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(
"AttributeSingletonScore")
356 def _object_cast_to_AttributeSingletonScore(o):
357 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
358 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
360 _object_types.append(
"BallMover")
363 def _object_cast_to_BallMover(o):
364 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
365 return _IMP_core._object_cast_to_BallMover(o)
367 _object_types.append(
"SerialMover")
370 def _object_cast_to_SerialMover(o):
371 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
372 return _IMP_core._object_cast_to_SerialMover(o)
374 _object_types.append(
"SubsetMover")
377 def _object_cast_to_SubsetMover(o):
378 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
379 return _IMP_core._object_cast_to_SubsetMover(o)
381 _object_types.append(
"DirectionMover")
384 def _object_cast_to_DirectionMover(o):
385 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
386 return _IMP_core._object_cast_to_DirectionMover(o)
388 _object_types.append(
"SurfaceMover")
391 def _object_cast_to_SurfaceMover(o):
392 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
393 return _IMP_core._object_cast_to_SurfaceMover(o)
395 _object_types.append(
"BoundingBox3DSingletonScore")
398 def _object_cast_to_BoundingBox3DSingletonScore(o):
399 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
400 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
402 _object_types.append(
"BoundingSphere3DSingletonScore")
405 def _object_cast_to_BoundingSphere3DSingletonScore(o):
406 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
407 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
409 _object_types.append(
"BoxSweepClosePairsFinder")
412 def _object_cast_to_BoxSweepClosePairsFinder(o):
413 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
414 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
416 _object_types.append(
"NearestNeighborsClosePairsFinder")
419 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
420 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
421 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
423 _object_types.append(
"CentroidOfRefined")
426 def _object_cast_to_CentroidOfRefined(o):
427 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
428 return _IMP_core._object_cast_to_CentroidOfRefined(o)
430 _object_types.append(
"ChecksScoreState")
433 def _object_cast_to_ChecksScoreState(o):
434 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
435 return _IMP_core._object_cast_to_ChecksScoreState(o)
437 _object_types.append(
"ChildrenRefiner")
440 def _object_cast_to_ChildrenRefiner(o):
441 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
442 return _IMP_core._object_cast_to_ChildrenRefiner(o)
444 _object_types.append(
"ClosePairsFinder")
447 def _object_cast_to_ClosePairsFinder(o):
448 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
449 return _IMP_core._object_cast_to_ClosePairsFinder(o)
451 _object_types.append(
"ClosePairsPairScore")
454 def _object_cast_to_ClosePairsPairScore(o):
455 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
456 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
458 _object_types.append(
"ClosedCubicSpline")
461 def _object_cast_to_ClosedCubicSpline(o):
462 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
463 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
465 _object_types.append(
"ConjugateGradients")
468 def _object_cast_to_ConjugateGradients(o):
469 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
470 return _IMP_core._object_cast_to_ConjugateGradients(o)
472 _object_types.append(
"ConnectivityRestraint")
475 def _object_cast_to_ConnectivityRestraint(o):
476 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
477 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
479 _object_types.append(
"ConstantRestraint")
482 def _object_cast_to_ConstantRestraint(o):
483 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
484 return _IMP_core._object_cast_to_ConstantRestraint(o)
486 _object_types.append(
"Cosine")
489 def _object_cast_to_Cosine(o):
490 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
491 return _IMP_core._object_cast_to_Cosine(o)
493 _object_types.append(
"CoverRefined")
496 def _object_cast_to_CoverRefined(o):
497 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
498 return _IMP_core._object_cast_to_CoverRefined(o)
500 _object_types.append(
"DerivativesFromRefined")
503 def _object_cast_to_DerivativesFromRefined(o):
504 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
505 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
507 _object_types.append(
"DerivativesToRefined")
510 def _object_cast_to_DerivativesToRefined(o):
511 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
512 return _IMP_core._object_cast_to_DerivativesToRefined(o)
514 _object_types.append(
"WeightedDerivativesToRefined")
517 def _object_cast_to_WeightedDerivativesToRefined(o):
518 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
519 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
521 _object_types.append(
"DiameterRestraint")
524 def _object_cast_to_DiameterRestraint(o):
525 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
526 return _IMP_core._object_cast_to_DiameterRestraint(o)
528 _object_types.append(
"DihedralRestraint")
531 def _object_cast_to_DihedralRestraint(o):
532 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
533 return _IMP_core._object_cast_to_DihedralRestraint(o)
535 _object_types.append(
"DistanceRestraint")
538 def _object_cast_to_DistanceRestraint(o):
539 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
540 return _IMP_core._object_cast_to_DistanceRestraint(o)
542 _object_types.append(
"DistanceToSingletonScore")
545 def _object_cast_to_DistanceToSingletonScore(o):
546 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
547 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
549 _object_types.append(
"ExcludedVolumeRestraint")
552 def _object_cast_to_ExcludedVolumeRestraint(o):
553 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
554 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
556 _object_types.append(
"FixedRefiner")
559 def _object_cast_to_FixedRefiner(o):
560 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
561 return _IMP_core._object_cast_to_FixedRefiner(o)
563 _object_types.append(
"GridClosePairsFinder")
566 def _object_cast_to_GridClosePairsFinder(o):
567 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
568 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
570 _object_types.append(
"Harmonic")
573 def _object_cast_to_Harmonic(o):
574 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
575 return _IMP_core._object_cast_to_Harmonic(o)
577 _object_types.append(
"HarmonicWell")
580 def _object_cast_to_HarmonicWell(o):
581 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
582 return _IMP_core._object_cast_to_HarmonicWell(o)
584 _object_types.append(
"HarmonicLowerBound")
587 def _object_cast_to_HarmonicLowerBound(o):
588 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
589 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
591 _object_types.append(
"HarmonicUpperBound")
594 def _object_cast_to_HarmonicUpperBound(o):
595 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
596 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
598 _object_types.append(
"HarmonicSphereDistancePairScore")
601 def _object_cast_to_HarmonicSphereDistancePairScore(o):
602 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
603 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
605 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
608 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
609 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
610 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
612 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
615 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
616 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
617 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
619 _object_types.append(
"HarmonicSurfaceDistancePairScore")
622 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
623 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
626 _object_types.append(
"HarmonicSurfaceHeightPairScore")
629 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
630 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
631 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDepthPairScore")
636 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
640 _object_types.append(
"WeightedSum")
643 def _object_cast_to_WeightedSum(o):
644 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
645 return _IMP_core._object_cast_to_WeightedSum(o)
647 _object_types.append(
"WeightedSumOfExponential")
650 def _object_cast_to_WeightedSumOfExponential(o):
651 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
652 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
654 _object_types.append(
"KClosePairsPairScore")
657 def _object_cast_to_KClosePairsPairScore(o):
658 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
659 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
661 _object_types.append(
"LeavesRefiner")
664 def _object_cast_to_LeavesRefiner(o):
665 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
666 return _IMP_core._object_cast_to_LeavesRefiner(o)
668 _object_types.append(
"Linear")
671 def _object_cast_to_Linear(o):
672 r"""_object_cast_to_Linear(Object o) -> Linear"""
673 return _IMP_core._object_cast_to_Linear(o)
675 _object_types.append(
"LogNormalMover")
678 def _object_cast_to_LogNormalMover(o):
679 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
680 return _IMP_core._object_cast_to_LogNormalMover(o)
682 _object_types.append(
"MCCGSampler")
685 def _object_cast_to_MCCGSampler(o):
686 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
687 return _IMP_core._object_cast_to_MCCGSampler(o)
689 _object_types.append(
"MonteCarlo")
692 def _object_cast_to_MonteCarlo(o):
693 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
694 return _IMP_core._object_cast_to_MonteCarlo(o)
696 _object_types.append(
"MonteCarloWithLocalOptimization")
699 def _object_cast_to_MonteCarloWithLocalOptimization(o):
700 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
701 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
703 _object_types.append(
"MonteCarloWithBasinHopping")
706 def _object_cast_to_MonteCarloWithBasinHopping(o):
707 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
708 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
710 _object_types.append(
"MSConnectivityRestraint")
713 def _object_cast_to_MSConnectivityRestraint(o):
714 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
715 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
717 _object_types.append(
"NeighborsTable")
720 def _object_cast_to_NeighborsTable(o):
721 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
722 return _IMP_core._object_cast_to_NeighborsTable(o)
724 _object_types.append(
"NormalMover")
727 def _object_cast_to_NormalMover(o):
728 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
729 return _IMP_core._object_cast_to_NormalMover(o)
731 _object_types.append(
"NormalizedSphereDistancePairScore")
734 def _object_cast_to_NormalizedSphereDistancePairScore(o):
735 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
736 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
738 _object_types.append(
"OpenCubicSpline")
741 def _object_cast_to_OpenCubicSpline(o):
742 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
743 return _IMP_core._object_cast_to_OpenCubicSpline(o)
745 _object_types.append(
"PairConstraint")
748 def _object_cast_to_PairConstraint(o):
749 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
750 return _IMP_core._object_cast_to_PairConstraint(o)
752 _object_types.append(
"PairRestraint")
755 def _object_cast_to_PairRestraint(o):
756 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
757 return _IMP_core._object_cast_to_PairRestraint(o)
759 _object_types.append(
"QuadConstraint")
762 def _object_cast_to_QuadConstraint(o):
763 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
764 return _IMP_core._object_cast_to_QuadConstraint(o)
766 _object_types.append(
"QuadRestraint")
769 def _object_cast_to_QuadRestraint(o):
770 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
771 return _IMP_core._object_cast_to_QuadRestraint(o)
773 _object_types.append(
"QuadraticClosePairsFinder")
776 def _object_cast_to_QuadraticClosePairsFinder(o):
777 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
778 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
780 _object_types.append(
"RefinedPairsPairScore")
783 def _object_cast_to_RefinedPairsPairScore(o):
784 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
785 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
787 _object_types.append(
"RestraintsScoringFunction")
790 def _object_cast_to_RestraintsScoringFunction(o):
791 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
792 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
794 _object_types.append(
"RigidBodyDistancePairScore")
797 def _object_cast_to_RigidBodyDistancePairScore(o):
798 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
799 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
801 _object_types.append(
"RigidBodyAnglePairScore")
804 def _object_cast_to_RigidBodyAnglePairScore(o):
805 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
806 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
808 _object_types.append(
"RigidBodyMover")
811 def _object_cast_to_RigidBodyMover(o):
812 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
813 return _IMP_core._object_cast_to_RigidBodyMover(o)
815 _object_types.append(
"RigidBodyTunneler")
818 def _object_cast_to_RigidBodyTunneler(o):
819 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
820 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
822 _object_types.append(
"RigidBodyUmbrella")
825 def _object_cast_to_RigidBodyUmbrella(o):
826 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
827 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
829 _object_types.append(
"_UpdateRigidBodyMembers")
832 def _object_cast_to__UpdateRigidBodyMembers(o):
833 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
834 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
836 _object_types.append(
"_AccumulateRigidBodyDerivatives")
839 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
840 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
841 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
843 _object_types.append(
"_RigidBodyNormalizeConstraint")
846 def _object_cast_to__RigidBodyNormalizeConstraint(o):
847 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
848 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
850 _object_types.append(
"_NormalizeRotation")
853 def _object_cast_to__NormalizeRotation(o):
854 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
855 return _IMP_core._object_cast_to__NormalizeRotation(o)
857 _object_types.append(
"_RigidBodyPositionConstraint")
860 def _object_cast_to__RigidBodyPositionConstraint(o):
861 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
864 _object_types.append(
"RigidClosePairsFinder")
867 def _object_cast_to_RigidClosePairsFinder(o):
868 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
869 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
871 _object_types.append(
"RigidMembersRefiner")
874 def _object_cast_to_RigidMembersRefiner(o):
875 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
876 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
878 _object_types.append(
"SingletonConstraint")
881 def _object_cast_to_SingletonConstraint(o):
882 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
883 return _IMP_core._object_cast_to_SingletonConstraint(o)
885 _object_types.append(
"SingletonRestraint")
888 def _object_cast_to_SingletonRestraint(o):
889 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
890 return _IMP_core._object_cast_to_SingletonRestraint(o)
892 _object_types.append(
"SoftSpherePairScore")
895 def _object_cast_to_SoftSpherePairScore(o):
896 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
897 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
899 _object_types.append(
"_SphereDistancePairScore")
902 def _object_cast_to__SphereDistancePairScore(o):
903 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
904 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
906 _object_types.append(
"SphereDistanceToSingletonScore")
909 def _object_cast_to_SphereDistanceToSingletonScore(o):
910 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
911 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
913 _object_types.append(
"SoftSubSurfacePairScore")
916 def _object_cast_to_SoftSubSurfacePairScore(o):
917 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
918 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
920 _object_types.append(
"SoftSuperSurfacePairScore")
923 def _object_cast_to_SoftSuperSurfacePairScore(o):
924 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
925 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
927 _object_types.append(
"SurfaceDistancePairScore")
930 def _object_cast_to_SurfaceDistancePairScore(o):
931 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
932 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
934 _object_types.append(
"SurfaceHeightPairScore")
937 def _object_cast_to_SurfaceHeightPairScore(o):
938 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
939 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
941 _object_types.append(
"SurfaceDepthPairScore")
944 def _object_cast_to_SurfaceDepthPairScore(o):
945 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
946 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
948 _object_types.append(
"SurfaceTetheredChain")
951 def _object_cast_to_SurfaceTetheredChain(o):
952 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
953 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
955 _object_types.append(
"SurfaceSymmetryConstraint")
958 def _object_cast_to_SurfaceSymmetryConstraint(o):
959 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
960 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
962 _object_types.append(
"SteepestDescent")
965 def _object_cast_to_SteepestDescent(o):
966 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
967 return _IMP_core._object_cast_to_SteepestDescent(o)
969 _object_types.append(
"TableRefiner")
972 def _object_cast_to_TableRefiner(o):
973 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
974 return _IMP_core._object_cast_to_TableRefiner(o)
976 _object_types.append(
"Transform")
979 def _object_cast_to_Transform(o):
980 r"""_object_cast_to_Transform(Object o) -> Transform"""
981 return _IMP_core._object_cast_to_Transform(o)
983 _object_types.append(
"TransformationAndReflectionSymmetry")
986 def _object_cast_to_TransformationAndReflectionSymmetry(o):
987 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
988 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
990 _object_types.append(
"TransformationSymmetry")
993 def _object_cast_to_TransformationSymmetry(o):
994 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
995 return _IMP_core._object_cast_to_TransformationSymmetry(o)
997 _object_types.append(
"TransformationSymmetryMover")
1000 def _object_cast_to_TransformationSymmetryMover(o):
1001 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1002 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1004 _object_types.append(
"TransformedDistancePairScore")
1007 def _object_cast_to_TransformedDistancePairScore(o):
1008 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1009 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1011 _object_types.append(
"TripletConstraint")
1014 def _object_cast_to_TripletConstraint(o):
1015 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1016 return _IMP_core._object_cast_to_TripletConstraint(o)
1018 _object_types.append(
"TripletRestraint")
1021 def _object_cast_to_TripletRestraint(o):
1022 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1023 return _IMP_core._object_cast_to_TripletRestraint(o)
1025 _object_types.append(
"TypedPairScore")
1028 def _object_cast_to_TypedPairScore(o):
1029 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1030 return _IMP_core._object_cast_to_TypedPairScore(o)
1032 _object_types.append(
"VolumeRestraint")
1035 def _object_cast_to_VolumeRestraint(o):
1036 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1037 return _IMP_core._object_cast_to_VolumeRestraint(o)
1039 _object_types.append(
"WeightedSphereDistancePairScore")
1042 def _object_cast_to_WeightedSphereDistancePairScore(o):
1043 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1044 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1046 _object_types.append(
"MoveStatisticsScoreState")
1049 def _object_cast_to_MoveStatisticsScoreState(o):
1050 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1051 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1053 _object_types.append(
"MinimumRestraint")
1056 def _object_cast_to_MinimumRestraint(o):
1057 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1058 return _IMP_core._object_cast_to_MinimumRestraint(o)
1060 _object_types.append(
"WriteRestraintScoresOptimizerState")
1063 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1064 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1065 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1067 _object_types.append(
