMP_core.SampleProvenance___hash__(self)
15283 r"""__str__(SampleProvenance self) -> std::string"""
15284 return _IMP_core.SampleProvenance___str__(self)
15286 def __repr__(self):
15287 r"""__repr__(SampleProvenance self) -> std::string"""
15288 return _IMP_core.SampleProvenance___repr__(self)
15290 def _get_as_binary(self):
15291 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15292 return _IMP_core.SampleProvenance__get_as_binary(self)
15294 def _set_from_binary(self, p):
15295 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15296 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15298 def __getstate__(self):
15299 p = self._get_as_binary()
15300 if len(self.__dict__) > 1:
15301 d = self.__dict__.copy()
15306 def __setstate__(self, p):
15307 if not hasattr(self,
'this'):
15309 if isinstance(p, tuple):
15311 self.__dict__.update(d)
15312 return self._set_from_binary(p)
15314 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15317 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15318 class CombineProvenance(Provenance):
15319 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15321 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15323 def set_number_of_frames(self, frames):
15324 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15325 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15328 r"""get_number_of_frames(CombineProvenance self) -> int"""
15329 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15331 def set_number_of_runs(self, runs):
15332 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15333 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15335 def get_number_of_runs(self):
15336 r"""get_number_of_runs(CombineProvenance self) -> int"""
15337 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15339 def __init__(self, *args):
15341 __init__(CombineProvenance self) -> CombineProvenance
15342 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15343 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15345 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15348 def get_is_setup(*args):
15350 get_is_setup(Model m, ParticleIndex pi) -> bool
15351 get_is_setup(_ParticleAdaptor p) -> bool
15353 return _IMP_core.CombineProvenance_get_is_setup(*args)
15355 def show(self, *args):
15356 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15357 return _IMP_core.CombineProvenance_show(self, *args)
15360 def setup_particle(*args):
15362 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15363 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15364 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15365 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15367 return _IMP_core.CombineProvenance_setup_particle(*args)
15369 def add_attribute(self, *args):
15371 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15372 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15373 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15374 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15375 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15376 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15377 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15378 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15379 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15380 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15381 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15382 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15384 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15386 def get_value(self, *args):
15388 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15389 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15390 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15391 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15392 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15393 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15394 get_value(CombineProvenance self, ObjectKey a0) -> Object
15395 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15396 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15397 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15398 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15400 return _IMP_core.CombineProvenance_get_value(self, *args)
15402 def set_value(self, *args):
15404 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15405 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15406 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15407 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15408 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15409 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15410 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15411 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15412 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15413 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15414 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15416 return _IMP_core.CombineProvenance_set_value(self, *args)
15418 def remove_attribute(self, *args):
15420 remove_attribute(CombineProvenance self, FloatKey a0)
15421 remove_attribute(CombineProvenance self, IntKey a0)
15422 remove_attribute(CombineProvenance self, FloatsKey a0)
15423 remove_attribute(CombineProvenance self, IntsKey a0)
15424 remove_attribute(CombineProvenance self, StringKey a0)
15425 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15426 remove_attribute(CombineProvenance self, ObjectKey a0)
15427 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15428 remove_attribute(CombineProvenance self, SparseIntKey a0)
15429 remove_attribute(CombineProvenance self, SparseStringKey a0)
15430 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15432 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15434 def has_attribute(self, *args):
15436 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15437 has_attribute(CombineProvenance self, IntKey a0) -> bool
15438 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15439 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15440 has_attribute(CombineProvenance self, StringKey a0) -> bool
15441 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15442 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15443 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15444 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15445 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15446 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15448 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15450 def get_derivative(self, a0):
15451 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15452 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15454 def get_name(self):
15455 r"""get_name(CombineProvenance self) -> std::string"""
15456 return _IMP_core.CombineProvenance_get_name(self)
15458 def clear_caches(self):
15459 r"""clear_caches(CombineProvenance self)"""
15460 return _IMP_core.CombineProvenance_clear_caches(self)
15462 def set_name(self, a0):
15463 r"""set_name(CombineProvenance self, std::string a0)"""
15464 return _IMP_core.CombineProvenance_set_name(self, a0)
15467 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15468 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15470 def add_to_derivative(self, a0, a1, a2):
15471 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15472 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15474 def set_is_optimized(self, a0, a1):
15475 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15476 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15478 def get_is_optimized(self, a0):
15479 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15480 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15483 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15484 return _IMP_core.CombineProvenance_get_check_level(self)
15486 def __eq__(self, *args):
15488 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15489 __eq__(CombineProvenance self, Particle d) -> bool
15491 return _IMP_core.CombineProvenance___eq__(self, *args)
15493 def __ne__(self, *args):
15495 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15496 __ne__(CombineProvenance self, Particle d) -> bool
15498 return _IMP_core.CombineProvenance___ne__(self, *args)
15500 def __le__(self, *args):
15502 __le__(CombineProvenance self, CombineProvenance o) -> bool
15503 __le__(CombineProvenance self, Particle d) -> bool
15505 return _IMP_core.CombineProvenance___le__(self, *args)
15507 def __lt__(self, *args):
15509 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15510 __lt__(CombineProvenance self, Particle d) -> bool
15512 return _IMP_core.CombineProvenance___lt__(self, *args)
15514 def __ge__(self, *args):
15516 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15517 __ge__(CombineProvenance self, Particle d) -> bool
15519 return _IMP_core.CombineProvenance___ge__(self, *args)
15521 def __gt__(self, *args):
15523 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15524 __gt__(CombineProvenance self, Particle d) -> bool
15526 return _IMP_core.CombineProvenance___gt__(self, *args)
15528 def __hash__(self):
15529 r"""__hash__(CombineProvenance self) -> std::size_t"""
15530 return _IMP_core.CombineProvenance___hash__(self)
15533 r"""__str__(CombineProvenance self) -> std::string"""
15534 return _IMP_core.CombineProvenance___str__(self)
15536 def __repr__(self):
15537 r"""__repr__(CombineProvenance self) -> std::string"""
15538 return _IMP_core.CombineProvenance___repr__(self)
15540 def _get_as_binary(self):
15541 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15542 return _IMP_core.CombineProvenance__get_as_binary(self)
15544 def _set_from_binary(self, p):
15545 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15546 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15548 def __getstate__(self):
15549 p = self._get_as_binary()
15550 if len(self.__dict__) > 1:
15551 d = self.__dict__.copy()
15556 def __setstate__(self, p):
15557 if not hasattr(self,
'this'):
15559 if isinstance(p, tuple):
15561 self.__dict__.update(d)
15562 return self._set_from_binary(p)
15564 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15567 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15568 class FilterProvenance(Provenance):
15569 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15571 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15573 def set_method(self, method):
15574 r"""set_method(FilterProvenance self, std::string method)"""
15575 return _IMP_core.FilterProvenance_set_method(self, method)
15577 def get_method(self):
15578 r"""get_method(FilterProvenance self) -> std::string"""
15579 return _IMP_core.FilterProvenance_get_method(self)
15581 def set_number_of_frames(self, frames):
15582 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15583 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15586 r"""get_number_of_frames(FilterProvenance self) -> int"""
15587 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15589 def set_threshold(self, threshold):
15590 r"""set_threshold(FilterProvenance self, double threshold)"""
15591 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15593 def get_threshold(self):
15594 r"""get_threshold(FilterProvenance self) -> double"""
15595 return _IMP_core.FilterProvenance_get_threshold(self)
15597 def __init__(self, *args):
15599 __init__(FilterProvenance self) -> FilterProvenance
15600 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15601 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15603 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15606 def get_is_setup(*args):
15608 get_is_setup(Model m, ParticleIndex pi) -> bool
15609 get_is_setup(_ParticleAdaptor p) -> bool
15611 return _IMP_core.FilterProvenance_get_is_setup(*args)
15613 def show(self, *args):
15614 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15615 return _IMP_core.FilterProvenance_show(self, *args)
15618 def setup_particle(*args):