"LateralSurfaceConstraint")
1070 def _object_cast_to_LateralSurfaceConstraint(o):
1071 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1072 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1074 _object_types.append(
"ConstantSingletonPredicate")
1077 def _object_cast_to_ConstantSingletonPredicate(o):
1078 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1079 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1081 _object_types.append(
"ConstantPairPredicate")
1084 def _object_cast_to_ConstantPairPredicate(o):
1085 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1086 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1088 _object_types.append(
"ConstantTripletPredicate")
1091 def _object_cast_to_ConstantTripletPredicate(o):
1092 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1093 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1095 _object_types.append(
"ConstantQuadPredicate")
1098 def _object_cast_to_ConstantQuadPredicate(o):
1099 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1100 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1102 _object_types.append(
"CoinFlipSingletonPredicate")
1105 def _object_cast_to_CoinFlipSingletonPredicate(o):
1106 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1107 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1109 _object_types.append(
"CoinFlipPairPredicate")
1112 def _object_cast_to_CoinFlipPairPredicate(o):
1113 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1114 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1116 _object_types.append(
"CoinFlipTripletPredicate")
1119 def _object_cast_to_CoinFlipTripletPredicate(o):
1120 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1123 _object_types.append(
"CoinFlipQuadPredicate")
1126 def _object_cast_to_CoinFlipQuadPredicate(o):
1127 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1130 _object_types.append(
"UnorderedTypeSingletonPredicate")
1133 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1134 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1135 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1137 _object_types.append(
"UnorderedTypePairPredicate")
1140 def _object_cast_to_UnorderedTypePairPredicate(o):
1141 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1142 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1144 _object_types.append(
"UnorderedTypeTripletPredicate")
1147 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1151 _object_types.append(
"UnorderedTypeQuadPredicate")
1154 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1155 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1158 _object_types.append(
"OrderedTypeSingletonPredicate")
1161 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1162 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1163 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1165 _object_types.append(
"OrderedTypePairPredicate")
1168 def _object_cast_to_OrderedTypePairPredicate(o):
1169 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1170 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1172 _object_types.append(
"OrderedTypeTripletPredicate")
1175 def _object_cast_to_OrderedTypeTripletPredicate(o):
1176 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1179 _object_types.append(
"OrderedTypeQuadPredicate")
1182 def _object_cast_to_OrderedTypeQuadPredicate(o):
1183 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1186 _object_types.append(
"AllSameSingletonPredicate")
1189 def _object_cast_to_AllSameSingletonPredicate(o):
1190 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1191 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1193 _object_types.append(
"AllSamePairPredicate")
1196 def _object_cast_to_AllSamePairPredicate(o):
1197 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1198 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1200 _object_types.append(
"AllSameTripletPredicate")
1203 def _object_cast_to_AllSameTripletPredicate(o):
1204 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1205 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1207 _object_types.append(
"AllSameQuadPredicate")
1210 def _object_cast_to_AllSameQuadPredicate(o):
1211 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1212 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1215 return [XYZ(x)
for x
in l]
1216 _plural_types.append(
"XYZs")
1219 _value_types.append(
"XYZ")
1223 return [XYZR(x)
for x
in l]
1224 _plural_types.append(
"XYZRs")
1227 _value_types.append(
"XYZR")
1230 def RigidBodies(l=[]):
1231 return [RigidBody(x)
for x
in l]
1232 _plural_types.append(
"RigidBodies")
1235 _value_types.append(
"RigidBody")
1238 def RigidBodyMembers(l=[]):
1239 return [RigidBodyMember(x)
for x
in l]
1240 _plural_types.append(
"RigidBodyMembers")
1243 _value_types.append(
"RigidBodyMember")
1246 def RigidMembers(l=[]):
1247 return [RigidMember(x)
for x
in l]
1248 _plural_types.append(
"RigidMembers")
1251 _value_types.append(
"RigidMember")
1254 def NonRigidMembers(l=[]):
1255 return [NonRigidMember(x)
for x
in l]
1256 _plural_types.append(
"NonRigidMembers")
1259 _value_types.append(
"NonRigidMember")
1262 def Centroids(l=[]):
1263 return [Centroid(x)
for x
in l]
1264 _plural_types.append(
"Centroids")
1267 _value_types.append(
"Centroid")
1271 return [Cover(x)
for x
in l]
1272 _plural_types.append(
"Covers")
1275 _value_types.append(
"Cover")
1278 def References(l=[]):
1279 return [Reference(x)
for x
in l]
1280 _plural_types.append(
"References")
1283 _value_types.append(
"Reference")
1287 _plural_types.append(
"ParticleTypes")
1288 _value_types.append(
"ParticleType")
1292 return [Typed(x)
for x
in l]
1293 _plural_types.append(
"Typeds")
1296 _value_types.append(
"Typed")
1299 def GenericHierarchies(l=[]):
1300 return [Hierarchy(x)
for x
in l]
1301 _plural_types.append(
"GenericHierarchies")
1304 _value_types.append(
"Hierarchy")
1307 def Gaussians(l=[]):
1308 return [Gaussian(x)
for x
in l]
1309 _plural_types.append(
"Gaussians")
1312 _value_types.append(
"Gaussian")
1315 def Directions(l=[]):
1316 return [Direction(x)
for x
in l]
1317 _plural_types.append(
"Directions")
1320 _value_types.append(
"Direction")
1323 def DirectionAngles(l=[]):
1324 return [DirectionAngle(x)
for x
in l]
1325 _plural_types.append(
"DirectionAngles")
1328 _value_types.append(
"DirectionAngle")
1332 return [Surface(x)
for x
in l]
1333 _plural_types.append(
"Surfaces")
1336 _value_types.append(
"Surface")
1339 def Provenances(l=[]):
1340 return [Provenance(x)
for x
in l]
1341 _plural_types.append(
"Provenances")
1344 _value_types.append(
"Provenance")
1347 def StructureProvenances(l=[]):
1348 return [StructureProvenance(x)
for x
in l]
1349 _plural_types.append(
"StructureProvenances")
1352 _value_types.append(
"StructureProvenance")
1355 def SampleProvenances(l=[]):
1356 return [SampleProvenance(x)
for x
in l]
1357 _plural_types.append(
"SampleProvenances")
1360 _value_types.append(
"SampleProvenance")
1363 def ClusterProvenances(l=[]):
1364 return [ClusterProvenance(x)
for x
in l]
1365 _plural_types.append(
"ClusterProvenances")
1368 _value_types.append(
"ClusterProvenance")
1371 def CombineProvenances(l=[]):
1372 return [CombineProvenance(x)
for x
in l]
1373 _plural_types.append(
"CombineProvenances")
1376 _value_types.append(
"CombineProvenance")
1379 def FilterProvenances(l=[]):
1380 return [FilterProvenance(x)
for x
in l]
1381 _plural_types.append(
"FilterProvenances")
1384 _value_types.append(
"FilterProvenance")
1387 def ScriptProvenances(l=[]):
1388 return [ScriptProvenance(x)
for x
in l]
1389 _plural_types.append(
"ScriptProvenances")
1392 _value_types.append(
"ScriptProvenance")
1395 def SoftwareProvenances(l=[]):
1396 return [SoftwareProvenance(x)
for x
in l]
1397 _plural_types.append(
"SoftwareProvenances")
1400 _value_types.append(
"SoftwareProvenance")
1403 def Provenanceds(l=[]):
1404 return [Provenanced(x)
for x
in l]
1405 _plural_types.append(
"Provenanceds")
1408 _value_types.append(
"Provenanced")
1411 HierarchyCounters=list
1412 _plural_types.append(
"HierarchyCounters")
1413 _value_types.append(
"HierarchyCounter")
1416 HierarchyTraitsList=list
1417 _plural_types.append(
"HierarchyTraitsList")
1418 _value_types.append(
"HierarchyTraits")
1421 _object_types.append(
"TruncatedHarmonicBound")
1424 def _object_cast_to_TruncatedHarmonicBound(o):
1425 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1426 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1428 _object_types.append(
"TruncatedHarmonicLowerBound")
1431 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1432 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1433 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1435 _object_types.append(
"TruncatedHarmonicUpperBound")
1438 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1442 _object_types.append(
"HarmonicDistancePairScore")
1445 def _object_cast_to_HarmonicDistancePairScore(o):
1446 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1447 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1449 _object_types.append(
"DistancePairScore")
1452 def _object_cast_to_DistancePairScore(o):
1453 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1454 return _IMP_core._object_cast_to_DistancePairScore(o)
1456 _object_types.append(
"XYZRGeometry")
1459 def _object_cast_to_XYZRGeometry(o):
1460 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1461 return _IMP_core._object_cast_to_XYZRGeometry(o)
1463 _object_types.append(
"XYZRsGeometry")
1466 def _object_cast_to_XYZRsGeometry(o):
1467 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1468 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1470 _object_types.append(
"XYZDerivativeGeometry")
1473 def _object_cast_to_XYZDerivativeGeometry(o):
1474 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1475 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1477 _object_types.append(
"XYZDerivativesGeometry")
1480 def _object_cast_to_XYZDerivativesGeometry(o):
1481 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1482 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1484 _object_types.append(
"RigidBodyDerivativeGeometry")
1487 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1488 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1491 _object_types.append(
"RigidBodyDerivativesGeometry")
1494 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1495 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyHierarchyGeometry")
1501 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1502 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1505 _object_types.append(
"RigidBodyFrameGeometry")
1508 def _object_cast_to_RigidBodyFrameGeometry(o):
1509 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1512 _object_types.append(
"RigidBodyFramesGeometry")
1515 def _object_cast_to_RigidBodyFramesGeometry(o):
1516 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1519 _object_types.append(
"RigidBodyTorque")
1522 def _object_cast_to_RigidBodyTorque(o):
1523 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1524 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1526 _object_types.append(
"EdgePairGeometry")
1529 def _object_cast_to_EdgePairGeometry(o):
1530 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1531 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1533 _object_types.append(
"EdgePairsGeometry")
1536 def _object_cast_to_EdgePairsGeometry(o):
1537 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1538 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1540 _object_types.append(
"SurfaceGeometry")
1543 def _object_cast_to_SurfaceGeometry(o):
1544 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1545 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1547 _object_types.append(
"SurfaceGeometryConstraint")
1550 def _object_cast_to_SurfaceGeometryConstraint(o):
1551 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1552 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1554 _object_types.append(
"AttributeSingletonPredicate")
1557 def _object_cast_to_AttributeSingletonPredicate(o):
1558 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1559 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1561 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1564 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1565 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1566 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1568 _object_types.append(
"IsCollisionPairPredicate")
1571 def _object_cast_to_IsCollisionPairPredicate(o):
1572 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1573 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1575 BinormalTermList=list
1576 _plural_types.append(
"BinormalTermList")
1577 _value_types.append(
"BinormalTerm")
1580 _object_types.append(
"MultipleBinormalRestraint")
1583 def _object_cast_to_MultipleBinormalRestraint(o):
1584 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1585 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1586 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1587 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1591 def __init__(self, *args, **kwargs):
1592 raise AttributeError(
"No constructor defined - class is abstract")
1593 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1595 def get_close_pairs(self, *args):
1597 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1598 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1599 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1600 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1602 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1604 def set_distance(self, d):
1605 r"""set_distance(ClosePairsFinder self, double d)"""
1606 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1609 r"""get_distance(ClosePairsFinder self) -> double"""
1610 return _IMP_core.ClosePairsFinder_get_distance(self)
1611 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)
1612 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1613 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1614 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1616 def remove_pair_filter(self, d):
1617 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1618 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1620 def _python_index_pair_filter(self, d, start, stop):
1621 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1622 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1624 def remove_pair_filters(self, d):
1625 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1626 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1628 def set_pair_filters(self, ps):
1629 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1630 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1632 def set_pair_filters_order(self, objs):
1633 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1634 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1636 def add_pair_filter(self, obj):
1637 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1638 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1640 def add_pair_filters(self, objs):
1641 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1642 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1644 def clear_pair_filters(self):
1645 r"""clear_pair_filters(ClosePairsFinder self)"""
1646 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1648 def get_number_of_pair_filters(self):
1649 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1650 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1652 def get_has_pair_filters(self):
1653 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1654 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1656 def get_pair_filter(self, i):
1657 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1658 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1660 def get_pair_filters(self):
1661 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1662 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1664 def erase_pair_filter(self, i):
1665 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1666 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1668 def reserve_pair_filters(self, sz):
1669 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1670 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1673 r"""__str__(ClosePairsFinder self) -> std::string"""
1674 return _IMP_core.ClosePairsFinder___str__(self)
1677 r"""__repr__(ClosePairsFinder self) -> std::string"""
1678 return _IMP_core.ClosePairsFinder___repr__(self)
1682 return _object_cast_to_ClosePairsFinder(o)
1686 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1687 class MonteCarloMoverResult(IMP._Value):
1688 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1692 def __init__(self, *args):
1693 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1694 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1697 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1698 return _IMP_core.MonteCarloMoverResult___hash__(self)
1700 def show(self, *args):
1701 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1702 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1704 def __cmp__(self, o):
1705 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1706 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1708 def __eq__(self, o):
1709 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1710 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1712 def __ne__(self, o):
1713 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1714 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1716 def __lt__(self, o):
1717 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1718 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1720 def __gt__(self, o):
1721 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1722 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1724 def __ge__(self, o):
1725 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1726 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1728 def __le__(self, o):
1729 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1730 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1732 def get_moved_particles(self):
1733 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1734 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1736 def set_moved_particles(self, v):
1737 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1738 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1740 def get_proposal_ratio(self):
1741 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1742 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1744 def set_proposal_ratio(self, v):
1745 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1746 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1749 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1750 return _IMP_core.MonteCarloMoverResult___str__(self)
1753 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1754 return _IMP_core.MonteCarloMoverResult___repr__(self)
1755 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1758 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1760 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1764 def __init__(self, *args):
1766 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1767 __init__(MonteCarloMover self) -> MonteCarloMover
1769 if self.__class__ == MonteCarloMover:
1773 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1775 if self.__class__ != MonteCarloMover:
1776 _director_objects.register(self)
1782 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1783 return _IMP_core.MonteCarloMover_propose(self)
1786 r"""reject(MonteCarloMover self)"""
1787 return _IMP_core.MonteCarloMover_reject(self)
1790 r"""accept(MonteCarloMover self)"""
1791 return _IMP_core.MonteCarloMover_accept(self)
1793 def get_number_of_proposed(self):
1794 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1795 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1797 def get_number_of_accepted(self):
1798 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1799 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1801 def reset_statistics(self):
1802 r"""reset_statistics(MonteCarloMover self)"""
1803 return _IMP_core.MonteCarloMover_reset_statistics(self)
1805 def add_to_statistics(self, num_proposed, num_rejected):
1806 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1807 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1809 def do_propose(self):
1810 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1811 return _IMP_core.MonteCarloMover_do_propose(self)
1813 def do_reject(self):
1814 r"""do_reject(MonteCarloMover self)"""
1815 return _IMP_core.MonteCarloMover_do_reject(self)
1817 def do_accept(self):
1818 r"""do_accept(MonteCarloMover self)"""
1819 return _IMP_core.MonteCarloMover_do_accept(self)
1821 def do_get_outputs(self):
1822 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1823 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1826 r"""__str__(MonteCarloMover self) -> std::string"""
1827 return _IMP_core.MonteCarloMover___str__(self)
1830 r"""__repr__(MonteCarloMover self) -> std::string"""
1831 return _IMP_core.MonteCarloMover___repr__(self)
1835 return _object_cast_to_MonteCarloMover(o)
1838 def do_show(self, out):
1843 return _object_cast_to_MonteCarloMover(o)
1846 def _get_jax(self, space):
1847 """Return a JAX implementation of this mover.
1848 Implement this method in a MonteCarloMover subclass to provide
1849 equivalent functionality using [JAX](https://docs.jax.dev/).