15620 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15621 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15622 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15623 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15625 return _IMP_core.FilterProvenance_setup_particle(*args)
15627 def add_attribute(self, *args):
15629 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15630 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15631 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15632 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15633 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15634 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15635 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15636 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15637 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15638 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15639 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15640 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15642 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15644 def get_value(self, *args):
15646 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15647 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15648 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15649 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15650 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15651 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15652 get_value(FilterProvenance self, ObjectKey a0) -> Object
15653 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15654 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15655 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15656 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15658 return _IMP_core.FilterProvenance_get_value(self, *args)
15660 def set_value(self, *args):
15662 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15663 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15664 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15665 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15666 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15667 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15668 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15669 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15670 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15671 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15672 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15674 return _IMP_core.FilterProvenance_set_value(self, *args)
15676 def remove_attribute(self, *args):
15678 remove_attribute(FilterProvenance self, FloatKey a0)
15679 remove_attribute(FilterProvenance self, IntKey a0)
15680 remove_attribute(FilterProvenance self, FloatsKey a0)
15681 remove_attribute(FilterProvenance self, IntsKey a0)
15682 remove_attribute(FilterProvenance self, StringKey a0)
15683 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15684 remove_attribute(FilterProvenance self, ObjectKey a0)
15685 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15686 remove_attribute(FilterProvenance self, SparseIntKey a0)
15687 remove_attribute(FilterProvenance self, SparseStringKey a0)
15688 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15690 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15692 def has_attribute(self, *args):
15694 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15695 has_attribute(FilterProvenance self, IntKey a0) -> bool
15696 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15697 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15698 has_attribute(FilterProvenance self, StringKey a0) -> bool
15699 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15700 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15701 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15702 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15703 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15704 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15706 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15708 def get_derivative(self, a0):
15709 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15710 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15712 def get_name(self):
15713 r"""get_name(FilterProvenance self) -> std::string"""
15714 return _IMP_core.FilterProvenance_get_name(self)
15716 def clear_caches(self):
15717 r"""clear_caches(FilterProvenance self)"""
15718 return _IMP_core.FilterProvenance_clear_caches(self)
15720 def set_name(self, a0):
15721 r"""set_name(FilterProvenance self, std::string a0)"""
15722 return _IMP_core.FilterProvenance_set_name(self, a0)
15725 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15726 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15728 def add_to_derivative(self, a0, a1, a2):
15729 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15730 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15732 def set_is_optimized(self, a0, a1):
15733 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15734 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15736 def get_is_optimized(self, a0):
15737 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15738 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15741 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15742 return _IMP_core.FilterProvenance_get_check_level(self)
15744 def __eq__(self, *args):
15746 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15747 __eq__(FilterProvenance self, Particle d) -> bool
15749 return _IMP_core.FilterProvenance___eq__(self, *args)
15751 def __ne__(self, *args):
15753 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15754 __ne__(FilterProvenance self, Particle d) -> bool
15756 return _IMP_core.FilterProvenance___ne__(self, *args)
15758 def __le__(self, *args):
15760 __le__(FilterProvenance self, FilterProvenance o) -> bool
15761 __le__(FilterProvenance self, Particle d) -> bool
15763 return _IMP_core.FilterProvenance___le__(self, *args)
15765 def __lt__(self, *args):
15767 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15768 __lt__(FilterProvenance self, Particle d) -> bool
15770 return _IMP_core.FilterProvenance___lt__(self, *args)
15772 def __ge__(self, *args):
15774 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15775 __ge__(FilterProvenance self, Particle d) -> bool
15777 return _IMP_core.FilterProvenance___ge__(self, *args)
15779 def __gt__(self, *args):
15781 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15782 __gt__(FilterProvenance self, Particle d) -> bool
15784 return _IMP_core.FilterProvenance___gt__(self, *args)
15786 def __hash__(self):
15787 r"""__hash__(FilterProvenance self) -> std::size_t"""
15788 return _IMP_core.FilterProvenance___hash__(self)
15791 r"""__str__(FilterProvenance self) -> std::string"""
15792 return _IMP_core.FilterProvenance___str__(self)
15794 def __repr__(self):
15795 r"""__repr__(FilterProvenance self) -> std::string"""
15796 return _IMP_core.FilterProvenance___repr__(self)
15798 def _get_as_binary(self):
15799 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15800 return _IMP_core.FilterProvenance__get_as_binary(self)
15802 def _set_from_binary(self, p):
15803 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15804 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15806 def __getstate__(self):
15807 p = self._get_as_binary()
15808 if len(self.__dict__) > 1:
15809 d = self.__dict__.copy()
15814 def __setstate__(self, p):
15815 if not hasattr(self,
'this'):
15817 if isinstance(p, tuple):
15819 self.__dict__.update(d)
15820 return self._set_from_binary(p)
15822 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15825 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15826 class ClusterProvenance(Provenance):
15827 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15831 def set_number_of_members(self, members):
15832 r"""set_number_of_members(ClusterProvenance self, int members)"""
15833 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15835 def get_number_of_members(self):
15836 r"""get_number_of_members(ClusterProvenance self) -> int"""
15837 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15839 def set_precision(self, precision):
15840 r"""set_precision(ClusterProvenance self, double precision)"""
15841 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15843 def get_precision(self):
15844 r"""get_precision(ClusterProvenance self) -> double"""
15845 return _IMP_core.ClusterProvenance_get_precision(self)
15847 def set_density(self, density):
15848 r"""set_density(ClusterProvenance self, std::string density)"""
15849 return _IMP_core.ClusterProvenance_set_density(self, density)
15851 def get_density(self):
15852 r"""get_density(ClusterProvenance self) -> std::string"""
15853 return _IMP_core.ClusterProvenance_get_density(self)
15855 def __init__(self, *args):
15857 __init__(ClusterProvenance self) -> ClusterProvenance
15858 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15859 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15861 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15864 def get_is_setup(*args):
15866 get_is_setup(Model m, ParticleIndex pi) -> bool
15867 get_is_setup(_ParticleAdaptor p) -> bool
15869 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15871 def show(self, *args):
15872 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15873 return _IMP_core.ClusterProvenance_show(self, *args)
15876 def setup_particle(*args):
15878 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15879 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15880 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15881 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15882 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15883 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15884 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15885 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15887 return _IMP_core.ClusterProvenance_setup_particle(*args)
15889 def add_attribute(self, *args):
15891 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15892 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15893 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15894 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15895 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15896 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15897 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15898 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15899 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15900 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15901 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15902 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15904 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15906 def get_value(self, *args):
15908 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15909 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15910 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15911 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15912 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15913 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15914 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15915 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15916 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15917 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15918 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15920 return _IMP_core.ClusterProvenance_get_value(self, *args)
15922 def set_value(self, *args):
15924 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15925 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15926 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15927 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15928 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15929 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15930 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15931 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15932 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15933 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15934 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15936 return _IMP_core.ClusterProvenance_set_value(self, *args)