1850 See _wrap_jax for more information.
1852 @param space The space in which the mover operates
1853 (e.g. a periodic box). See IMP._jax_util.Space.
1855 raise NotImplementedError(f
"No JAX implementation for {self}")
1857 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1858 sync_func=
None, reset_stats_func=
None, keys=
None):
1859 """Create the return value for _get_jax.
1860 Use this method in _get_jax() to wrap the JAX functions
1861 with other mover-specific information.
1863 @param init_func a JAX function which is used to initialize this
1864 mover. It is called with a single argument, a fresh JAX
1865 random key, and should return a persistent state object.
1866 This object may be the key itself, or any other Python object
1867 that JAX understands.
1868 @param propose_func a JAX function which is called with the current
1869 JAX Model and the mover's persistent state object.
1870 It should return a new JAX Model with the move applied,
1871 a new persistent state, and the proposal ratio. If the move
1872 is rejected then the new JAX Model will be discarded.
1873 However, the mover's persistent state is updated for both
1874 accepted and rejected moves.
1875 @param accept_func if provided, a JAX function which is called
1876 after each accepted Monte Carlo move, with the persistent
1877 state object. It should return a new persistent state.
1878 @param sync_func If provided, a Python function which is called
1879 at the end of a Monte Carlo sampling run to sync mover
1880 data back to IMP. It is called with the persistent state
1881 and the IMP Mover object.
1882 @param reset_stats_func If provided, a JAX function which is called
1883 at the beginning of a Monte Carlo run to reset this mover's
1884 statistics. It is called with the persistent state object and
1885 should return a new state.
1886 @param keys If given, a set of IMP::Key objects describing Model
1887 attributes (other than xyz and radius) that are altered
1890 from IMP.core._jax_util
import JAXMoverInfo
1891 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1892 reset_stats_func, keys)
1894 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1895 def __disown__(self):
1897 _IMP_core.disown_MonteCarloMover(self)
1898 return weakref.proxy(self)
1900 def do_destroy(self):
1901 r"""do_destroy(MonteCarloMover self)"""
1902 return _IMP_core.MonteCarloMover_do_destroy(self)
1904 def handle_set_has_required_score_states(self, arg0):
1905 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1906 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1908 def do_get_inputs(self):
1909 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1910 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1912 def do_get_interactions(self):
1913 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1914 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1917 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1919 r"""Proxy of C++ IMP::core::XYZ class."""
1921 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1924 def get_coordinate_key(i):
1925 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1926 return _IMP_core.XYZ_get_coordinate_key(i)
1928 def __init__(self, *args):
1930 __init__(XYZ self) -> XYZ
1931 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1932 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1934 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1936 def show(self, *args):
1937 r"""show(XYZ self, _ostream out=std::cout)"""
1938 return _IMP_core.XYZ_show(self, *args)
1941 def setup_particle(*args):
1943 setup_particle(Model m, ParticleIndex pi) -> XYZ
1944 setup_particle(_ParticleAdaptor pa) -> XYZ
1945 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1946 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1948 return _IMP_core.XYZ_setup_particle(*args)
1951 r"""get_x(XYZ self) -> IMP::Float"""
1952 return _IMP_core.XYZ_get_x(self)
1955 r"""set_x(XYZ self, IMP::Float t)"""
1956 return _IMP_core.XYZ_set_x(self, t)
1959 r"""get_y(XYZ self) -> IMP::Float"""
1960 return _IMP_core.XYZ_get_y(self)
1963 r"""set_y(XYZ self, IMP::Float t)"""
1964 return _IMP_core.XYZ_set_y(self, t)
1967 r"""get_z(XYZ self) -> IMP::Float"""
1968 return _IMP_core.XYZ_get_z(self)
1971 r"""set_z(XYZ self, IMP::Float t)"""
1972 return _IMP_core.XYZ_set_z(self, t)
1974 def set_coordinate(self, i, v):
1975 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1976 return _IMP_core.XYZ_set_coordinate(self, i, v)
1978 def set_coordinates(self, v):
1979 r"""set_coordinates(XYZ self, Vector3D v)"""
1980 return _IMP_core.XYZ_set_coordinates(self, v)
1982 def get_coordinate(self, i):
1983 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1984 return _IMP_core.XYZ_get_coordinate(self, i)
1986 def add_to_derivatives(self, v, d):
1987 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1988 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1990 def get_coordinates_are_optimized(self):
1991 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1992 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1994 def set_coordinates_are_optimized(self, tf):
1995 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1996 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1998 def get_vector_to(self, b):
1999 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2000 return _IMP_core.XYZ_get_vector_to(self, b)
2002 def get_coordinates(self):
2003 r"""get_coordinates(XYZ self) -> Vector3D"""
2004 return _IMP_core.XYZ_get_coordinates(self)
2006 def get_derivatives(self):
2007 r"""get_derivatives(XYZ self) -> Vector3D"""
2008 return _IMP_core.XYZ_get_derivatives(self)
2011 def get_is_setup(*args):
2013 get_is_setup(_ParticleAdaptor p) -> bool
2014 get_is_setup(Model m, ParticleIndex pi) -> bool
2016 return _IMP_core.XYZ_get_is_setup(*args)
2020 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2021 return _IMP_core.XYZ_get_xyz_keys()
2023 def add_attribute(self, *args):
2025 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2026 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2027 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2028 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2029 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2030 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2031 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2032 add_attribute(XYZ self, ObjectKey a0, Object a1)
2033 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2034 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2035 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2036 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2038 return _IMP_core.XYZ_add_attribute(self, *args)
2040 def get_value(self, *args):
2042 get_value(XYZ self, FloatKey a0) -> IMP::Float
2043 get_value(XYZ self, IntKey a0) -> IMP::Int
2044 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2045 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2046 get_value(XYZ self, StringKey a0) -> IMP::String
2047 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2048 get_value(XYZ self, ObjectKey a0) -> Object
2049 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2050 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2051 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2052 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2054 return _IMP_core.XYZ_get_value(self, *args)
2056 def set_value(self, *args):
2058 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2059 set_value(XYZ self, IntKey a0, IMP::Int a1)
2060 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2061 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2062 set_value(XYZ self, StringKey a0, IMP::String a1)
2063 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2064 set_value(XYZ self, ObjectKey a0, Object a1)
2065 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2066 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2067 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2068 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2070 return _IMP_core.XYZ_set_value(self, *args)
2072 def remove_attribute(self, *args):
2074 remove_attribute(XYZ self, FloatKey a0)
2075 remove_attribute(XYZ self, IntKey a0)
2076 remove_attribute(XYZ self, FloatsKey a0)
2077 remove_attribute(XYZ self, IntsKey a0)
2078 remove_attribute(XYZ self, StringKey a0)
2079 remove_attribute(XYZ self, ParticleIndexKey a0)
2080 remove_attribute(XYZ self, ObjectKey a0)
2081 remove_attribute(XYZ self, SparseFloatKey a0)
2082 remove_attribute(XYZ self, SparseIntKey a0)
2083 remove_attribute(XYZ self, SparseStringKey a0)
2084 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2086 return _IMP_core.XYZ_remove_attribute(self, *args)
2088 def has_attribute(self, *args):
2090 has_attribute(XYZ self, FloatKey a0) -> bool
2091 has_attribute(XYZ self, IntKey a0) -> bool
2092 has_attribute(XYZ self, FloatsKey a0) -> bool
2093 has_attribute(XYZ self, IntsKey a0) -> bool
2094 has_attribute(XYZ self, StringKey a0) -> bool
2095 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2096 has_attribute(XYZ self, ObjectKey a0) -> bool
2097 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2098 has_attribute(XYZ self, SparseIntKey a0) -> bool
2099 has_attribute(XYZ self, SparseStringKey a0) -> bool
2100 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2102 return _IMP_core.XYZ_has_attribute(self, *args)
2104 def get_derivative(self, *args):
2106 get_derivative(XYZ self, int i) -> IMP::Float
2107 get_derivative(XYZ self, FloatKey a0) -> double
2109 return _IMP_core.XYZ_get_derivative(self, *args)
2112 r"""get_name(XYZ self) -> std::string"""
2113 return _IMP_core.XYZ_get_name(self)
2115 def clear_caches(self):
2116 r"""clear_caches(XYZ self)"""
2117 return _IMP_core.XYZ_clear_caches(self)
2119 def set_name(self, a0):
2120 r"""set_name(XYZ self, std::string a0)"""
2121 return _IMP_core.XYZ_set_name(self, a0)
2124 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2125 return _IMP_core.XYZ_set_check_level(self, a0)
2127 def add_to_derivative(self, *args):
2129 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2130 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2132 return _IMP_core.XYZ_add_to_derivative(self, *args)
2134 def set_is_optimized(self, a0, a1):
2135 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2136 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2138 def get_is_optimized(self, a0):
2139 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2140 return _IMP_core.XYZ_get_is_optimized(self, a0)
2143 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2144 return _IMP_core.XYZ_get_check_level(self)
2146 def __eq__(self, *args):
2148 __eq__(XYZ self, XYZ o) -> bool
2149 __eq__(XYZ self, Particle d) -> bool
2151 return _IMP_core.XYZ___eq__(self, *args)
2153 def __ne__(self, *args):
2155 __ne__(XYZ self, XYZ o) -> bool
2156 __ne__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___ne__(self, *args)
2160 def __le__(self, *args):
2162 __le__(XYZ self, XYZ o) -> bool
2163 __le__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___le__(self, *args)
2167 def __lt__(self, *args):
2169 __lt__(XYZ self, XYZ o) -> bool
2170 __lt__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___lt__(self, *args)
2174 def __ge__(self, *args):
2176 __ge__(XYZ self, XYZ o) -> bool
2177 __ge__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___ge__(self, *args)
2181 def __gt__(self, *args):
2183 __gt__(XYZ self, XYZ o) -> bool
2184 __gt__(XYZ self, Particle d) -> bool
2186 return _IMP_core.XYZ___gt__(self, *args)
2189 r"""__hash__(XYZ self) -> std::size_t"""
2190 return _IMP_core.XYZ___hash__(self)
2193 r"""__str__(XYZ self) -> std::string"""
2194 return _IMP_core.XYZ___str__(self)
2197 r"""__repr__(XYZ self) -> std::string"""
2198 return _IMP_core.XYZ___repr__(self)
2200 def _get_as_binary(self):
2201 r"""_get_as_binary(XYZ self) -> PyObject *"""
2202 return _IMP_core.XYZ__get_as_binary(self)
2204 def _set_from_binary(self, p):
2205 r"""_set_from_binary(XYZ self, PyObject * p)"""
2206 return _IMP_core.XYZ__set_from_binary(self, p)
2208 def __getstate__(self):
2209 p = self._get_as_binary()
2210 if len(self.__dict__) > 1:
2211 d = self.__dict__.copy()
2216 def __setstate__(self, p):
2217 if not hasattr(self,
'this'):
2219 if isinstance(p, tuple):
2221 self.__dict__.update(d)
2222 return self._set_from_binary(p)
2224 __swig_destroy__ = _IMP_core.delete_XYZ
2227 _IMP_core.XYZ_swigregister(XYZ)
2230 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2231 return _IMP_core.set_vector_geometry(d, v)
2234 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2235 return _IMP_core.get_vector_geometry(d)
2238 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2239 return _IMP_core.get_dihedral(a, b, c, d)
2241 r"""Proxy of C++ IMP::core::XYZR class."""