15938 def remove_attribute(self, *args):
15940 remove_attribute(ClusterProvenance self, FloatKey a0)
15941 remove_attribute(ClusterProvenance self, IntKey a0)
15942 remove_attribute(ClusterProvenance self, FloatsKey a0)
15943 remove_attribute(ClusterProvenance self, IntsKey a0)
15944 remove_attribute(ClusterProvenance self, StringKey a0)
15945 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15946 remove_attribute(ClusterProvenance self, ObjectKey a0)
15947 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15948 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15949 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15950 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15952 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15954 def has_attribute(self, *args):
15956 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15957 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15958 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15959 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15960 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15961 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15962 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15963 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15964 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15965 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15966 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15968 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15970 def get_derivative(self, a0):
15971 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15972 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15974 def get_name(self):
15975 r"""get_name(ClusterProvenance self) -> std::string"""
15976 return _IMP_core.ClusterProvenance_get_name(self)
15978 def clear_caches(self):
15979 r"""clear_caches(ClusterProvenance self)"""
15980 return _IMP_core.ClusterProvenance_clear_caches(self)
15982 def set_name(self, a0):
15983 r"""set_name(ClusterProvenance self, std::string a0)"""
15984 return _IMP_core.ClusterProvenance_set_name(self, a0)
15987 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15988 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15990 def add_to_derivative(self, a0, a1, a2):
15991 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15992 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15994 def set_is_optimized(self, a0, a1):
15995 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15996 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15998 def get_is_optimized(self, a0):
15999 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
16000 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
16003 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
16004 return _IMP_core.ClusterProvenance_get_check_level(self)
16006 def __eq__(self, *args):
16008 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
16009 __eq__(ClusterProvenance self, Particle d) -> bool
16011 return _IMP_core.ClusterProvenance___eq__(self, *args)
16013 def __ne__(self, *args):
16015 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
16016 __ne__(ClusterProvenance self, Particle d) -> bool
16018 return _IMP_core.ClusterProvenance___ne__(self, *args)
16020 def __le__(self, *args):
16022 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
16023 __le__(ClusterProvenance self, Particle d) -> bool
16025 return _IMP_core.ClusterProvenance___le__(self, *args)
16027 def __lt__(self, *args):
16029 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
16030 __lt__(ClusterProvenance self, Particle d) -> bool
16032 return _IMP_core.ClusterProvenance___lt__(self, *args)
16034 def __ge__(self, *args):
16036 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
16037 __ge__(ClusterProvenance self, Particle d) -> bool
16039 return _IMP_core.ClusterProvenance___ge__(self, *args)
16041 def __gt__(self, *args):
16043 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
16044 __gt__(ClusterProvenance self, Particle d) -> bool
16046 return _IMP_core.ClusterProvenance___gt__(self, *args)
16048 def __hash__(self):
16049 r"""__hash__(ClusterProvenance self) -> std::size_t"""
16050 return _IMP_core.ClusterProvenance___hash__(self)
16053 r"""__str__(ClusterProvenance self) -> std::string"""
16054 return _IMP_core.ClusterProvenance___str__(self)
16056 def __repr__(self):
16057 r"""__repr__(ClusterProvenance self) -> std::string"""
16058 return _IMP_core.ClusterProvenance___repr__(self)
16060 def _get_as_binary(self):
16061 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
16062 return _IMP_core.ClusterProvenance__get_as_binary(self)
16064 def _set_from_binary(self, p):
16065 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
16066 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
16068 def __getstate__(self):
16069 p = self._get_as_binary()
16070 if len(self.__dict__) > 1:
16071 d = self.__dict__.copy()
16076 def __setstate__(self, p):
16077 if not hasattr(self,
'this'):
16079 if isinstance(p, tuple):
16081 self.__dict__.update(d)
16082 return self._set_from_binary(p)
16084 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
16087 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
16088 class ScriptProvenance(Provenance):
16089 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
16091 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16093 def set_filename(self, filename):
16094 r"""set_filename(ScriptProvenance self, std::string filename)"""
16095 return _IMP_core.ScriptProvenance_set_filename(self, filename)
16097 def get_filename(self):
16098 r"""get_filename(ScriptProvenance self) -> std::string"""
16099 return _IMP_core.ScriptProvenance_get_filename(self)
16101 def __init__(self, *args):
16103 __init__(ScriptProvenance self) -> ScriptProvenance
16104 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
16105 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
16107 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
16110 def get_is_setup(*args):
16112 get_is_setup(Model m, ParticleIndex pi) -> bool
16113 get_is_setup(_ParticleAdaptor p) -> bool
16115 return _IMP_core.ScriptProvenance_get_is_setup(*args)
16117 def show(self, *args):
16118 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
16119 return _IMP_core.ScriptProvenance_show(self, *args)
16122 def setup_particle(*args):
16124 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
16125 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
16126 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
16127 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
16129 return _IMP_core.ScriptProvenance_setup_particle(*args)
16131 def add_attribute(self, *args):
16133 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
16134 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16135 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
16136 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16137 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16138 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
16139 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16140 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
16141 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16142 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16143 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16144 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16146 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
16148 def get_value(self, *args):
16150 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
16151 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
16152 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
16153 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
16154 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
16155 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
16156 get_value(ScriptProvenance self, ObjectKey a0) -> Object
16157 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
16158 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
16159 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
16160 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16162 return _IMP_core.ScriptProvenance_get_value(self, *args)
16164 def set_value(self, *args):
16166 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16167 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
16168 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16169 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16170 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
16171 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16172 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
16173 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16174 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16175 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16176 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16178 return _IMP_core.ScriptProvenance_set_value(self, *args)
16180 def remove_attribute(self, *args):
16182 remove_attribute(ScriptProvenance self, FloatKey a0)
16183 remove_attribute(ScriptProvenance self, IntKey a0)
16184 remove_attribute(ScriptProvenance self, FloatsKey a0)
16185 remove_attribute(ScriptProvenance self, IntsKey a0)
16186 remove_attribute(ScriptProvenance self, StringKey a0)
16187 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
16188 remove_attribute(ScriptProvenance self, ObjectKey a0)
16189 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
16190 remove_attribute(ScriptProvenance self, SparseIntKey a0)
16191 remove_attribute(ScriptProvenance self, SparseStringKey a0)
16192 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
16194 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
16196 def has_attribute(self, *args):
16198 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
16199 has_attribute(ScriptProvenance self, IntKey a0) -> bool
16200 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
16201 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16202 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16203 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16204 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16205 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16206 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16207 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16208 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16210 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16212 def get_derivative(self, a0):
16213 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16214 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16216 def get_name(self):
16217 r"""get_name(ScriptProvenance self) -> std::string"""
16218 return _IMP_core.ScriptProvenance_get_name(self)
16220 def clear_caches(self):
16221 r"""clear_caches(ScriptProvenance self)"""
16222 return _IMP_core.ScriptProvenance_clear_caches(self)
16224 def set_name(self, a0):
16225 r"""set_name(ScriptProvenance self, std::string a0)"""
16226 return _IMP_core.ScriptProvenance_set_name(self, a0)
16229 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16230 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16232 def add_to_derivative(self, a0, a1, a2):
16233 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16234 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16236 def set_is_optimized(self, a0, a1):
16237 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16238 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16240 def get_is_optimized(self, a0):
16241 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16242 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16245 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16246 return _IMP_core.ScriptProvenance_get_check_level(self)
16248 def __eq__(self, *args):
16250 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16251 __eq__(ScriptProvenance self, Particle d) -> bool
16253 return _IMP_core.ScriptProvenance___eq__(self, *args)
16255 def __ne__(self, *args):
16257 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16258 __ne__(ScriptProvenance self, Particle d) -> bool
16260 return _IMP_core.ScriptProvenance___ne__(self, *args)
16262 def __le__(self, *args):
16264 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16265 __le__(ScriptProvenance self, Particle d) -> bool
16267 return _IMP_core.ScriptProvenance___le__(self, *args)
16269 def __lt__(self, *args):
16271 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16272 __lt__(ScriptProvenance self, Particle d) -> bool
16274 return _IMP_core.ScriptProvenance___lt__(self, *args)
16276 def __ge__(self, *args):
16278 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16279 __ge__(ScriptProvenance self, Particle d) -> bool
16281 return _IMP_core.ScriptProvenance___ge__(self, *args)
16283 def __gt__(self, *args):
16285 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16286 __gt__(ScriptProvenance self, Particle d) -> bool
16288 return _IMP_core.ScriptProvenance___gt__(self, *args)
16290 def __hash__(self):
16291 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16292 return _IMP_core.ScriptProvenance___hash__(self)
16295 r"""__str__(ScriptProvenance self) -> std::string"""
16296 return _IMP_core.ScriptProvenance___str__(self)
16298 def __repr__(self):
16299 r"""__repr__(ScriptProvenance self) -> std::string"""
16300 return _IMP_core.ScriptProvenance___repr__(self)
16302 def _get_as_binary(self):
16303 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16304 return _IMP_core.ScriptProvenance__get_as_binary(self)
16306 def _set_from_binary(self, p):
16307 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16308 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16310 def __getstate__(self):
16311 p = self._get_as_binary()
16312 if len(self.__dict__) > 1:
16313 d = self.__dict__.copy()
16318 def __setstate__(self, p):
16319 if not hasattr(self,
'this'):
16321 if isinstance(p, tuple):
16323 self.__dict__.update(d)
16324 return self._set_from_binary(p)
16326 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16329 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16330 class SoftwareProvenance(Provenance):
16331 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16333 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16335 def set_software_name(self, name):
16336 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16337 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16339 def get_software_name(self):
16340 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16341 return _IMP_core.SoftwareProvenance_get_software_name(self)
16343 def set_version(self, version):
16344 r"""set_version(SoftwareProvenance self, std::string version)"""
16345 return _IMP_core.SoftwareProvenance_set_version(self, version)
16347 def get_version(self):
16348 r"""get_version(SoftwareProvenance self) -> std::string"""
16349 return _IMP_core.SoftwareProvenance_get_version(self)
16351 def set_location(self, location):
16352 r"""set_location(SoftwareProvenance self, std::string location)"""
16353 return _IMP_core.SoftwareProvenance_set_location(self, location)
16355 def get_location(self):
16356 r"""get_location(SoftwareProvenance self) -> std::string"""
16357 return _IMP_core.SoftwareProvenance_get_location(self)
16359 def __init__(self, *args):
16361 __init__(SoftwareProvenance self) -> SoftwareProvenance
16362 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16363 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16365 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16368 def get_is_setup(*args):
16370 get_is_setup(Model m, ParticleIndex pi) -> bool
16371 get_is_setup(_ParticleAdaptor p) -> bool
16373 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16375 def show(self, *args):
16376 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16377 return _IMP_core.SoftwareProvenance_show(self, *args)
16380 def setup_particle(*args):
16382 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16383 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16384 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16385 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16387 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16389 def add_attribute(self, *args):
16391 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16392 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16393 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16394 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16395 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16396 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16397 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16398 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16399 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16400 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16401 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16402 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16404 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16406 def get_value(self, *args):
16408 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16409 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16410 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16411 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16412 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16413 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16414 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16415 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16416 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16417 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16418 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16420 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16422 def set_value(self, *args):
16424 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16425 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16426 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16427 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16428 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16429 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16430 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16431 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16432 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16433 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16434 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16436 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16438 def remove_attribute(self, *args):
16440 remove_attribute(SoftwareProvenance self, FloatKey a0)
16441 remove_attribute(SoftwareProvenance self, IntKey a0)
16442 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16443 remove_attribute(SoftwareProvenance self, IntsKey a0)
16444 remove_attribute(SoftwareProvenance self, StringKey a0)
16445 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16446 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16447 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16448 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16449 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16450 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16452 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16454 def has_attribute(self, *args):
16456 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16457 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16458 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16459 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16460 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16461 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16462 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16463 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16464 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16465 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16466 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16468 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16470 def get_derivative(self, a0):
16471 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16472 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16474 def get_name(self):
16475 r"""get_name(SoftwareProvenance self) -> std::string"""
16476 return _IMP_core.SoftwareProvenance_get_name(self)
16478 def clear_caches(self):
16479 r"""clear_caches(SoftwareProvenance self)"""
16480 return _IMP_core.SoftwareProvenance_clear_caches(self)
16482 def set_name(self, a0):
16483 r"""set_name(SoftwareProvenance self, std::string a0)"""
16484 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16487 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16488 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16490 def add_to_derivative(self, a0, a1, a2):
16491 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16492 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16494 def set_is_optimized(self, a0, a1):
16495 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16496 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16498 def get_is_optimized(self, a0):
16499 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16500 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16503 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16504 return _IMP_core.SoftwareProvenance_get_check_level(self)
16506 def __eq__(self, *args):
16508 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16509 __eq__(SoftwareProvenance self, Particle d) -> bool
16511 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16513 def __ne__(self, *args):
16515 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16516 __ne__(SoftwareProvenance self, Particle d) -> bool
16518 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16520 def __le__(self, *args):
16522 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16523 __le__(SoftwareProvenance self, Particle d) -> bool
16525 return _IMP_core.SoftwareProvenance___le__(self, *args)
16527 def __lt__(self, *args):
16529 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16530 __lt__(SoftwareProvenance self, Particle d) -> bool
16532 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16534 def __ge__(self, *args):
16536 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16537 __ge__(SoftwareProvenance self, Particle d) -> bool
16539 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16541 def __gt__(self, *args):
16543 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16544 __gt__(SoftwareProvenance self, Particle d) -> bool
16546 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16548 def __hash__(self):
16549 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16550 return _IMP_core.SoftwareProvenance___hash__(self)
16553 r"""__str__(SoftwareProvenance self) -> std::string"""
16554 return _IMP_core.SoftwareProvenance___str__(self)
16556 def __repr__(self):
16557 r"""__repr__(SoftwareProvenance self) -> std::string"""
16558 return _IMP_core.SoftwareProvenance___repr__(self)
16560 def _get_as_binary(self):
16561 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16562 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16564 def _set_from_binary(self, p):
16565 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16566 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16568 def __getstate__(self):
16569 p = self._get_as_binary()
16570 if len(self.__dict__) > 1:
16571 d = self.__dict__.copy()
16576 def __setstate__(self, p):
16577 if not hasattr(self,
'this'):
16579 if isinstance(p, tuple):
16581 self.__dict__.update(d)
16582 return self._set_from_binary(p)
16584 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16587 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16589 r"""Proxy of C++ IMP::core::Provenanced class."""