2243 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2245 def __init__(self, *args):
2247 __init__(XYZR self) -> XYZR
2248 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2249 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2251 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2253 def show(self, *args):
2254 r"""show(XYZR self, _ostream out=std::cout)"""
2255 return _IMP_core.XYZR_show(self, *args)
2258 def setup_particle(*args):
2260 setup_particle(Model m, ParticleIndex pi) -> XYZR
2261 setup_particle(_ParticleAdaptor pa) -> XYZR
2262 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2263 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2264 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2265 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2267 return _IMP_core.XYZR_setup_particle(*args)
2270 def get_is_setup(*args):
2272 get_is_setup(_ParticleAdaptor p) -> bool
2273 get_is_setup(Model m, ParticleIndex pi) -> bool
2275 return _IMP_core.XYZR_get_is_setup(*args)
2277 def get_radius(self):
2278 r"""get_radius(XYZR self) -> double"""
2279 return _IMP_core.XYZR_get_radius(self)
2281 def set_radius(self, r):
2282 r"""set_radius(XYZR self, double r)"""
2283 return _IMP_core.XYZR_set_radius(self, r)
2285 def get_sphere(self):
2286 r"""get_sphere(XYZR self) -> Sphere3D"""
2287 return _IMP_core.XYZR_get_sphere(self)
2289 def set_sphere(self, s):
2290 r"""set_sphere(XYZR self, Sphere3D s)"""
2291 return _IMP_core.XYZR_set_sphere(self, s)
2294 def get_radius_key():
2295 r"""get_radius_key() -> FloatKey"""
2296 return _IMP_core.XYZR_get_radius_key()
2298 def add_to_radius_derivative(self, v, d):
2299 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2300 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2302 def add_attribute(self, *args):
2304 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2305 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2306 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2307 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2308 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2309 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2310 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2311 add_attribute(XYZR self, ObjectKey a0, Object a1)
2312 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2313 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2314 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2315 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2317 return _IMP_core.XYZR_add_attribute(self, *args)
2319 def get_value(self, *args):
2321 get_value(XYZR self, FloatKey a0) -> IMP::Float
2322 get_value(XYZR self, IntKey a0) -> IMP::Int
2323 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2324 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2325 get_value(XYZR self, StringKey a0) -> IMP::String
2326 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2327 get_value(XYZR self, ObjectKey a0) -> Object
2328 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2329 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2330 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2331 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2333 return _IMP_core.XYZR_get_value(self, *args)
2335 def set_value(self, *args):
2337 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2338 set_value(XYZR self, IntKey a0, IMP::Int a1)
2339 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2340 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2341 set_value(XYZR self, StringKey a0, IMP::String a1)
2342 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2343 set_value(XYZR self, ObjectKey a0, Object a1)
2344 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2345 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2346 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2347 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2349 return _IMP_core.XYZR_set_value(self, *args)
2351 def remove_attribute(self, *args):
2353 remove_attribute(XYZR self, FloatKey a0)
2354 remove_attribute(XYZR self, IntKey a0)
2355 remove_attribute(XYZR self, FloatsKey a0)
2356 remove_attribute(XYZR self, IntsKey a0)
2357 remove_attribute(XYZR self, StringKey a0)
2358 remove_attribute(XYZR self, ParticleIndexKey a0)
2359 remove_attribute(XYZR self, ObjectKey a0)
2360 remove_attribute(XYZR self, SparseFloatKey a0)
2361 remove_attribute(XYZR self, SparseIntKey a0)
2362 remove_attribute(XYZR self, SparseStringKey a0)
2363 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2365 return _IMP_core.XYZR_remove_attribute(self, *args)
2367 def has_attribute(self, *args):
2369 has_attribute(XYZR self, FloatKey a0) -> bool
2370 has_attribute(XYZR self, IntKey a0) -> bool
2371 has_attribute(XYZR self, FloatsKey a0) -> bool
2372 has_attribute(XYZR self, IntsKey a0) -> bool
2373 has_attribute(XYZR self, StringKey a0) -> bool
2374 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2375 has_attribute(XYZR self, ObjectKey a0) -> bool
2376 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2377 has_attribute(XYZR self, SparseIntKey a0) -> bool
2378 has_attribute(XYZR self, SparseStringKey a0) -> bool
2379 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2381 return _IMP_core.XYZR_has_attribute(self, *args)
2383 def get_derivative(self, a0):
2384 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2385 return _IMP_core.XYZR_get_derivative(self, a0)
2388 r"""get_name(XYZR self) -> std::string"""
2389 return _IMP_core.XYZR_get_name(self)
2391 def clear_caches(self):
2392 r"""clear_caches(XYZR self)"""
2393 return _IMP_core.XYZR_clear_caches(self)
2395 def set_name(self, a0):
2396 r"""set_name(XYZR self, std::string a0)"""
2397 return _IMP_core.XYZR_set_name(self, a0)
2400 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2401 return _IMP_core.XYZR_set_check_level(self, a0)
2403 def add_to_derivative(self, a0, a1, a2):
2404 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2405 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2407 def set_is_optimized(self, a0, a1):
2408 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2409 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2411 def get_is_optimized(self, a0):
2412 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2413 return _IMP_core.XYZR_get_is_optimized(self, a0)
2416 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2417 return _IMP_core.XYZR_get_check_level(self)
2419 def __eq__(self, *args):
2421 __eq__(XYZR self, XYZR o) -> bool
2422 __eq__(XYZR self, Particle d) -> bool
2424 return _IMP_core.XYZR___eq__(self, *args)
2426 def __ne__(self, *args):
2428 __ne__(XYZR self, XYZR o) -> bool
2429 __ne__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___ne__(self, *args)
2433 def __le__(self, *args):
2435 __le__(XYZR self, XYZR o) -> bool
2436 __le__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___le__(self, *args)
2440 def __lt__(self, *args):
2442 __lt__(XYZR self, XYZR o) -> bool
2443 __lt__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___lt__(self, *args)
2447 def __ge__(self, *args):
2449 __ge__(XYZR self, XYZR o) -> bool
2450 __ge__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___ge__(self, *args)
2454 def __gt__(self, *args):
2456 __gt__(XYZR self, XYZR o) -> bool
2457 __gt__(XYZR self, Particle d) -> bool
2459 return _IMP_core.XYZR___gt__(self, *args)
2462 r"""__hash__(XYZR self) -> std::size_t"""
2463 return _IMP_core.XYZR___hash__(self)
2466 r"""__str__(XYZR self) -> std::string"""
2467 return _IMP_core.XYZR___str__(self)
2470 r"""__repr__(XYZR self) -> std::string"""
2471 return _IMP_core.XYZR___repr__(self)
2473 def _get_as_binary(self):
2474 r"""_get_as_binary(XYZR self) -> PyObject *"""
2475 return _IMP_core.XYZR__get_as_binary(self)
2477 def _set_from_binary(self, p):
2478 r"""_set_from_binary(XYZR self, PyObject * p)"""
2479 return _IMP_core.XYZR__set_from_binary(self, p)
2481 def __getstate__(self):
2482 p = self._get_as_binary()
2483 if len(self.__dict__) > 1:
2484 d = self.__dict__.copy()
2489 def __setstate__(self, p):
2490 if not hasattr(self,
'this'):
2492 if isinstance(p, tuple):
2494 self.__dict__.update(d)
2495 return self._set_from_binary(p)
2497 __swig_destroy__ = _IMP_core.delete_XYZR
2500 _IMP_core.XYZR_swigregister(XYZR)
2503 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2504 return _IMP_core.set_enclosing_sphere(b, v, slack)
2507 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2508 return _IMP_core.set_enclosing_radius(b, v)
2511 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2512 return _IMP_core.get_enclosing_sphere(v)
2515 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2516 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2518 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2522 def __init__(self, *args):
2524 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2525 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2527 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2529 def get_version_info(self):
2530 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2531 return _IMP_core.XYZRGeometry_get_version_info(self)
2532 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2535 r"""__str__(XYZRGeometry self) -> std::string"""
2536 return _IMP_core.XYZRGeometry___str__(self)
2539 r"""__repr__(XYZRGeometry self) -> std::string"""
2540 return _IMP_core.XYZRGeometry___repr__(self)
2544 return _object_cast_to_XYZRGeometry(o)
2548 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2550 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2552 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2554 def __init__(self, sc):
2555 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2556 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2558 def get_version_info(self):
2559 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2560 return _IMP_core.XYZRsGeometry_get_version_info(self)
2561 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2564 r"""__str__(XYZRsGeometry self) -> std::string"""
2565 return _IMP_core.XYZRsGeometry___str__(self)
2568 r"""__repr__(XYZRsGeometry self) -> std::string"""
2569 return _IMP_core.XYZRsGeometry___repr__(self)
2573 return _object_cast_to_XYZRsGeometry(o)
2577 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2579 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2581 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2583 def __init__(self, *args):
2585 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2586 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2588 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2590 def get_version_info(self):
2591 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2592 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2593 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2596 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2597 return _IMP_core.XYZDerivativeGeometry___str__(self)
2600 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2601 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2605 return _object_cast_to_XYZDerivativeGeometry(o)
2609 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2611 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2613 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2615 def __init__(self, sc):
2616 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2617 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2619 def get_version_info(self):
2620 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2621 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2622 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2625 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2626 return _IMP_core.XYZDerivativesGeometry___str__(self)
2629 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2630 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2634 return _object_cast_to_XYZDerivativesGeometry(o)
2638 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2640 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2642 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2644 def __init__(self, pp):
2645 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2646 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2648 def get_version_info(self):
2649 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2650 return _IMP_core.EdgePairGeometry_get_version_info(self)
2651 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2654 r"""__str__(EdgePairGeometry self) -> std::string"""
2655 return _IMP_core.EdgePairGeometry___str__(self)
2658 r"""__repr__(EdgePairGeometry self) -> std::string"""
2659 return _IMP_core.EdgePairGeometry___repr__(self)
2663 return _object_cast_to_EdgePairGeometry(o)
2667 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2669 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2671 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2673 def __init__(self, sc):
2674 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2675 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2677 def get_version_info(self):
2678 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2679 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2680 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2683 r"""__str__(EdgePairsGeometry self) -> std::string"""
2684 return _IMP_core.EdgePairsGeometry___str__(self)
2687 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2688 return _IMP_core.EdgePairsGeometry___repr__(self)
2692 return _object_cast_to_EdgePairsGeometry(o)
2696 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2698 r"""Proxy of C++ IMP::core::Direction class."""
2700 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2703 def do_setup_particle(m, pi, v):
2704 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2705 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2707 def __init__(self, *args):
2709 __init__(Direction self) -> Direction
2710 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2711 __init__(Direction self, _ParticleAdaptor d) -> Direction
2713 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2715 def show(self, *args):
2716 r"""show(Direction self, _ostream out=std::cout)"""
2717 return _IMP_core.Direction_show(self, *args)
2720 def setup_particle(*args):
2722 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2723 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2725 return _IMP_core.Direction_setup_particle(*args)
2728 def get_is_setup(*args):
2730 get_is_setup(_ParticleAdaptor p) -> bool
2731 get_is_setup(Model m, ParticleIndex pi) -> bool
2733 return _IMP_core.Direction_get_is_setup(*args)
2736 def get_direction_key(i):
2737 r"""get_direction_key(unsigned int i) -> FloatKey"""
2738 return _IMP_core.Direction_get_direction_key(i)
2740 def get_direction_derivative(self, i):
2741 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2742 return _IMP_core.Direction_get_direction_derivative(self, i)
2744 def get_direction_derivatives(self):
2745 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2746 return _IMP_core.Direction_get_direction_derivatives(self)
2748 def add_to_direction_derivative(self, i, v, d):
2749 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2750 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2752 def add_to_direction_derivatives(self, v, d):
2753 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2754 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2756 def get_direction_is_optimized(self):
2757 r"""get_direction_is_optimized(Direction self) -> bool"""
2758 return _IMP_core.Direction_get_direction_is_optimized(self)
2760 def set_direction_is_optimized(self, tf):
2761 r"""set_direction_is_optimized(Direction self, bool tf)"""
2762 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2764 def get_direction(self):
2765 r"""get_direction(Direction self) -> Vector3D"""
2766 return _IMP_core.Direction_get_direction(self)
2768 def set_direction(self, v):
2769 r"""set_direction(Direction self, Vector3D v)"""
2770 return _IMP_core.Direction_set_direction(self, v)
2773 r"""reflect(Direction self)"""
2774 return _IMP_core.Direction_reflect(self)
2776 def add_attribute(self, *args):
2778 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2779 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2780 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2781 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2782 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2783 add_attribute(Direction self, StringKey a0, IMP::String a1)
2784 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2785 add_attribute(Direction self, ObjectKey a0, Object a1)
2786 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2787 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2788 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2789 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2791 return _IMP_core.Direction_add_attribute(self, *args)
2793 def get_value(self, *args):
2795 get_value(Direction self, FloatKey a0) -> IMP::Float
2796 get_value(Direction self, IntKey a0) -> IMP::Int
2797 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2798 get_value(Direction self, IntsKey a0) -> IMP::Ints
2799 get_value(Direction self, StringKey a0) -> IMP::String
2800 get_value(Direction self, ParticleIndexKey a0) -> Particle
2801 get_value(Direction self, ObjectKey a0) -> Object
2802 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2803 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2804 get_value(Direction self, SparseStringKey a0) -> IMP::String
2805 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2807 return _IMP_core.Direction_get_value(self, *args)
2809 def set_value(self, *args):
2811 set_value(Direction self, FloatKey a0, IMP::Float a1)
2812 set_value(Direction self, IntKey a0, IMP::Int a1)
2813 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2814 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2815 set_value(Direction self, StringKey a0, IMP::String a1)
2816 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2817 set_value(Direction self, ObjectKey a0, Object a1)
2818 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2819 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2820 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2821 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2823 return _IMP_core.Direction_set_value(self, *args)
2825 def remove_attribute(self, *args):
2827 remove_attribute(Direction self, FloatKey a0)
2828 remove_attribute(Direction self, IntKey a0)
2829 remove_attribute(Direction self, FloatsKey a0)
2830 remove_attribute(Direction self, IntsKey a0)
2831 remove_attribute(Direction self, StringKey a0)
2832 remove_attribute(Direction self, ParticleIndexKey a0)
2833 remove_attribute(Direction self, ObjectKey a0)
2834 remove_attribute(Direction self, SparseFloatKey a0)
2835 remove_attribute(Direction self, SparseIntKey a0)
2836 remove_attribute(Direction self, SparseStringKey a0)
2837 remove_attribute(Direction self, SparseParticleIndexKey a0)
2839 return _IMP_core.Direction_remove_attribute(self, *args)
2841 def has_attribute(self, *args):
2843 has_attribute(Direction self, FloatKey a0) -> bool
2844 has_attribute(Direction self, IntKey a0) -> bool
2845 has_attribute(Direction self, FloatsKey a0) -> bool
2846 has_attribute(Direction self, IntsKey a0) -> bool
2847 has_attribute(Direction self, StringKey a0) -> bool
2848 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2849 has_attribute(Direction self, ObjectKey a0) -> bool
2850 has_attribute(Direction self, SparseFloatKey a0) -> bool
2851 has_attribute(Direction self, SparseIntKey a0) -> bool
2852 has_attribute(Direction self, SparseStringKey a0) -> bool
2853 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2855 return _IMP_core.Direction_has_attribute(self, *args)
2857 def get_derivative(self, a0):
2858 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2859 return _IMP_core.Direction_get_derivative(self, a0)
2862 r"""get_name(Direction self) -> std::string"""
2863 return _IMP_core.Direction_get_name(self)
2865 def clear_caches(self):
2866 r"""clear_caches(Direction self)"""
2867 return _IMP_core.Direction_clear_caches(self)
2869 def set_name(self, a0):
2870 r"""set_name(Direction self, std::string a0)"""
2871 return _IMP_core.Direction_set_name(self, a0)
2874 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2875 return _IMP_core.Direction_set_check_level(self, a0)
2877 def add_to_derivative(self, a0, a1, a2):
2878 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2879 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2881 def set_is_optimized(self, a0, a1):
2882 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2883 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2885 def get_is_optimized(self, a0):
2886 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2887 return _IMP_core.Direction_get_is_optimized(self, a0)
2890 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2891 return _IMP_core.Direction_get_check_level(self)
2893 def __eq__(self, *args):
2895 __eq__(Direction self, Direction o) -> bool
2896 __eq__(Direction self, Particle d) -> bool
2898 return _IMP_core.Direction___eq__(self, *args)
2900 def __ne__(self, *args):
2902 __ne__(Direction self, Direction o) -> bool
2903 __ne__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___ne__(self, *args)
2907 def __le__(self, *args):
2909 __le__(Direction self, Direction o) -> bool
2910 __le__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___le__(self, *args)
2914 def __lt__(self, *args):
2916 __lt__(Direction self, Direction o) -> bool
2917 __lt__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___lt__(self, *args)
2921 def __ge__(self, *args):
2923 __ge__(Direction self, Direction o) -> bool
2924 __ge__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___ge__(self, *args)
2928 def __gt__(self, *args):
2930 __gt__(Direction self, Direction o) -> bool
2931 __gt__(Direction self, Particle d) -> bool
2933 return _IMP_core.Direction___gt__(self, *args)
2936 r"""__hash__(Direction self) -> std::size_t"""
2937 return _IMP_core.Direction___hash__(self)
2940 r"""__str__(Direction self) -> std::string"""
2941 return _IMP_core.Direction___str__(self)
2944 r"""__repr__(Direction self) -> std::string"""
2945 return _IMP_core.Direction___repr__(self)
2947 def _get_as_binary(self):
2948 r"""_get_as_binary(Direction self) -> PyObject *"""
2949 return _IMP_core.Direction__get_as_binary(self)
2951 def _set_from_binary(self, p):
2952 r"""_set_from_binary(Direction self, PyObject * p)"""
2953 return _IMP_core.Direction__set_from_binary(self, p)
2955 def __getstate__(self):
2956 p = self._get_as_binary()
2957 if len(self.__dict__) > 1:
2958 d = self.__dict__.copy()
2963 def __setstate__(self, p):
2964 if not hasattr(self,
'this'):
2966 if isinstance(p, tuple):
2968 self.__dict__.update(d)
2969 return self._set_from_binary(p)
2971 __swig_destroy__ = _IMP_core.delete_Direction
2974 _IMP_core.Direction_swigregister(Direction)
2977 r"""get_angle(Direction a, Direction b) -> double"""
2978 return _IMP_core.get_angle(a, b)
2980 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2982 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2984 def __init__(self, *args):
2986 __init__(DirectionAngle self) -> DirectionAngle
2987 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2988 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2990 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2992 def show(self, *args):
2993 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2994 return _IMP_core.DirectionAngle_show(self, *args)
2997 def setup_particle(*args):
2999 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3000 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3001 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3002 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3004 return _IMP_core.DirectionAngle_setup_particle(*args)
3007 def get_is_setup(*args):
3009 get_is_setup(_ParticleAdaptor p) -> bool
3010 get_is_setup(Model m, ParticleIndex pi) -> bool
3012 return _IMP_core.DirectionAngle_get_is_setup(*args)
3015 def get_angle_key():
3016 r"""get_angle_key() -> FloatKey"""
3017 return _IMP_core.DirectionAngle_get_angle_key()
3020 def get_particle_key(i):
3021 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3022 return _IMP_core.DirectionAngle_get_particle_key(i)
3024 def get_particle(self, *args):
3026 get_particle(DirectionAngle self, unsigned int i) -> Particle
3027 get_particle(DirectionAngle self) -> Particle
3029 return _IMP_core.DirectionAngle_get_particle(self, *args)
3031 def get_particle_index(self, *args):
3033 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3034 get_particle_index(DirectionAngle self) -> ParticleIndex
3036 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3039 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3040 return _IMP_core.DirectionAngle_get_angle(self)
3042 def get_angle_derivative(self):
3043 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3044 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3046 def add_to_angle_derivative(self, v, d):
3047 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3048 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3050 def add_attribute(self, *args):
3052 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3053 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3054 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3055 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3056 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3057 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3058 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3059 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3060 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3061 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3062 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3063 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3065 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3067 def get_value(self, *args):
3069 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3070 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3071 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3072 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3073 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3074 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3075 get_value(DirectionAngle self, ObjectKey a0) -> Object
3076 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3077 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3078 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3079 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3081 return _IMP_core.DirectionAngle_get_value(self, *args)
3083 def set_value(self, *args):
3085 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3086 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3087 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3088 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3089 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3090 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3091 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3092 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3093 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3094 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3095 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3097 return _IMP_core.DirectionAngle_set_value(self, *args)
3099 def remove_attribute(self, *args):
3101 remove_attribute(DirectionAngle self, FloatKey a0)
3102 remove_attribute(DirectionAngle self, IntKey a0)
3103 remove_attribute(DirectionAngle self, FloatsKey a0)
3104 remove_attribute(DirectionAngle self, IntsKey a0)
3105 remove_attribute(DirectionAngle self, StringKey a0)
3106 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3107 remove_attribute(DirectionAngle self, ObjectKey a0)
3108 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3109 remove_attribute(DirectionAngle self, SparseIntKey a0)
3110 remove_attribute(DirectionAngle self, SparseStringKey a0)
3111 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3113 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3115 def has_attribute(self, *args):
3117 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3118 has_attribute(DirectionAngle self, IntKey a0) -> bool
3119 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3120 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3121 has_attribute(DirectionAngle self, StringKey a0) -> bool
3122 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3123 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3124 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3125 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3126 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3127 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3129 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3131 def get_derivative(self, a0):
3132 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3133 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3136 r"""get_name(DirectionAngle self) -> std::string"""
3137 return _IMP_core.DirectionAngle_get_name(self)
3139 def clear_caches(self):
3140 r"""clear_caches(DirectionAngle self)"""
3141 return _IMP_core.DirectionAngle_clear_caches(self)
3143 def set_name(self, a0):
3144 r"""set_name(DirectionAngle self, std::string a0)"""
3145 return _IMP_core.DirectionAngle_set_name(self, a0)
3148 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3149 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3151 def add_to_derivative(self, a0, a1, a2):
3152 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3153 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3155 def set_is_optimized(self, a0, a1):
3156 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3157 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3159 def get_is_optimized(self, a0):
3160 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3161 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3164 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3165 return _IMP_core.DirectionAngle_get_check_level(self)
3167 def __eq__(self, *args):
3169 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3170 __eq__(DirectionAngle self, Particle d) -> bool
3172 return _IMP_core.DirectionAngle___eq__(self, *args)
3174 def __ne__(self, *args):
3176 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3177 __ne__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___ne__(self, *args)
3181 def __le__(self, *args):
3183 __le__(DirectionAngle self, DirectionAngle o) -> bool
3184 __le__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___le__(self, *args)
3188 def __lt__(self, *args):
3190 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3191 __lt__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___lt__(self, *args)
3195 def __ge__(self, *args):
3197 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3198 __ge__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___ge__(self, *args)
3202 def __gt__(self, *args):
3204 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3205 __gt__(DirectionAngle self, Particle d) -> bool
3207 return _IMP_core.DirectionAngle___gt__(self, *args)
3210 r"""__hash__(DirectionAngle self) -> std::size_t"""
3211 return _IMP_core.DirectionAngle___hash__(self)
3214 r"""__str__(DirectionAngle self) -> std::string"""
3215 return _IMP_core.DirectionAngle___str__(self)
3218 r"""__repr__(DirectionAngle self) -> std::string"""
3219 return _IMP_core.DirectionAngle___repr__(self)
3221 def _get_as_binary(self):
3222 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3223 return _IMP_core.DirectionAngle__get_as_binary(self)
3225 def _set_from_binary(self, p):
3226 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3227 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3229 def __getstate__(self):
3230 p = self._get_as_binary()
3231 if len(self.__dict__) > 1:
3232 d = self.__dict__.copy()
3237 def __setstate__(self, p):
3238 if not hasattr(self,
'this'):
3240 if isinstance(p, tuple):
3242 self.__dict__.update(d)
3243 return self._set_from_binary(p)
3245 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3248 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3250 r"""Proxy of C++ IMP::core::Surface class."""