16591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16593 def get_provenance(self):
16594 r"""get_provenance(Provenanced self) -> Provenance"""
16595 return _IMP_core.Provenanced_get_provenance(self)
16597 def set_provenance(self, p):
16598 r"""set_provenance(Provenanced self, Provenance p)"""
16599 return _IMP_core.Provenanced_set_provenance(self, p)
16601 def __init__(self, *args):
16603 __init__(Provenanced self) -> Provenanced
16604 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16605 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16607 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16610 def get_is_setup(*args):
16612 get_is_setup(Model m, ParticleIndex pi) -> bool
16613 get_is_setup(_ParticleAdaptor p) -> bool
16615 return _IMP_core.Provenanced_get_is_setup(*args)
16617 def show(self, *args):
16618 r"""show(Provenanced self, _ostream out=std::cout)"""
16619 return _IMP_core.Provenanced_show(self, *args)
16622 def setup_particle(*args):
16624 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16625 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16627 return _IMP_core.Provenanced_setup_particle(*args)
16629 def add_attribute(self, *args):
16631 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16632 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16633 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16634 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16635 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16636 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16637 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16638 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16639 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16640 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16641 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16642 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16644 return _IMP_core.Provenanced_add_attribute(self, *args)
16646 def get_value(self, *args):
16648 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16649 get_value(Provenanced self, IntKey a0) -> IMP::Int
16650 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16651 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16652 get_value(Provenanced self, StringKey a0) -> IMP::String
16653 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16654 get_value(Provenanced self, ObjectKey a0) -> Object
16655 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16656 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16657 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16658 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16660 return _IMP_core.Provenanced_get_value(self, *args)
16662 def set_value(self, *args):
16664 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16665 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16666 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16667 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16668 set_value(Provenanced self, StringKey a0, IMP::String a1)
16669 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16670 set_value(Provenanced self, ObjectKey a0, Object a1)
16671 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16672 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16673 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16674 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16676 return _IMP_core.Provenanced_set_value(self, *args)
16678 def remove_attribute(self, *args):
16680 remove_attribute(Provenanced self, FloatKey a0)
16681 remove_attribute(Provenanced self, IntKey a0)
16682 remove_attribute(Provenanced self, FloatsKey a0)
16683 remove_attribute(Provenanced self, IntsKey a0)
16684 remove_attribute(Provenanced self, StringKey a0)
16685 remove_attribute(Provenanced self, ParticleIndexKey a0)
16686 remove_attribute(Provenanced self, ObjectKey a0)
16687 remove_attribute(Provenanced self, SparseFloatKey a0)
16688 remove_attribute(Provenanced self, SparseIntKey a0)
16689 remove_attribute(Provenanced self, SparseStringKey a0)
16690 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16692 return _IMP_core.Provenanced_remove_attribute(self, *args)
16694 def has_attribute(self, *args):
16696 has_attribute(Provenanced self, FloatKey a0) -> bool
16697 has_attribute(Provenanced self, IntKey a0) -> bool
16698 has_attribute(Provenanced self, FloatsKey a0) -> bool
16699 has_attribute(Provenanced self, IntsKey a0) -> bool
16700 has_attribute(Provenanced self, StringKey a0) -> bool
16701 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16702 has_attribute(Provenanced self, ObjectKey a0) -> bool
16703 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16704 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16705 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16706 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16708 return _IMP_core.Provenanced_has_attribute(self, *args)
16710 def get_derivative(self, a0):
16711 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16712 return _IMP_core.Provenanced_get_derivative(self, a0)
16714 def get_name(self):
16715 r"""get_name(Provenanced self) -> std::string"""
16716 return _IMP_core.Provenanced_get_name(self)
16718 def clear_caches(self):
16719 r"""clear_caches(Provenanced self)"""
16720 return _IMP_core.Provenanced_clear_caches(self)
16722 def set_name(self, a0):
16723 r"""set_name(Provenanced self, std::string a0)"""
16724 return _IMP_core.Provenanced_set_name(self, a0)
16727 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16728 return _IMP_core.Provenanced_set_check_level(self, a0)
16730 def add_to_derivative(self, a0, a1, a2):
16731 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16732 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16734 def set_is_optimized(self, a0, a1):
16735 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16736 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16738 def get_is_optimized(self, a0):
16739 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16740 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16743 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16744 return _IMP_core.Provenanced_get_check_level(self)
16746 def __eq__(self, *args):
16748 __eq__(Provenanced self, Provenanced o) -> bool
16749 __eq__(Provenanced self, Particle d) -> bool
16751 return _IMP_core.Provenanced___eq__(self, *args)
16753 def __ne__(self, *args):
16755 __ne__(Provenanced self, Provenanced o) -> bool
16756 __ne__(Provenanced self, Particle d) -> bool
16758 return _IMP_core.Provenanced___ne__(self, *args)
16760 def __le__(self, *args):
16762 __le__(Provenanced self, Provenanced o) -> bool
16763 __le__(Provenanced self, Particle d) -> bool
16765 return _IMP_core.Provenanced___le__(self, *args)
16767 def __lt__(self, *args):
16769 __lt__(Provenanced self, Provenanced o) -> bool
16770 __lt__(Provenanced self, Particle d) -> bool
16772 return _IMP_core.Provenanced___lt__(self, *args)
16774 def __ge__(self, *args):
16776 __ge__(Provenanced self, Provenanced o) -> bool
16777 __ge__(Provenanced self, Particle d) -> bool
16779 return _IMP_core.Provenanced___ge__(self, *args)
16781 def __gt__(self, *args):
16783 __gt__(Provenanced self, Provenanced o) -> bool
16784 __gt__(Provenanced self, Particle d) -> bool
16786 return _IMP_core.Provenanced___gt__(self, *args)
16788 def __hash__(self):
16789 r"""__hash__(Provenanced self) -> std::size_t"""
16790 return _IMP_core.Provenanced___hash__(self)
16793 r"""__str__(Provenanced self) -> std::string"""
16794 return _IMP_core.Provenanced___str__(self)
16796 def __repr__(self):
16797 r"""__repr__(Provenanced self) -> std::string"""
16798 return _IMP_core.Provenanced___repr__(self)
16800 def _get_as_binary(self):
16801 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16802 return _IMP_core.Provenanced__get_as_binary(self)
16804 def _set_from_binary(self, p):
16805 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16806 return _IMP_core.Provenanced__set_from_binary(self, p)
16808 def __getstate__(self):
16809 p = self._get_as_binary()
16810 if len(self.__dict__) > 1:
16811 d = self.__dict__.copy()
16816 def __setstate__(self, p):
16817 if not hasattr(self,
'this'):
16819 if isinstance(p, tuple):
16821 self.__dict__.update(d)
16822 return self._set_from_binary(p)
16824 __swig_destroy__ = _IMP_core.delete_Provenanced
16827 _IMP_core.Provenanced_swigregister(Provenanced)
16830 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16831 return _IMP_core.add_provenance(m, pi, p)
16834 r"""create_clone(Provenance p, Model m=None) -> Provenance"""
16835 return _IMP_core.create_clone(p, m)
16839 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16840 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16841 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16843 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16846 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16847 return _IMP_core.create_restraint(ps, pp)
16849 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16853 def __init__(self, *args):
16855 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16856 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16858 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16860 def get_version_info(self):
16861 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16862 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16863 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16866 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16867 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16869 def __repr__(self):
16870 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16871 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16875 return _object_cast_to_TruncatedHarmonic(o)
16879 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16881 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16883 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16885 def __init__(self, *args):
16887 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16888 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16890 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16892 def get_version_info(self):
16893 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16894 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16895 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16898 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16899 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16901 def __repr__(self):
16902 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16903 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16907 return _object_cast_to_TruncatedHarmonic(o)
16911 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16913 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16915 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16917 def __init__(self, *args):
16919 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16920 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16922 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16924 def get_version_info(self):
16925 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16926 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16927 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16930 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16931 return _IMP_core.TruncatedHarmonicBound___str__(self)
16933 def __repr__(self):
16934 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16935 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16939 return _object_cast_to_TruncatedHarmonic(o)
16943 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16945 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16949 def __init__(self, *args):
16951 __init__(ParticleType self) -> ParticleType
16952 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16953 __init__(ParticleType self, unsigned int i) -> ParticleType
16955 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16959 r"""add_key(std::string const & sc) -> unsigned int"""
16960 return _IMP_core.ParticleType_add_key(sc)
16963 def get_existing_key(sc):
16964 r"""get_existing_key(std::string const & sc) -> ParticleType"""
16965 return _IMP_core.ParticleType_get_existing_key(sc)
16968 def get_key_exists(sc):
16969 r"""get_key_exists(std::string const & sc) -> bool"""
16970 return _IMP_core.ParticleType_get_key_exists(sc)
16972 def get_string(self):
16973 r"""get_string(ParticleType self) -> std::string const"""
16974 return _IMP_core.ParticleType_get_string(self)
16976 def __eq__(self, o):
16977 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16978 return _IMP_core.ParticleType___eq__(self, o)
16980 def __ne__(self, o):
16981 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16982 return _IMP_core.ParticleType___ne__(self, o)
16984 def __lt__(self, o):
16985 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16986 return _IMP_core.ParticleType___lt__(self, o)
16988 def __gt__(self, o):
16989 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16990 return _IMP_core.ParticleType___gt__(self, o)
16992 def __ge__(self, o):
16993 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16994 return _IMP_core.ParticleType___ge__(self, o)
16996 def __le__(self, o):
16997 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16998 return _IMP_core.ParticleType___le__(self, o)
17000 def __hash__(self):
17001 r"""__hash__(ParticleType self) -> std::size_t"""
17002 return _IMP_core.ParticleType___hash__(self)
17004 def show(self, *args):
17005 r"""show(ParticleType self, _ostream out=std::cout)"""
17006 return _IMP_core.ParticleType_show(self, *args)
17009 def add_alias(old_key, new_name):
17010 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
17011 return _IMP_core.ParticleType_add_alias(old_key, new_name)
17014 def get_number_of_keys():
17015 r"""get_number_of_keys() -> unsigned int"""
17016 return _IMP_core.ParticleType_get_number_of_keys()
17019 r"""get_index(ParticleType self) -> unsigned int"""
17020 return _IMP_core.ParticleType_get_index(self)
17024 r"""show_all(_ostream out)"""
17025 return _IMP_core.ParticleType_show_all(out)
17028 def get_all_strings():
17029 r"""get_all_strings() -> IMP::Vector< std::string >"""
17030 return _IMP_core.ParticleType_get_all_strings()
17033 def get_number_unique():
17034 r"""get_number_unique() -> unsigned int"""
17035 return _IMP_core.ParticleType_get_number_unique()
17038 r"""__str__(ParticleType self) -> std::string"""
17039 return _IMP_core.ParticleType___str__(self)
17041 def __repr__(self):
17042 r"""__repr__(ParticleType self) -> std::string"""
17043 return _IMP_core.ParticleType___repr__(self)
17044 __swig_destroy__ = _IMP_core.delete_ParticleType
17047 _IMP_core.ParticleType_swigregister(ParticleType)
17049 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
17051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17052 __repr__ = _swig_repr
17054 def __init__(self, f, k):
17055 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
17056 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
17058 def do_get_inputs(self, m, pis):
17059 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17060 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
17062 def get_unary_function(self):
17063 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
17064 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
17067 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
17068 return _IMP_core.AttributeSingletonScore_get_key(self)
17070 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17071 r"""evaluate_indexes(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17072 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17074 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17075 r"""evaluate_indexes_scores(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17076 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17078 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17079 r"""evaluate_indexes_delta(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17080 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17082 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17083 r"""evaluate_if_good_indexes(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17084 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17086 def get_version_info(self):
17087 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
17088 return _IMP_core.AttributeSingletonScore_get_version_info(self)
17089 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
17093 return _object_cast_to_AttributeSingletonScore(o)
17096 def _get_jax(self, m, indexes, space):
17097 def score_float_key(jm, key, uf):
17098 return uf(jm[key][indexes])
17100 def score_xyz_key(jm, xyz_index, uf):
17101 return uf(jm[
'xyz'][indexes, xyz_index])
17103 uf = self.get_unary_function().get_derived_object()._get_jax()
17104 key = self.get_key()
17107 if key.get_index() >= 7:
17109 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
17110 elif key == XYZR.get_radius_key():
17112 f = functools.partial(score_float_key, key=
'r', uf=uf)
17113 elif key
in XYZ.get_xyz_keys():
17115 xyz_index = XYZ.get_xyz_keys().index(key)
17116 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
17118 raise NotImplementedError(
"No support for key %s" % key)
17119 return self._wrap_jax(m, f, keys=need_keys)
17123 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
17126 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
17127 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
17129 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
17131 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17132 __repr__ = _swig_repr
17134 def __init__(self, f, bb):
17135 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17136 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
17138 def get_unary_function(self):
17139 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
17140 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
17143 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
17144 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
17146 def do_get_inputs(self, m, pis):
17147 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17148 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
17150 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17151 r"""evaluate_indexes(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17152 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17154 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17155 r"""evaluate_indexes_scores(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17156 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17158 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17159 r"""evaluate_indexes_delta(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17160 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17162 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17163 r"""evaluate_if_good_indexes(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17164 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17166 def get_version_info(self):
17167 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
17168 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
17169 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
17173 return _object_cast_to_BoundingBox3DSingletonScore(o)
17176 def _get_jax(self, m, indexes, space):
17177 import jax.numpy
as jnp
17178 def score(jm, box_min, box_max, uf):
17179 xyzs = jm[
'xyz'][indexes]
17180 diff = xyzs - jnp.clip(xyzs, box_min, box_max)
17181 outside = jnp.any(diff != 0., axis=-1)
17184 safe_diff = jnp.where(outside[..., jnp.newaxis], diff, 1.)