3252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3255 def do_setup_particle(*args):
3257 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3258 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3260 return _IMP_core.Surface_do_setup_particle(*args)
3262 def __init__(self, *args):
3264 __init__(Surface self) -> Surface
3265 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3266 __init__(Surface self, _ParticleAdaptor d) -> Surface
3268 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3270 def show(self, *args):
3271 r"""show(Surface self, _ostream out=std::cout)"""
3272 return _IMP_core.Surface_show(self, *args)
3275 def setup_particle(*args):
3277 setup_particle(Model m, ParticleIndex pi) -> Surface
3278 setup_particle(_ParticleAdaptor pa) -> Surface
3279 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3280 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3281 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3282 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3283 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3284 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3286 return _IMP_core.Surface_setup_particle(*args)
3288 def get_normal_x(self):
3289 r"""get_normal_x(Surface self) -> IMP::Float"""
3290 return _IMP_core.Surface_get_normal_x(self)
3292 def set_normal_x(self, t):
3293 r"""set_normal_x(Surface self, IMP::Float t)"""
3294 return _IMP_core.Surface_set_normal_x(self, t)
3296 def get_normal_y(self):
3297 r"""get_normal_y(Surface self) -> IMP::Float"""
3298 return _IMP_core.Surface_get_normal_y(self)
3300 def set_normal_y(self, t):
3301 r"""set_normal_y(Surface self, IMP::Float t)"""
3302 return _IMP_core.Surface_set_normal_y(self, t)
3304 def get_normal_z(self):
3305 r"""get_normal_z(Surface self) -> IMP::Float"""
3306 return _IMP_core.Surface_get_normal_z(self)
3308 def set_normal_z(self, t):
3309 r"""set_normal_z(Surface self, IMP::Float t)"""
3310 return _IMP_core.Surface_set_normal_z(self, t)
3313 def get_is_setup(*args):
3315 get_is_setup(_ParticleAdaptor p) -> bool
3316 get_is_setup(Model m, ParticleIndex pi) -> bool
3318 return _IMP_core.Surface_get_is_setup(*args)
3321 def get_normal_key(i):
3322 r"""get_normal_key(unsigned int i) -> FloatKey"""
3323 return _IMP_core.Surface_get_normal_key(i)
3325 def get_normal_derivative(self, i):
3326 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3327 return _IMP_core.Surface_get_normal_derivative(self, i)
3329 def get_normal_derivatives(self):
3330 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3331 return _IMP_core.Surface_get_normal_derivatives(self)
3333 def add_to_normal_derivative(self, i, v, d):
3334 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3335 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3337 def add_to_normal_derivatives(self, v, d):
3338 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3339 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3341 def get_normal_is_optimized(self):
3342 r"""get_normal_is_optimized(Surface self) -> bool"""
3343 return _IMP_core.Surface_get_normal_is_optimized(self)
3345 def set_normal_is_optimized(self, tf):
3346 r"""set_normal_is_optimized(Surface self, bool tf)"""
3347 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3349 def get_normal(self):
3350 r"""get_normal(Surface self) -> Vector3D"""
3351 return _IMP_core.Surface_get_normal(self)
3353 def set_normal(self, normal):
3354 r"""set_normal(Surface self, Vector3D normal)"""
3355 return _IMP_core.Surface_set_normal(self, normal)
3358 r"""reflect(Surface self)"""
3359 return _IMP_core.Surface_reflect(self)
3362 r"""get_height(Surface self, Vector3D v) -> double"""
3363 return _IMP_core.Surface_get_height(self, v)
3366 r"""get_depth(Surface self, Vector3D v) -> double"""
3367 return _IMP_core.Surface_get_depth(self, v)
3369 def get_distance_to(self, v):
3370 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3371 return _IMP_core.Surface_get_distance_to(self, v)
3373 def get_distance_to_center(self, v):
3374 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3375 return _IMP_core.Surface_get_distance_to_center(self, v)
3377 def set_reference_frame(self, rf):
3378 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3379 return _IMP_core.Surface_set_reference_frame(self, rf)
3381 def get_reference_frame(self):
3382 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3383 return _IMP_core.Surface_get_reference_frame(self)
3385 def get_plane(self):
3386 r"""get_plane(Surface self) -> Plane3D"""
3387 return _IMP_core.Surface_get_plane(self)
3389 def add_attribute(self, *args):
3391 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3392 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3393 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3394 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3395 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3396 add_attribute(Surface self, StringKey a0, IMP::String a1)
3397 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3398 add_attribute(Surface self, ObjectKey a0, Object a1)
3399 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3400 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3401 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3402 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3404 return _IMP_core.Surface_add_attribute(self, *args)
3406 def get_value(self, *args):
3408 get_value(Surface self, FloatKey a0) -> IMP::Float
3409 get_value(Surface self, IntKey a0) -> IMP::Int
3410 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3411 get_value(Surface self, IntsKey a0) -> IMP::Ints
3412 get_value(Surface self, StringKey a0) -> IMP::String
3413 get_value(Surface self, ParticleIndexKey a0) -> Particle
3414 get_value(Surface self, ObjectKey a0) -> Object
3415 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3416 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3417 get_value(Surface self, SparseStringKey a0) -> IMP::String
3418 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3420 return _IMP_core.Surface_get_value(self, *args)
3422 def set_value(self, *args):
3424 set_value(Surface self, FloatKey a0, IMP::Float a1)
3425 set_value(Surface self, IntKey a0, IMP::Int a1)
3426 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3427 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3428 set_value(Surface self, StringKey a0, IMP::String a1)
3429 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3430 set_value(Surface self, ObjectKey a0, Object a1)
3431 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3432 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3433 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3434 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3436 return _IMP_core.Surface_set_value(self, *args)
3438 def remove_attribute(self, *args):
3440 remove_attribute(Surface self, FloatKey a0)
3441 remove_attribute(Surface self, IntKey a0)
3442 remove_attribute(Surface self, FloatsKey a0)
3443 remove_attribute(Surface self, IntsKey a0)
3444 remove_attribute(Surface self, StringKey a0)
3445 remove_attribute(Surface self, ParticleIndexKey a0)
3446 remove_attribute(Surface self, ObjectKey a0)
3447 remove_attribute(Surface self, SparseFloatKey a0)
3448 remove_attribute(Surface self, SparseIntKey a0)
3449 remove_attribute(Surface self, SparseStringKey a0)
3450 remove_attribute(Surface self, SparseParticleIndexKey a0)
3452 return _IMP_core.Surface_remove_attribute(self, *args)
3454 def has_attribute(self, *args):
3456 has_attribute(Surface self, FloatKey a0) -> bool
3457 has_attribute(Surface self, IntKey a0) -> bool
3458 has_attribute(Surface self, FloatsKey a0) -> bool
3459 has_attribute(Surface self, IntsKey a0) -> bool
3460 has_attribute(Surface self, StringKey a0) -> bool
3461 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3462 has_attribute(Surface self, ObjectKey a0) -> bool
3463 has_attribute(Surface self, SparseFloatKey a0) -> bool
3464 has_attribute(Surface self, SparseIntKey a0) -> bool
3465 has_attribute(Surface self, SparseStringKey a0) -> bool
3466 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3468 return _IMP_core.Surface_has_attribute(self, *args)
3470 def get_derivative(self, a0):
3471 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3472 return _IMP_core.Surface_get_derivative(self, a0)
3475 r"""get_name(Surface self) -> std::string"""
3476 return _IMP_core.Surface_get_name(self)
3478 def clear_caches(self):
3479 r"""clear_caches(Surface self)"""
3480 return _IMP_core.Surface_clear_caches(self)
3482 def set_name(self, a0):
3483 r"""set_name(Surface self, std::string a0)"""
3484 return _IMP_core.Surface_set_name(self, a0)
3487 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3488 return _IMP_core.Surface_set_check_level(self, a0)
3490 def add_to_derivative(self, a0, a1, a2):
3491 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3492 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3494 def set_is_optimized(self, a0, a1):
3495 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3496 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3498 def get_is_optimized(self, a0):
3499 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3500 return _IMP_core.Surface_get_is_optimized(self, a0)
3503 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3504 return _IMP_core.Surface_get_check_level(self)
3506 def __eq__(self, *args):
3508 __eq__(Surface self, Surface o) -> bool
3509 __eq__(Surface self, Particle d) -> bool
3511 return _IMP_core.Surface___eq__(self, *args)
3513 def __ne__(self, *args):
3515 __ne__(Surface self, Surface o) -> bool
3516 __ne__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___ne__(self, *args)
3520 def __le__(self, *args):
3522 __le__(Surface self, Surface o) -> bool
3523 __le__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___le__(self, *args)
3527 def __lt__(self, *args):
3529 __lt__(Surface self, Surface o) -> bool
3530 __lt__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___lt__(self, *args)
3534 def __ge__(self, *args):
3536 __ge__(Surface self, Surface o) -> bool
3537 __ge__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___ge__(self, *args)
3541 def __gt__(self, *args):
3543 __gt__(Surface self, Surface o) -> bool
3544 __gt__(Surface self, Particle d) -> bool
3546 return _IMP_core.Surface___gt__(self, *args)
3549 r"""__hash__(Surface self) -> std::size_t"""
3550 return _IMP_core.Surface___hash__(self)
3553 r"""__str__(Surface self) -> std::string"""
3554 return _IMP_core.Surface___str__(self)
3557 r"""__repr__(Surface self) -> std::string"""
3558 return _IMP_core.Surface___repr__(self)
3560 def _get_as_binary(self):
3561 r"""_get_as_binary(Surface self) -> PyObject *"""
3562 return _IMP_core.Surface__get_as_binary(self)
3564 def _set_from_binary(self, p):
3565 r"""_set_from_binary(Surface self, PyObject * p)"""
3566 return _IMP_core.Surface__set_from_binary(self, p)
3568 def __getstate__(self):
3569 p = self._get_as_binary()
3570 if len(self.__dict__) > 1:
3571 d = self.__dict__.copy()
3576 def __setstate__(self, p):
3577 if not hasattr(self,
'this'):
3579 if isinstance(p, tuple):
3581 self.__dict__.update(d)
3582 return self._set_from_binary(p)
3584 __swig_destroy__ = _IMP_core.delete_Surface
3587 _IMP_core.Surface_swigregister(Surface)
3591 get_height(Surface s, XYZR d) -> double
3592 get_height(Surface s, XYZ d) -> double
3594 return _IMP_core.get_height(*args)
3598 get_depth(Surface s, XYZR d) -> double
3599 get_depth(Surface s, XYZ d) -> double
3601 return _IMP_core.get_depth(*args)
3605 get_distance(XYZ a, XYZ b) -> double
3606 get_distance(XYZR a, XYZR b) -> double
3607 get_distance(Surface s, XYZR d) -> double
3608 get_distance(Surface s, XYZ d) -> double
3610 return _IMP_core.get_distance(*args)
3612 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3614 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3616 def __init__(self, *args):
3618 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3619 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3620 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3622 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3624 def get_geometry(self):
3625 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3626 return _IMP_core.SurfaceGeometry_get_geometry(self)
3628 def set_geometry(self, s):
3629 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3630 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3632 def get_version_info(self):
3633 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3634 return _IMP_core.SurfaceGeometry_get_version_info(self)
3635 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3638 r"""__str__(SurfaceGeometry self) -> std::string"""
3639 return _IMP_core.SurfaceGeometry___str__(self)
3642 r"""__repr__(SurfaceGeometry self) -> std::string"""
3643 return _IMP_core.SurfaceGeometry___repr__(self)
3647 return _object_cast_to_SurfaceGeometry(o)
3651 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3654 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3655 return _IMP_core.create_geometry(*args)
3657 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3661 def __init__(self, s, g):
3662 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3663 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3665 def get_surface(self):
3666 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3667 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3669 def get_geometry(self):
3670 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3671 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3673 def do_get_inputs(self):
3674 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3675 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3677 def do_get_outputs(self):
3678 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3679 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3681 def get_version_info(self):
3682 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3683 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3684 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3687 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3688 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3691 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3692 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3696 return _object_cast_to_SurfaceGeometryConstraint(o)
3700 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3703 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3704 return _IMP_core.get_constrained_surface_geometry(*args)
3706 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3708 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3710 def __init__(self, s, d):
3711 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3712 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3714 def do_get_inputs(self):
3715 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3716 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3718 def do_get_outputs(self):
3719 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3720 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3722 def get_version_info(self):
3723 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3724 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3725 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3728 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3729 return _IMP_core.LateralSurfaceConstraint___str__(self)
3732 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3733 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3737 return _object_cast_to_LateralSurfaceConstraint(o)
3741 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3743 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3747 def __init__(self, *args):
3749 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3750 __init__(AngleTripletScore self) -> AngleTripletScore
3752 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3754 def do_get_inputs(self, m, pis):
3755 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3756 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3758 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3759 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"""
3760 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3762 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3763 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"""
3764 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3766 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3767 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"""
3768 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3770 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3771 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"""
3772 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3774 def get_version_info(self):
3775 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3776 return _IMP_core.AngleTripletScore_get_version_info(self)
3777 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3780 r"""__str__(AngleTripletScore self) -> std::string"""
3781 return _IMP_core.AngleTripletScore___str__(self)
3784 r"""__repr__(AngleTripletScore self) -> std::string"""
3785 return _IMP_core.AngleTripletScore___repr__(self)
3789 return _object_cast_to_AngleTripletScore(o)
3792 def _get_as_binary(self):
3793 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3794 return _IMP_core.AngleTripletScore__get_as_binary(self)
3796 def _set_from_binary(self, p):
3797 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3798 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3800 def __getstate__(self):
3801 p = self._get_as_binary()
3802 if len(self.__dict__) > 1:
3803 d = self.__dict__.copy()
3808 def __setstate__(self, p):
3809 if not hasattr(self,
'this'):
3811 if isinstance(p, tuple):
3813 self.__dict__.update(d)
3814 return self._set_from_binary(p)
3818 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3819 class BallMover(MonteCarloMover):
3820 r"""Proxy of C++ IMP::core::BallMover class."""