17185 drs = jnp.where(outside, space.distance(safe_diff), 0.)
17186 return jnp.where(outside, uf(drs), 0.)
17187 uf = self.get_unary_function().get_derived_object()
17188 bb = self.get_bounding_box()
17189 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
17190 box_max=jnp.asarray(bb.get_corner(1)),
17192 return self._wrap_jax(m, f)
17196 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
17198 def create_bounding_box_3d_singleton_score(f, bb):
17199 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17200 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17202 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17204 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17205 __repr__ = _swig_repr
17207 def __init__(self, f, sphere):
17208 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17209 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17211 def do_get_inputs(self, m, pis):
17212 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17213 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17215 def get_unary_function(self):
17216 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17217 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17219 def get_sphere(self):
17220 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17221 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17223 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17224 r"""evaluate_indexes(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17225 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17227 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17228 r"""evaluate_indexes_scores(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17229 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17231 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17232 r"""evaluate_indexes_delta(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17233 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17235 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17236 r"""evaluate_if_good_indexes(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17237 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17239 def get_version_info(self):
17240 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17241 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17242 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17246 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17249 def _get_jax(self, m, indexes, space):
17251 import jax.numpy
as jnp
17252 def score(jm, use_radii, center, radius, uf):
17253 xyzs = jm[
'xyz'][indexes]
17254 radii = jnp.where(use_radii, jm[
'r'][indexes], 0.0)
17255 drs = space.distance(xyzs - center) + radii - radius
17256 return jnp.where(drs < 0.000001, 0.0, uf(drs))
17258 for ind
in indexes])
17259 uf = self.get_unary_function().get_derived_object()
17260 sphere = self.get_sphere()
17261 f = functools.partial(score, use_radii=use_radii,
17262 center=jnp.asarray(sphere.get_center()),
17263 radius=sphere.get_radius(), uf=uf._get_jax())
17264 return self._wrap_jax(m, f)
17268 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17270 def create_bounding_sphere_3d_singleton_score(f, sphere):
17271 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17272 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17274 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17276 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17277 __repr__ = _swig_repr
17279 def __init__(self, *args):
17281 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17282 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17284 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17286 def do_get_inputs(self, m, pis):
17287 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17288 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17290 def get_unary_function(self):
17291 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17292 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17294 def get_point(self):
17295 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17296 return _IMP_core.DistanceToSingletonScore_get_point(self)
17298 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17299 r"""evaluate_indexes(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17300 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17302 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17303 r"""evaluate_indexes_scores(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17304 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17306 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17307 r"""evaluate_indexes_delta(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17308 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17310 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17311 r"""evaluate_if_good_indexes(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17312 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17314 def get_version_info(self):
17315 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17316 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17317 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17321 return _object_cast_to_DistanceToSingletonScore(o)
17324 def _get_as_binary(self):
17325 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17326 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17328 def _set_from_binary(self, p):
17329 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17330 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17332 def __getstate__(self):
17333 p = self._get_as_binary()
17334 if len(self.__dict__) > 1:
17335 d = self.__dict__.copy()
17340 def __setstate__(self, p):
17341 if not hasattr(self,
'this'):
17343 if isinstance(p, tuple):
17345 self.__dict__.update(d)
17346 return self._set_from_binary(p)
17349 def _get_jax(self, m, indexes, space):
17350 import jax.numpy
as jnp
17351 def score(jm, point, uf):
17352 xyzs = jm[
'xyz'][indexes]
17353 drs = space.distance(xyzs - point)
17355 uf = self.get_unary_function().get_derived_object()
17356 f = functools.partial(score, point=jnp.array(self.get_point()),
17358 return self._wrap_jax(m, f)
17362 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17364 def create_distance_to_singleton_score(f, pt):
17365 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17366 return _IMP_core.create_distance_to_singleton_score(f, pt)
17368 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17369 def __init__(self, uf):
17370 if isinstance(uf, HarmonicUpperBound):
17371 p = HarmonicUpperBoundSphereDistancePairScore(
17372 uf.get_mean(), uf.get_k())
17373 elif isinstance(uf, HarmonicLowerBound):
17374 if uf.get_mean() == 0.0:
17375 p = SoftSpherePairScore(uf.get_k())
17377 p = _SphereDistancePairScore(uf)
17378 elif isinstance(uf, Harmonic):
17379 p = HarmonicSphereDistancePairScore(
17380 uf.get_mean(), uf.get_k())
17382 p = _SphereDistancePairScore(uf)
17383 self.__dict__[
'_proxied'] = p
17384 def __getattr__(self, key):
17385 return getattr(self._proxied, key)
17386 def __setattr__(self, key, val):
17387 return setattr(self._proxied, key, val)
17389 def __getstate__(self):
17390 return self.__dict__[
'_proxied']
17392 def __setstate__(self, p):
17393 self.__dict__[
'_proxied'] = p
17395 def _get_jax(self, *args, **kwargs):
17396 return self._proxied._get_jax(*args, **kwargs)
17401 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17404 p = HarmonicSphereDistancePairScore.get_from(o)
17407 p = SoftSpherePairScore.get_from(o)
17409 p = _SphereDistancePairScore.get_from(o)
17410 obj = object.__new__(SphereDistancePairScore)
17411 obj.__dict__[
'_proxied'] = p
17417 CombineProvenance, FilterProvenance,
17418 ClusterProvenance, ScriptProvenance,
17419 SoftwareProvenance]):
17420 """Yield all provenance decorators of the given types for the particle.
17421 By default, all provenance types are returned. Provenance is returned
17422 in order, most recent first. If the particle has no provenance
17423 information, an empty generator is returned."""
17424 if Provenanced.get_is_setup(p):
17428 if c.get_is_setup(prov):
17430 prov = prov.get_previous()
17433 """Tag the given particle with the current Python script.