3822 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3824 def __init__(self, *args):
3826 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3827 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3828 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3829 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3830 __init__(BallMover self) -> BallMover
3832 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3834 def set_radius(self, radius):
3835 r"""set_radius(BallMover self, IMP::Float radius)"""
3836 return _IMP_core.BallMover_set_radius(self, radius)
3838 def get_radius(self):
3839 r"""get_radius(BallMover self) -> IMP::Float"""
3840 return _IMP_core.BallMover_get_radius(self)
3843 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3844 return _IMP_core.BallMover_get_indexes(self)
3847 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3848 return _IMP_core.BallMover_get_keys(self)
3850 def get_version_info(self):
3851 r"""get_version_info(BallMover self) -> VersionInfo"""
3852 return _IMP_core.BallMover_get_version_info(self)
3853 __swig_destroy__ = _IMP_core.delete_BallMover
3856 r"""__str__(BallMover self) -> std::string"""
3857 return _IMP_core.BallMover___str__(self)
3860 r"""__repr__(BallMover self) -> std::string"""
3861 return _IMP_core.BallMover___repr__(self)
3865 return _object_cast_to_BallMover(o)
3868 def _get_as_binary(self):
3869 r"""_get_as_binary(BallMover self) -> PyObject *"""
3870 return _IMP_core.BallMover__get_as_binary(self)
3872 def _set_from_binary(self, p):
3873 r"""_set_from_binary(BallMover self, PyObject * p)"""
3874 return _IMP_core.BallMover__set_from_binary(self, p)
3876 def __getstate__(self):
3877 p = self._get_as_binary()
3878 if len(self.__dict__) > 1:
3879 d = self.__dict__.copy()
3884 def __setstate__(self, p):
3885 if not hasattr(self,
'this'):
3887 if isinstance(p, tuple):
3889 self.__dict__.update(d)
3890 return self._set_from_binary(p)
3893 def _get_jax(self, space):
3895 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3896 indexes = self.get_indexes()
3897 keys = frozenset(self.get_keys())
3900 elif keys == frozenset(
3904 raise NotImplementedError(
3905 "Only works for XYZ or internal coordinates")
3906 radius = self.get_radius()
3911 def propose_func(jm, key):
3912 key, subkey = jax.random.split(key)
3913 v = get_random_vector_in_3d_sphere(subkey, radius)
3915 rbs = jm[
'rigid_bodies']
3916 rbs.intcoord = space.shift_indexes(rbs.intcoord, indexes, v)
3918 jm[
'xyz'] = space.shift_indexes(jm[
'xyz'], indexes, v)
3920 return self._wrap_jax(init_func, propose_func,
3921 keys=[
'rigid_bodies']
if intcoord
else None)
3925 _IMP_core.BallMover_swigregister(BallMover)
3926 class SerialMover(MonteCarloMover):
3927 r"""Proxy of C++ IMP::core::SerialMover class."""
3929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3931 def __init__(self, *args):
3933 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3934 __init__(SerialMover self) -> SerialMover
3936 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3938 def get_movers(self):
3939 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3940 return _IMP_core.SerialMover_get_movers(self)
3942 def get_version_info(self):
3943 r"""get_version_info(SerialMover self) -> VersionInfo"""
3944 return _IMP_core.SerialMover_get_version_info(self)
3945 __swig_destroy__ = _IMP_core.delete_SerialMover
3948 r"""__str__(SerialMover self) -> std::string"""
3949 return _IMP_core.SerialMover___str__(self)
3952 r"""__repr__(SerialMover self) -> std::string"""
3953 return _IMP_core.SerialMover___repr__(self)
3957 return _object_cast_to_SerialMover(o)
3960 def _get_as_binary(self):
3961 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3962 return _IMP_core.SerialMover__get_as_binary(self)
3964 def _set_from_binary(self, p):
3965 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3966 return _IMP_core.SerialMover__set_from_binary(self, p)
3968 def __getstate__(self):
3969 p = self._get_as_binary()
3970 if len(self.__dict__) > 1:
3971 d = self.__dict__.copy()
3976 def __setstate__(self, p):
3977 if not hasattr(self,
'this'):
3979 if isinstance(p, tuple):
3981 self.__dict__.update(d)
3982 return self._set_from_binary(p)
3985 def _get_jax(self, space):
3988 import jax.numpy
as jnp
3989 from IMP.core._jax_util
import _SerialMover
3990 movers = [m.get_derived_object()._get_jax(space)
3991 for m
in self.get_movers()]
3993 def sub_propose_func(jm, sms, i):
3994 """Call the propose_func of the ith mover"""
3995 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3996 jm, sms.mover_state[i])
3997 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
3998 return jm, sms, ratio
4000 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4001 for i
in range(len(movers))]
4007 key, subkey = jax.random.split(key)
4008 mover_state.append(m.init_func(subkey))
4009 return _SerialMover(
4010 imov=-1, mover_state=mover_state,
4011 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4012 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4014 def reset_stats_func(sms):
4015 sms.mover_state = [m.reset_stats_func(ms)
4016 if m.reset_stats_func
else ms
4017 for (m, ms)
in zip(movers, sms.mover_state)]
4018 sms.proposed_mover_steps = jnp.zeros(len(movers), dtype=int)
4019 sms.accepted_mover_steps = jnp.zeros(len(movers), dtype=int)
4022 def propose_func(jm, sms):
4023 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4024 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4026 def accept_func(sms):
4028 sms.accepted_mover_steps = \
4029 sms.accepted_mover_steps.at[sms.imov].add(1)
4032 def sync_func(imp_mover, sms):
4034 for i, mover
in enumerate(imp_mover.get_movers()):
4035 mover.add_to_statistics(
4036 sms.proposed_mover_steps[i],
4037 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4039 return self._wrap_jax(
4040 init_func, propose_func, accept_func, sync_func,
4041 reset_stats_func=reset_stats_func,
4042 keys=frozenset(x
for m
in movers
for x
in m._keys))
4046 _IMP_core.SerialMover_swigregister(SerialMover)
4047 class SubsetMover(MonteCarloMover):
4048 r"""Proxy of C++ IMP::core::SubsetMover class."""
4050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4052 def __init__(self, *args):
4054 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4055 __init__(SubsetMover self) -> SubsetMover
4057 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4059 def get_movers(self):
4060 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4061 return _IMP_core.SubsetMover_get_movers(self)
4063 def get_subset_size(self):
4064 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4065 return _IMP_core.SubsetMover_get_subset_size(self)
4067 def get_version_info(self):
4068 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4069 return _IMP_core.SubsetMover_get_version_info(self)
4070 __swig_destroy__ = _IMP_core.delete_SubsetMover
4073 r"""__str__(SubsetMover self) -> std::string"""
4074 return _IMP_core.SubsetMover___str__(self)
4077 r"""__repr__(SubsetMover self) -> std::string"""
4078 return _IMP_core.SubsetMover___repr__(self)
4082 return _object_cast_to_SubsetMover(o)
4085 def _get_as_binary(self):
4086 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4087 return _IMP_core.SubsetMover__get_as_binary(self)
4089 def _set_from_binary(self, p):
4090 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4091 return _IMP_core.SubsetMover__set_from_binary(self, p)
4093 def __getstate__(self):
4094 p = self._get_as_binary()
4095 if len(self.__dict__) > 1:
4096 d = self.__dict__.copy()
4101 def __setstate__(self, p):
4102 if not hasattr(self,
'this'):
4104 if isinstance(p, tuple):
4106 self.__dict__.update(d)
4107 return self._set_from_binary(p)
4111 _IMP_core.SubsetMover_swigregister(SubsetMover)
4112 class DirectionMover(MonteCarloMover):
4113 r"""Proxy of C++ IMP::core::DirectionMover class."""
4115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4117 def __init__(self, *args):
4119 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4120 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4121 __init__(DirectionMover self) -> DirectionMover
4123 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4125 def set_maximum_rotation(self, mr):
4126 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4127 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4129 def set_reflect_probability(self, rp):
4130 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4131 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4133 def get_maximum_rotation(self):
4134 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4135 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4137 def get_reflect_probability(self):
4138 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4139 return _IMP_core.DirectionMover_get_reflect_probability(self)
4141 def get_direction(self):
4142 r"""get_direction(DirectionMover self) -> Direction"""
4143 return _IMP_core.DirectionMover_get_direction(self)
4145 def get_version_info(self):
4146 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4147 return _IMP_core.DirectionMover_get_version_info(self)
4148 __swig_destroy__ = _IMP_core.delete_DirectionMover
4151 r"""__str__(DirectionMover self) -> std::string"""
4152 return _IMP_core.DirectionMover___str__(self)
4155 r"""__repr__(DirectionMover self) -> std::string"""
4156 return _IMP_core.DirectionMover___repr__(self)
4160 return _object_cast_to_DirectionMover(o)
4163 def _get_as_binary(self):
4164 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4165 return _IMP_core.DirectionMover__get_as_binary(self)
4167 def _set_from_binary(self, p):
4168 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4169 return _IMP_core.DirectionMover__set_from_binary(self, p)
4171 def __getstate__(self):
4172 p = self._get_as_binary()
4173 if len(self.__dict__) > 1:
4174 d = self.__dict__.copy()
4179 def __setstate__(self, p):
4180 if not hasattr(self,
'this'):
4182 if isinstance(p, tuple):
4184 self.__dict__.update(d)
4185 return self._set_from_binary(p)
4189 _IMP_core.DirectionMover_swigregister(DirectionMover)
4190 class SurfaceMover(MonteCarloMover):
4191 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4193 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4195 def __init__(self, *args):
4197 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4198 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4199 __init__(SurfaceMover self) -> SurfaceMover
4201 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4203 def set_maximum_translation(self, mt):
4204 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4205 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4207 def set_maximum_rotation(self, mr):
4208 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4209 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4211 def set_reflect_probability(self, rp):
4212 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4213 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4215 def get_maximum_translation(self):
4216 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4217 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4219 def get_maximum_rotation(self):
4220 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4221 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4223 def get_reflect_probability(self):
4224 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4225 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4227 def get_surface(self):
4228 r"""get_surface(SurfaceMover self) -> Surface"""
4229 return _IMP_core.SurfaceMover_get_surface(self)
4231 def get_version_info(self):
4232 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4233 return _IMP_core.SurfaceMover_get_version_info(self)
4234 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4237 r"""__str__(SurfaceMover self) -> std::string"""
4238 return _IMP_core.SurfaceMover___str__(self)
4241 r"""__repr__(SurfaceMover self) -> std::string"""
4242 return _IMP_core.SurfaceMover___repr__(self)
4246 return _object_cast_to_SurfaceMover(o)
4249 def _get_as_binary(self):
4250 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4251 return _IMP_core.SurfaceMover__get_as_binary(self)
4253 def _set_from_binary(self, p):
4254 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4255 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4257 def __getstate__(self):
4258 p = self._get_as_binary()
4259 if len(self.__dict__) > 1:
4260 d = self.__dict__.copy()
4265 def __setstate__(self, p):
4266 if not hasattr(self,
'this'):
4268 if isinstance(p, tuple):
4270 self.__dict__.update(d)
4271 return self._set_from_binary(p)
4275 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4276 class BoxSweepClosePairsFinder(ClosePairsFinder):
4277 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4279 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4282 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4283 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4285 def get_close_pairs(self, *args):
4287 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4288 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4289 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4290 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4292 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4294 def do_get_inputs(self, m, pis):
4295 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4296 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4298 def get_version_info(self):
4299 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4300 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4301 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4304 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4305 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4308 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4309 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4313 return _object_cast_to_BoxSweepClosePairsFinder(o)
4317 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4319 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4321 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4323 def __init__(self, *args):
4325 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4326 __init__(CentroidOfRefined self) -> CentroidOfRefined
4328 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4330 def get_refiner(self):
4331 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4332 return _IMP_core.CentroidOfRefined_get_refiner(self)
4334 def get_weight(self):
4335 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4336 return _IMP_core.CentroidOfRefined_get_weight(self)
4339 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4340 return _IMP_core.CentroidOfRefined_get_keys(self)
4342 def get_is_weight_null(self):
4343 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4344 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4346 def do_get_inputs(self, m, pis):
4347 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4348 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4350 def do_get_outputs(self, m, pis):
4351 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4352 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4354 def get_version_info(self):
4355 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4356 return _IMP_core.CentroidOfRefined_get_version_info(self)
4357 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4360 r"""__str__(CentroidOfRefined self) -> std::string"""
4361 return _IMP_core.CentroidOfRefined___str__(self)
4364 r"""__repr__(CentroidOfRefined self) -> std::string"""
4365 return _IMP_core.CentroidOfRefined___repr__(self)
4369 return _object_cast_to_CentroidOfRefined(o)
4372 def _get_as_binary(self):
4373 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4374 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4376 def _set_from_binary(self, p):
4377 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4378 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4380 def __getstate__(self):
4381 p = self._get_as_binary()
4382 if len(self.__dict__) > 1:
4383 d = self.__dict__.copy()
4388 def __setstate__(self, p):
4389 if not hasattr(self,
'this'):
4391 if isinstance(p, tuple):
4393 self.__dict__.update(d)
4394 return self._set_from_binary(p)
4397 def _get_jax(self, m, indexes):
4398 import jax.numpy
as jnp
4401 for index
in indexes]
4403 def apply_func_unweighted(jm):
4404 for ind, ref
in zip(indexes, refined):
4406 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4409 def apply_func_weighted(jm, weight_key):
4410 for ind, ref
in zip(indexes, refined):
4412 weights = jm[weight_key][ref]
4413 jm[
'xyz'] = xyz.at[ind].set(
4414 jnp.average(xyz[ref], axis=0, weights=weights))
4417 keys = frozenset(self.get_keys())
4419 raise NotImplementedError(
"Only works for XYZ")
4421 if self.get_is_weight_null():
4422 return self._wrap_jax(apply_func_unweighted)
4424 weight_key = self.get_weight()
4425 return self._wrap_jax(
4426 functools.partial(apply_func_weighted,
4427 weight_key=weight_key.get_string()),
4432 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4433 class Centroid(XYZ):
4434 r"""Proxy of C++ IMP::core::Centroid class."""
4436 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4438 def get_constraint(self):
4439 r"""get_constraint(Centroid self) -> Constraint"""
4440 return _IMP_core.Centroid_get_constraint(self)
4442 def __init__(self, *args):
4444 __init__(Centroid self) -> Centroid
4445 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4446 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4448 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4450 def show(self, *args):
4451 r"""show(Centroid self, _ostream out=std::cout)"""
4452 return _IMP_core.Centroid_show(self, *args)
4455 def setup_particle(*args):
4457 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4458 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4459 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4460 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4462 return _IMP_core.Centroid_setup_particle(*args)
4465 def get_is_setup(*args):
4467 get_is_setup(_ParticleAdaptor p) -> bool
4468 get_is_setup(Model m, ParticleIndex pi) -> bool
4470 return _IMP_core.Centroid_get_is_setup(*args)
4472 def add_attribute(self, *args):
4474 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4475 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4476 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4477 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4478 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4479 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4480 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4481 add_attribute(Centroid self, ObjectKey a0, Object a1)
4482 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4483 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4484 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4485 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4487 return _IMP_core.Centroid_add_attribute(self, *args)
4489 def get_value(self, *args):
4491 get_value(Centroid self, FloatKey a0) -> IMP::Float
4492 get_value(Centroid self, IntKey a0) -> IMP::Int
4493 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4494 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4495 get_value(Centroid self, StringKey a0) -> IMP::String
4496 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4497 get_value(Centroid self, ObjectKey a0) -> Object
4498 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4499 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4500 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4501 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4503 return _IMP_core.Centroid_get_value(self, *args)
4505 def set_value(self, *args):
4507 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4508 set_value(Centroid self, IntKey a0, IMP::Int a1)
4509 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4510 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4511 set_value(Centroid self, StringKey a0, IMP::String a1)
4512 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4513 set_value(Centroid self, ObjectKey a0, Object a1)
4514 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4515 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4516 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4517 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4519 return _IMP_core.Centroid_set_value(self, *args)
4521 def remove_attribute(self, *args):
4523 remove_attribute(Centroid self, FloatKey a0)
4524 remove_attribute(Centroid self, IntKey a0)
4525 remove_attribute(Centroid self, FloatsKey a0)
4526 remove_attribute(Centroid self, IntsKey a0)
4527 remove_attribute(Centroid self, StringKey a0)
4528 remove_attribute(Centroid self, ParticleIndexKey a0)
4529 remove_attribute(Centroid self, ObjectKey a0)
4530 remove_attribute(Centroid self, SparseFloatKey a0)
4531 remove_attribute(Centroid self, SparseIntKey a0)
4532 remove_attribute(Centroid self, SparseStringKey a0)
4533 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4535 return _IMP_core.Centroid_remove_attribute(self, *args)
4537 def has_attribute(self, *args):
4539 has_attribute(Centroid self, FloatKey a0) -> bool
4540 has_attribute(Centroid self, IntKey a0) -> bool
4541 has_attribute(Centroid self, FloatsKey a0) -> bool
4542 has_attribute(Centroid self, IntsKey a0) -> bool
4543 has_attribute(Centroid self, StringKey a0) -> bool
4544 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4545 has_attribute(Centroid self, ObjectKey a0) -> bool
4546 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4547 has_attribute(Centroid self, SparseIntKey a0) -> bool
4548 has_attribute(Centroid self, SparseStringKey a0) -> bool
4549 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4551 return _IMP_core.Centroid_has_attribute(self, *args)
4553 def get_derivative(self, a0):
4554 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4555 return _IMP_core.Centroid_get_derivative(self, a0)
4558 r"""get_name(Centroid self) -> std::string"""
4559 return _IMP_core.Centroid_get_name(self)
4561 def clear_caches(self):
4562 r"""clear_caches(Centroid self)"""
4563 return _IMP_core.Centroid_clear_caches(self)
4565 def set_name(self, a0):
4566 r"""set_name(Centroid self, std::string a0)"""
4567 return _IMP_core.Centroid_set_name(self, a0)
4570 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4571 return _IMP_core.Centroid_set_check_level(self, a0)
4573 def add_to_derivative(self, a0, a1, a2):
4574 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4575 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4577 def set_is_optimized(self, a0, a1):
4578 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4579 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4581 def get_is_optimized(self, a0):
4582 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4583 return _IMP_core.Centroid_get_is_optimized(self, a0)
4586 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4587 return _IMP_core.Centroid_get_check_level(self)
4589 def __eq__(self, *args):
4591 __eq__(Centroid self, Centroid o) -> bool
4592 __eq__(Centroid self, Particle d) -> bool
4594 return _IMP_core.Centroid___eq__(self, *args)
4596 def __ne__(self, *args):
4598 __ne__(Centroid self, Centroid o) -> bool
4599 __ne__(Centroid self, Particle d) -> bool
4601 return _IMP_core.Centroid___ne__(self, *args)
4603 def __le__(self, *args):
4605 __le__(Centroid self, Centroid o) -> bool
4606 __le__(Centroid self, Particle d) -> bool
4608 return _IMP_core.Centroid___le__(self, *args)
4610 def __lt__(self, *args):
4612 __lt__(Centroid self, Centroid o) -> bool
4613 __lt__(Centroid self, Particle d) -> bool
4615 return _IMP_core.Centroid___lt__(self, *args)
4617 def __ge__(self, *args):
4619 __ge__(Centroid self, Centroid o) -> bool
4620 __ge__(Centroid self, Particle d) -> bool
4622 return _IMP_core.Centroid___ge__(self, *args)
4624 def __gt__(self, *args):
4626 __gt__(Centroid self, Centroid o) -> bool
4627 __gt__(Centroid self, Particle d) -> bool
4629 return _IMP_core.Centroid___gt__(self, *args)
4632 r"""__hash__(Centroid self) -> std::size_t"""
4633 return _IMP_core.Centroid___hash__(self)
4636 r"""__str__(Centroid self) -> std::string"""
4637 return _IMP_core.Centroid___str__(self)
4640 r"""__repr__(Centroid self) -> std::string"""
4641 return _IMP_core.Centroid___repr__(self)
4643 def _get_as_binary(self):
4644 r"""_get_as_binary(Centroid self) -> PyObject *"""
4645 return _IMP_core.Centroid__get_as_binary(self)
4647 def _set_from_binary(self, p):
4648 r"""_set_from_binary(Centroid self, PyObject * p)"""
4649 return _IMP_core.Centroid__set_from_binary(self, p)
4651 def __getstate__(self):
4652 p = self._get_as_binary()
4653 if len(self.__dict__) > 1:
4654 d = self.__dict__.copy()
4659 def __setstate__(self, p):
4660 if not hasattr(self,
'this'):
4662 if isinstance(p, tuple):
4664 self.__dict__.update(d)
4665 return self._set_from_binary(p)
4667 __swig_destroy__ = _IMP_core.delete_Centroid
4670 _IMP_core.Centroid_swigregister(Centroid)
4672 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4676 def __init__(self, *args):
4678 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4679 __init__(ChecksScoreState self) -> ChecksScoreState
4681 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4683 def get_number_of_checked(self):
4684 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4685 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4687 def do_before_evaluate(self):
4688 r"""do_before_evaluate(ChecksScoreState self)"""
4689 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4691 def do_after_evaluate(self, da):
4692 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4693 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4695 def do_get_outputs(self):
4696 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4697 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4699 def do_get_inputs(self):
4700 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4701 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4703 def get_version_info(self):
4704 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4705 return _IMP_core.ChecksScoreState_get_version_info(self)
4706 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4709 r"""__str__(ChecksScoreState self) -> std::string"""
4710 return _IMP_core.ChecksScoreState___str__(self)
4713 r"""__repr__(ChecksScoreState self) -> std::string"""
4714 return _IMP_core.ChecksScoreState___repr__(self)
4718 return _object_cast_to_ChecksScoreState(o)
4721 def _get_as_binary(self):
4722 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4723 return _IMP_core.ChecksScoreState__get_as_binary(self)
4725 def _set_from_binary(self, p):
4726 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4727 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4729 def __getstate__(self):
4730 p = self._get_as_binary()
4731 if len(self.__dict__) > 1:
4732 d = self.__dict__.copy()
4737 def __setstate__(self, p):
4738 if not hasattr(self,
'this'):
4740 if isinstance(p, tuple):
4742 self.__dict__.update(d)
4743 return self._set_from_binary(p)
4747 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4749 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4753 def __init__(self, tr):
4754 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4755 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4757 def do_get_inputs(self, m, pis):
4758 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4759 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4761 def get_version_info(self):
4762 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4763 return _IMP_core.ChildrenRefiner_get_version_info(self)
4764 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4767 r"""__str__(ChildrenRefiner self) -> std::string"""
4768 return _IMP_core.ChildrenRefiner___str__(self)
4771 r"""__repr__(ChildrenRefiner self) -> std::string"""
4772 return _IMP_core.ChildrenRefiner___repr__(self)
4776 return _object_cast_to_ChildrenRefiner(o)
4780 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4782 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4784 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4786 def __init__(self, values, minrange, spacing):
4787 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4788 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4790 def get_version_info(self):
4791 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4792 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4793 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4795 def do_show(self, out):
4796 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4797 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4799 def get_minrange(self):
4800 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4801 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4803 def get_spacing(self):
4804 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4805 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4807 def get_values(self):
4808 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4809 return _IMP_core.ClosedCubicSpline_get_values(self)
4811 def get_second_derivatives(self):
4812 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4813 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4816 r"""__str__(ClosedCubicSpline self) -> std::string"""
4817 return _IMP_core.ClosedCubicSpline___str__(self)
4820 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4821 return _IMP_core.ClosedCubicSpline___repr__(self)
4825 return _object_cast_to_ClosedCubicSpline(o)
4829 import jax.numpy
as jnp
4830 from IMP.core._jax_util
import _spline
4831 def score(feature, minrange, spacing, values, second_derivs):
4833 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4835 highbin = jnp.remainder(lowbin + 1, len(values))
4836 return _spline(feature, minrange, lowbin, highbin, spacing,
4837 values, second_derivs)
4838 return functools.partial(
4839 score, minrange=self.get_minrange(),
4840 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4841 second_derivs=jnp.asarray(self.get_second_derivatives()))
4845 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4847 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4849 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4851 def __init__(self, f, r, k=1):
4852 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4853 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4855 def get_close_pairs(self, pp):
4856 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4857 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4859 def create_current_decomposition(self, m, vt):
4860 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4861 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4863 def do_get_inputs(self, m, pis):
4864 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4865 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4867 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4868 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"""
4869 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4871 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4872 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"""
4873 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4875 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4876 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"""
4877 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4879 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4880 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"""
4881 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4883 def get_version_info(self):
4884 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4885 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4886 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4889 r"""__str__(KClosePairsPairScore self) -> std::string"""
4890 return _IMP_core.KClosePairsPairScore___str__(self)
4893 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4894 return _IMP_core.KClosePairsPairScore___repr__(self)
4898 return _object_cast_to_KClosePairsPairScore(o)
4902 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4904 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4908 def __init__(self, f, r, max_distance):
4909 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4910 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4912 def get_close_pairs(self, pp):
4913 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4914 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4916 def create_current_decomposition(self, m, vt):
4917 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4918 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4920 def do_get_inputs(self, m, pis):
4921 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4922 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4924 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4925 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"""
4926 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4928 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4929 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"""
4930 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4932 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4933 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"""
4934 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4936 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4937 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"""
4938 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4940 def get_version_info(self):
4941 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4942 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4943 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4946 r"""__str__(ClosePairsPairScore self) -> std::string"""
4947 return _IMP_core.ClosePairsPairScore___str__(self)
4950 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4951 return _IMP_core.ClosePairsPairScore___repr__(self)
4955 return _object_cast_to_ClosePairsPairScore(o)
4959 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4961 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4963 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4965 def __init__(self, *args):
4967 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4968 __init__(ConjugateGradients self) -> ConjugateGradients
4970 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4972 def set_gradient_threshold(self, t):
4973 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4974 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4976 def set_max_change(self, t):
4977 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4978 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4980 def do_optimize(self, max_steps):
4981 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4982 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4984 def get_version_info(self):
4985 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4986 return _IMP_core.ConjugateGradients_get_version_info(self)
4987 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4990 r"""__str__(ConjugateGradients self) -> std::string"""
4991 return _IMP_core.ConjugateGradients___str__(self)
4994 r"""__repr__(ConjugateGradients self) -> std::string"""
4995 return _IMP_core.ConjugateGradients___repr__(self)
4999 return _object_cast_to_ConjugateGradients(o)
5002 def _get_as_binary(self):
5003 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
5004 return _IMP_core.ConjugateGradients__get_as_binary(self)
5006 def _set_from_binary(self, p):
5007 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
5008 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
5010 def __getstate__(self):
5011 p = self._get_as_binary()
5012 if len(self.__dict__) > 1:
5013 d = self.__dict__.copy()
5018 def __setstate__(self, p):
5019 if not hasattr(self,
'this'):
5021 if isinstance(p, tuple):
5023 self.__dict__.update(d)
5024 return self._set_from_binary(p)
5028 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5030 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5032 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5034 def __init__(self, ps, sc):
5035 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5036 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5038 def get_connected_index_pairs(self):
5039 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5040 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5042 def get_pair_score(self):
5043 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5044 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5046 def do_create_current_decomposition(self):
5047 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5048 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5050 def do_get_inputs(self):
5051 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5052 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5054 def get_version_info(self):
5055 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5056 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5057 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5060 r"""__str__(ConnectivityRestraint self) -> std::string"""
5061 return _IMP_core.ConnectivityRestraint___str__(self)
5064 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5065 return _IMP_core.ConnectivityRestraint___repr__(self)
5069 return _object_cast_to_ConnectivityRestraint(o)
5073 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5075 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5077 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5079 def __init__(self, *args):
5081 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5082 __init__(ConstantRestraint self) -> ConstantRestraint
5084 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5086 def do_get_inputs(self):
5087 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5088 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5090 def get_version_info(self):
5091 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5092 return _IMP_core.ConstantRestraint_get_version_info(self)
5093 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5096 r"""__str__(ConstantRestraint self) -> std::string"""
5097 return _IMP_core.ConstantRestraint___str__(self)
5100 r"""__repr__(ConstantRestraint self) -> std::string"""
5101 return _IMP_core.ConstantRestraint___repr__(self)
5105 return _object_cast_to_ConstantRestraint(o)
5108 def _get_as_binary(self):
5109 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5110 return _IMP_core.ConstantRestraint__get_as_binary(self)
5112 def _set_from_binary(self, p):
5113 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5114 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5116 def __getstate__(self):
5117 p = self._get_as_binary()
5118 if len(self.__dict__) > 1:
5119 d = self.__dict__.copy()
5124 def __setstate__(self, p):
5125 if not hasattr(self,
'this'):
5127 if isinstance(p, tuple):
5129 self.__dict__.update(d)
5130 return self._set_from_binary(p)
5134 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5136 r"""Proxy of C++ IMP::core::Cosine class."""
5138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5140 def __init__(self, *args):
5142 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5143 __init__(Cosine self) -> Cosine
5145 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5147 def get_force_constant(self):
5148 r"""get_force_constant(Cosine self) -> IMP::Float"""
5149 return _IMP_core.Cosine_get_force_constant(self)
5151 def get_periodicity(self):
5152 r"""get_periodicity(Cosine self) -> int"""
5153 return _IMP_core.Cosine_get_periodicity(self)
5155 def get_phase(self):
5156 r"""get_phase(Cosine self) -> IMP::Float"""
5157 return _IMP_core.Cosine_get_phase(self)
5159 def get_version_info(self):
5160 r"""get_version_info(Cosine self) -> VersionInfo"""
5161 return _IMP_core.Cosine_get_version_info(self)
5162 __swig_destroy__ = _IMP_core.delete_Cosine
5164 def do_show(self, out):
5165 r"""do_show(Cosine self, _ostream out)"""
5166 return _IMP_core.Cosine_do_show(self, out)
5169 r"""__str__(Cosine self) -> std::string"""
5170 return _IMP_core.Cosine___str__(self)
5173 r"""__repr__(Cosine self) -> std::string"""
5174 return _IMP_core.Cosine___repr__(self)
5178 return _object_cast_to_Cosine(o)
5181 def _get_as_binary(self):
5182 r"""_get_as_binary(Cosine self) -> PyObject *"""
5183 return _IMP_core.Cosine__get_as_binary(self)
5185 def _set_from_binary(self, p):
5186 r"""_set_from_binary(Cosine self, PyObject * p)"""
5187 return _IMP_core.Cosine__set_from_binary(self, p)
5189 def __getstate__(self):
5190 p = self._get_as_binary()
5191 if len(self.__dict__) > 1:
5192 d = self.__dict__.copy()
5197 def __setstate__(self, p):
5198 if not hasattr(self,
'this'):
5200 if isinstance(p, tuple):
5202 self.__dict__.update(d)
5203 return self._set_from_binary(p)
5207 import jax.numpy
as jnp
5208 def score(val, k, period, phase):
5209 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5210 return functools.partial(score, k=self.get_force_constant(),
5211 period=self.get_periodicity(),
5212 phase=self.get_phase())
5216 _IMP_core.Cosine_swigregister(Cosine)
5218 r"""Proxy of C++ IMP::core::CoverRefined class."""