17434 This is a noop if the particle is already so tagged."""
17435 main = sys.modules[
'__main__']
17437 if not hasattr(main,
'__file__'):
17441 if prov.get_filename() == f:
17445 provp.set_name(
'script')
17446 prov = ScriptProvenance.setup_particle(provp, f)
17450 """Tag the given particle with the software used to create it.
17451 This is a noop if the particle is already so tagged."""
17453 if prov.get_software_name() == name
and prov.get_version() == version \
17454 and prov.get_location() == location:
17458 provp.set_name(
'software')
17459 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17463 """Tag the given particle as being created by the current version of IMP."""
17466 location=
"https://integrativemodeling.org")
17469 def get_module_name():
17470 r"""get_module_name() -> std::string const"""
17471 return _IMP_core.get_module_name()
17474 r"""get_module_version() -> std::string const"""
17475 return _IMP_core.get_module_version()
17478 r"""get_example_path(std::string fname) -> std::string"""
17479 return _IMP_core.get_example_path(fname)
17482 r"""get_data_path(std::string fname) -> std::string"""
17483 return _IMP_core.get_data_path(fname)
17485 from .
import _version_check
F visit_breadth_first(HD d, F f)
Apply the visitor to each particle, breadth first.
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
GenericDistanceToSingletonScore< UnaryFunction > DistanceToSingletonScore
Rotation3D get_rotation_about_normalized_axis(const Vector3D &axis_norm, double angle)
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
Abstract class for scoring object(s) of type ParticleIndexPair.
double get_height(const Surface &s, const XYZR &d)
Get height of sphere above surface.
algebra::Transformation3D get_transformation_aligning_first_to_second(XYZsOrVector3ds a, XYZsOrVector3ds b)
CheckLevel get_check_level()
Get the current audit mode.
def add_script_provenance
Tag the given particle with the current Python script.
Utility functions for the JAX Python library.
GenericBoundingSphere3DSingletonScore< UnaryFunction > BoundingSphere3DSingletonScore
Abstract predicate function.
Restraint * create_restraint(Score *s, const typename Score::Argument &t, std::string name=std::string())
ParticleIndex get_root_rigid_body(RigidMember m)
Return the index of the outer-most rigid body containing the member.
algebra::ReferenceFrame3D get_initial_reference_frame(Model *m, const ParticleIndexes &pis)
The base class for geometry.
F visit_depth_first(HD d, F &f)
Apply functor F to each particle, traversing the hierarchy depth first.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
A base class for geometry contained in particles.
double get_angle(Direction a, Direction b)
Get angle between directions.
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
Make CGAL functionality available to IMP.
ParticlesTemp create_rigid_bodies(Model *m, unsigned int n, bool no_members=false)
An unbounded space with no periodic boundary conditions.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_rigid_body_cache_key(ObjectKey k)
Base class for all samplers.
Key< 34897493 > ParticleType
An IMP::Key object for identifying types of particles by strings.
algebra::Vector3D get_centroid(const XYZs &ps)
Get the centroid.
void add_particle(RMF::FileHandle fh, Particle *hs)
Return all close unordered pairs of particles taken from the SingletonContainer.
GenericHierarchies get_leaves(Hierarchy mhd)
Get all the leaves of the bit of hierarchy.
static FloatKeys get_internal_coordinate_keys()
Composable functors to implement scores via compile-time composition.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
GenericHierarchies get_all_descendants(Hierarchy mhd)
Get all the particles in the subtree.
A base class for geometry from a set of particles.
def add_imp_provenance
Tag the given particle as being created by the current version of IMP.
display::Geometries create_blame_geometries(const RestraintsTemp &rs, const ParticlesTemp &ps, double max=NO_MAX, std::string name=std::string())
void show_rigid_body_hierarchy(RigidBody rb, TextOutput out=TextOutput(std::cout))
Implement a constraint on the Model.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
def add_software_provenance
Tag the given particle with the software used to create it.
Abstract class for scoring object(s) of type ParticleIndexQuad.
Base class for objects in a Model that depend on other objects.
Abstract predicate function.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
double get_mean(const DoubleMatrix &mat, const IntMatrix &mask)
int get_number_of_frames(const ::npctransport_proto::Assignment &config, double time_step)
Abstract class for scoring object(s) of type ParticleIndex.
ScoreStates maintain invariants in the Model.
Base class for all optimizers.
GenericAttributeSingletonScore< UnaryFunction > AttributeSingletonScore
SurfaceGeometry * create_geometry(const Surface s, std::string name=std::string("SurfaceGeometry%1%"))
Create a geometry from a Surface.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
algebra::BoundingBoxD< 3 > get_bounding_box(const XYZRs &ps)
Get the bounding box.
const algebra::Vector3D & get_vector_geometry(XYZ d)
Support for the JAX Python library.
GenericHierarchies get_internal(Hierarchy mhd)
Get all the non-leaves of the bit of hierarchy.
Interface to specialized Particle types (e.g. atoms)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
algebra::Sphere3D get_enclosing_sphere(const XYZs &v)
Get a sphere enclosing the set of XYZRs.
Base class for optimizers that act on individual attributes.
Basic functionality that is expected to be used by a wide variety of IMP users.
SurfaceGeometry * get_constrained_surface_geometry(const Surface s, std::string name="SurfaceGeometry%1%")
Get surface geometry constrained to the surface.
Abstract predicate function.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Represents a scoring function on the model.
void set_vector_geometry(XYZ d, const algebra::Vector3D &v)
Provenance create_clone(Provenance p, Model *m=nullptr)
Clone provenance (including previous provenance)
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract predicate function.
GenericBoundingBox3DSingletonScore< UnaryFunction > BoundingBox3DSingletonScore
Abstract class to implement hierarchical methods.
double get_depth(const Surface &s, const XYZR &d)
Get depth of sphere below surface.
void set_enclosing_radius(XYZR b, const XYZs &v)
Set the radius of the first to enclose the list.
Class to handle individual particles of a Model object.
GenericAttributeSingletonScore< UF > * create_generic_attribute_singleton_score(UF *uf, FloatKey k)
void transform(RigidBody a, const algebra::Transformation3D &tr)
Transform a rigid body.
void assign_blame(const RestraintsTemp &rs, const ParticlesTemp &ps, FloatKey attribute)
std::string get_module_version()
Return the version of this module, as a string.
TruncatedHarmonic< BOTH > TruncatedHarmonicBound
TruncatedHarmonic< UPPER > TruncatedHarmonicUpperBound
static const FloatKeys & get_xyz_keys()
Get a vector containing the keys for x,y,z.
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
def get_all_provenance
Yield all provenance decorators of the given types for the particle.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void add_provenance(Model *m, ParticleIndex pi, Provenance p)
Add provenance to part of the model.
Tag part of the system to track how it was created.
double get_distance(const Surface &s, const XYZR &d)
Get distance from sphere to surface.
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract single variable functor class for score functions.
void set_enclosing_sphere(XYZR b, const XYZs &v, double slack=0)
Set the coordinates and radius of the first to enclose the list.
TruncatedHarmonic< LOWER > TruncatedHarmonicLowerBound
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
std::string get_module_version()
Return the version of this module, as a string.
A restraint is a term in an IMP ScoringFunction.