5220 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5222 def __init__(self, ref, slack=0):
5223 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5224 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5226 def set_slack(self, slack):
5227 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5228 return _IMP_core.CoverRefined_set_slack(self, slack)
5230 def do_get_inputs(self, m, pis):
5231 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5232 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5234 def do_get_outputs(self, m, pis):
5235 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5236 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5238 def get_version_info(self):
5239 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5240 return _IMP_core.CoverRefined_get_version_info(self)
5241 __swig_destroy__ = _IMP_core.delete_CoverRefined
5244 r"""__str__(CoverRefined self) -> std::string"""
5245 return _IMP_core.CoverRefined___str__(self)
5248 r"""__repr__(CoverRefined self) -> std::string"""
5249 return _IMP_core.CoverRefined___repr__(self)
5253 return _object_cast_to_CoverRefined(o)
5257 _IMP_core.CoverRefined_swigregister(CoverRefined)
5259 r"""Proxy of C++ IMP::core::Cover class."""
5261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5263 def get_constraint(self):
5264 r"""get_constraint(Cover self) -> Constraint"""
5265 return _IMP_core.Cover_get_constraint(self)
5267 def __init__(self, *args):
5269 __init__(Cover self) -> Cover
5270 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5271 __init__(Cover self, _ParticleAdaptor d) -> Cover
5273 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5275 def show(self, *args):
5276 r"""show(Cover self, _ostream out=std::cout)"""
5277 return _IMP_core.Cover_show(self, *args)
5280 def setup_particle(*args):
5282 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5283 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5284 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5285 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5287 return _IMP_core.Cover_setup_particle(*args)
5290 def get_is_setup(*args):
5292 get_is_setup(_ParticleAdaptor p) -> bool
5293 get_is_setup(Model m, ParticleIndex pi) -> bool
5295 return _IMP_core.Cover_get_is_setup(*args)
5297 def add_attribute(self, *args):
5299 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5300 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5301 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5302 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5303 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5304 add_attribute(Cover self, StringKey a0, IMP::String a1)
5305 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5306 add_attribute(Cover self, ObjectKey a0, Object a1)
5307 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5308 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5309 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5310 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5312 return _IMP_core.Cover_add_attribute(self, *args)
5314 def get_value(self, *args):
5316 get_value(Cover self, FloatKey a0) -> IMP::Float
5317 get_value(Cover self, IntKey a0) -> IMP::Int
5318 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5319 get_value(Cover self, IntsKey a0) -> IMP::Ints
5320 get_value(Cover self, StringKey a0) -> IMP::String
5321 get_value(Cover self, ParticleIndexKey a0) -> Particle
5322 get_value(Cover self, ObjectKey a0) -> Object
5323 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5324 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5325 get_value(Cover self, SparseStringKey a0) -> IMP::String
5326 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5328 return _IMP_core.Cover_get_value(self, *args)
5330 def set_value(self, *args):
5332 set_value(Cover self, FloatKey a0, IMP::Float a1)
5333 set_value(Cover self, IntKey a0, IMP::Int a1)
5334 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5335 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5336 set_value(Cover self, StringKey a0, IMP::String a1)
5337 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5338 set_value(Cover self, ObjectKey a0, Object a1)
5339 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5340 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5341 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5342 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5344 return _IMP_core.Cover_set_value(self, *args)
5346 def remove_attribute(self, *args):
5348 remove_attribute(Cover self, FloatKey a0)
5349 remove_attribute(Cover self, IntKey a0)
5350 remove_attribute(Cover self, FloatsKey a0)
5351 remove_attribute(Cover self, IntsKey a0)
5352 remove_attribute(Cover self, StringKey a0)
5353 remove_attribute(Cover self, ParticleIndexKey a0)
5354 remove_attribute(Cover self, ObjectKey a0)
5355 remove_attribute(Cover self, SparseFloatKey a0)
5356 remove_attribute(Cover self, SparseIntKey a0)
5357 remove_attribute(Cover self, SparseStringKey a0)
5358 remove_attribute(Cover self, SparseParticleIndexKey a0)
5360 return _IMP_core.Cover_remove_attribute(self, *args)
5362 def has_attribute(self, *args):
5364 has_attribute(Cover self, FloatKey a0) -> bool
5365 has_attribute(Cover self, IntKey a0) -> bool
5366 has_attribute(Cover self, FloatsKey a0) -> bool
5367 has_attribute(Cover self, IntsKey a0) -> bool
5368 has_attribute(Cover self, StringKey a0) -> bool
5369 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5370 has_attribute(Cover self, ObjectKey a0) -> bool
5371 has_attribute(Cover self, SparseFloatKey a0) -> bool
5372 has_attribute(Cover self, SparseIntKey a0) -> bool
5373 has_attribute(Cover self, SparseStringKey a0) -> bool
5374 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5376 return _IMP_core.Cover_has_attribute(self, *args)
5378 def get_derivative(self, a0):
5379 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5380 return _IMP_core.Cover_get_derivative(self, a0)
5383 r"""get_name(Cover self) -> std::string"""
5384 return _IMP_core.Cover_get_name(self)
5386 def clear_caches(self):
5387 r"""clear_caches(Cover self)"""
5388 return _IMP_core.Cover_clear_caches(self)
5390 def set_name(self, a0):
5391 r"""set_name(Cover self, std::string a0)"""
5392 return _IMP_core.Cover_set_name(self, a0)
5395 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5396 return _IMP_core.Cover_set_check_level(self, a0)
5398 def add_to_derivative(self, a0, a1, a2):
5399 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5400 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5402 def set_is_optimized(self, a0, a1):
5403 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5404 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5406 def get_is_optimized(self, a0):
5407 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5408 return _IMP_core.Cover_get_is_optimized(self, a0)
5411 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5412 return _IMP_core.Cover_get_check_level(self)
5414 def __eq__(self, *args):
5416 __eq__(Cover self, Cover o) -> bool
5417 __eq__(Cover self, Particle d) -> bool
5419 return _IMP_core.Cover___eq__(self, *args)
5421 def __ne__(self, *args):
5423 __ne__(Cover self, Cover o) -> bool
5424 __ne__(Cover self, Particle d) -> bool
5426 return _IMP_core.Cover___ne__(self, *args)
5428 def __le__(self, *args):
5430 __le__(Cover self, Cover o) -> bool
5431 __le__(Cover self, Particle d) -> bool
5433 return _IMP_core.Cover___le__(self, *args)
5435 def __lt__(self, *args):
5437 __lt__(Cover self, Cover o) -> bool
5438 __lt__(Cover self, Particle d) -> bool
5440 return _IMP_core.Cover___lt__(self, *args)
5442 def __ge__(self, *args):
5444 __ge__(Cover self, Cover o) -> bool
5445 __ge__(Cover self, Particle d) -> bool
5447 return _IMP_core.Cover___ge__(self, *args)
5449 def __gt__(self, *args):
5451 __gt__(Cover self, Cover o) -> bool
5452 __gt__(Cover self, Particle d) -> bool
5454 return _IMP_core.Cover___gt__(self, *args)
5457 r"""__hash__(Cover self) -> std::size_t"""
5458 return _IMP_core.Cover___hash__(self)
5461 r"""__str__(Cover self) -> std::string"""
5462 return _IMP_core.Cover___str__(self)
5465 r"""__repr__(Cover self) -> std::string"""
5466 return _IMP_core.Cover___repr__(self)
5468 def _get_as_binary(self):
5469 r"""_get_as_binary(Cover self) -> PyObject *"""
5470 return _IMP_core.Cover__get_as_binary(self)
5472 def _set_from_binary(self, p):
5473 r"""_set_from_binary(Cover self, PyObject * p)"""
5474 return _IMP_core.Cover__set_from_binary(self, p)
5476 def __getstate__(self):
5477 p = self._get_as_binary()
5478 if len(self.__dict__) > 1:
5479 d = self.__dict__.copy()
5484 def __setstate__(self, p):
5485 if not hasattr(self,
'this'):
5487 if isinstance(p, tuple):
5489 self.__dict__.update(d)
5490 return self._set_from_binary(p)
5492 __swig_destroy__ = _IMP_core.delete_Cover
5495 _IMP_core.Cover_swigregister(Cover)
5497 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5499 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5501 def __init__(self, *args):
5502 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5503 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5505 def do_get_inputs(self, m, pis):
5506 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5507 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5509 def do_get_outputs(self, m, pis):
5510 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5511 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5513 def get_version_info(self):
5514 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5515 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5516 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5519 r"""__str__(DerivativesFromRefined self) -> std::string"""
5520 return _IMP_core.DerivativesFromRefined___str__(self)
5523 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5524 return _IMP_core.DerivativesFromRefined___repr__(self)
5528 return _object_cast_to_DerivativesFromRefined(o)
5532 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5534 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5538 def __init__(self, *args):
5540 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5541 __init__(DerivativesToRefined self) -> DerivativesToRefined
5543 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5545 def do_get_inputs(self, m, pis):
5546 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5547 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5549 def do_get_outputs(self, m, pis):
5550 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5551 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5553 def get_version_info(self):
5554 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5555 return _IMP_core.DerivativesToRefined_get_version_info(self)
5556 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5559 r"""__str__(DerivativesToRefined self) -> std::string"""
5560 return _IMP_core.DerivativesToRefined___str__(self)
5563 r"""__repr__(DerivativesToRefined self) -> std::string"""
5564 return _IMP_core.DerivativesToRefined___repr__(self)
5568 return _object_cast_to_DerivativesToRefined(o)
5571 def _get_as_binary(self):
5572 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5573 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5575 def _set_from_binary(self, p):
5576 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5577 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5579 def __getstate__(self):
5580 p = self._get_as_binary()
5581 if len(self.__dict__) > 1:
5582 d = self.__dict__.copy()
5587 def __setstate__(self, p):
5588 if not hasattr(self,
'this'):
5590 if isinstance(p, tuple):
5592 self.__dict__.update(d)
5593 return self._set_from_binary(p)
5597 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5599 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5603 def __init__(self, f, sc, diameter):
5604 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5605 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5607 def do_get_inputs(self):
5608 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5609 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5611 def get_version_info(self):
5612 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5613 return _IMP_core.DiameterRestraint_get_version_info(self)
5614 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5616 def do_create_decomposition(self):
5617 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5618 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5620 def do_create_current_decomposition(self):
5621 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5622 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5625 r"""__str__(DiameterRestraint self) -> std::string"""
5626 return _IMP_core.DiameterRestraint___str__(self)
5629 r"""__repr__(DiameterRestraint self) -> std::string"""
5630 return _IMP_core.DiameterRestraint___repr__(self)
5634 return _object_cast_to_DiameterRestraint(o)
5638 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5640 r"""Proxy of C++ IMP::core::Transform class."""
5642 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5644 def __init__(self, *args):
5646 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5647 __init__(Transform self) -> Transform
5649 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5651 def do_get_inputs(self, m, pis):
5652 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5653 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5655 def do_get_outputs(self, m, pis):
5656 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5657 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5659 def get_version_info(self):
5660 r"""get_version_info(Transform self) -> VersionInfo"""
5661 return _IMP_core.Transform_get_version_info(self)
5662 __swig_destroy__ = _IMP_core.delete_Transform
5665 r"""__str__(Transform self) -> std::string"""
5666 return _IMP_core.Transform___str__(self)
5669 r"""__repr__(Transform self) -> std::string"""
5670 return _IMP_core.Transform___repr__(self)
5674 return _object_cast_to_Transform(o)
5677 def _get_as_binary(self):
5678 r"""_get_as_binary(Transform self) -> PyObject *"""
5679 return _IMP_core.Transform__get_as_binary(self)
5681 def _set_from_binary(self, p):
5682 r"""_set_from_binary(Transform self, PyObject * p)"""
5683 return _IMP_core.Transform__set_from_binary(self, p)
5685 def __getstate__(self):
5686 p = self._get_as_binary()
5687 if len(self.__dict__) > 1:
5688 d = self.__dict__.copy()
5693 def __setstate__(self, p):
5694 if not hasattr(self,
'this'):
5696 if isinstance(p, tuple):
5698 self.__dict__.update(d)
5699 return self._set_from_binary(p)
5703 _IMP_core.Transform_swigregister(Transform)
5705 r"""Proxy of C++ IMP::core::Reference class."""
5707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5709 def __init__(self, *args):
5711 __init__(Reference self) -> Reference
5712 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5713 __init__(Reference self, _ParticleAdaptor d) -> Reference
5715 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5717 def show(self, *args):
5718 r"""show(Reference self, _ostream out=std::cout)"""
5719 return _IMP_core.Reference_show(self, *args)
5722 def setup_particle(*args):
5724 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5725 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5727 return _IMP_core.Reference_setup_particle(*args)
5729 def get_reference_particle(self):
5730 r"""get_reference_particle(Reference self) -> Particle"""
5731 return _IMP_core.Reference_get_reference_particle(self)
5734 def get_is_setup(*args):
5736 get_is_setup(_ParticleAdaptor p) -> bool
5737 get_is_setup(Model m, ParticleIndex pi) -> bool
5739 return _IMP_core.Reference_get_is_setup(*args)
5742 def get_reference_key():
5743 r"""get_reference_key() -> ParticleIndexKey"""
5744 return _IMP_core.Reference_get_reference_key()
5746 def add_attribute(self, *args):
5748 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5749 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5750 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5751 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5752 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5753 add_attribute(Reference self, StringKey a0, IMP::String a1)
5754 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5755 add_attribute(Reference self, ObjectKey a0, Object a1)
5756 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5757 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5758 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5759 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5761 return _IMP_core.Reference_add_attribute(self, *args)
5763 def get_value(self, *args):
5765 get_value(Reference self, FloatKey a0) -> IMP::Float
5766 get_value(Reference self, IntKey a0) -> IMP::Int
5767 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5768 get_value(Reference self, IntsKey a0) -> IMP::Ints
5769 get_value(Reference self, StringKey a0) -> IMP::String
5770 get_value(Reference self, ParticleIndexKey a0) -> Particle
5771 get_value(Reference self, ObjectKey a0) -> Object
5772 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5773 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5774 get_value(Reference self, SparseStringKey a0) -> IMP::String
5775 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5777 return _IMP_core.Reference_get_value(self, *args)
5779 def set_value(self, *args):
5781 set_value(Reference self, FloatKey a0, IMP::Float a1)
5782 set_value(Reference self, IntKey a0, IMP::Int a1)
5783 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5784 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5785 set_value(Reference self, StringKey a0, IMP::String a1)
5786 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5787 set_value(Reference self, ObjectKey a0, Object a1)
5788 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5789 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5790 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5791 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5793 return _IMP_core.Reference_set_value(self, *args)
5795 def remove_attribute(self, *args):
5797 remove_attribute(Reference self, FloatKey a0)
5798 remove_attribute(Reference self, IntKey a0)
5799 remove_attribute(Reference self, FloatsKey a0)
5800 remove_attribute(Reference self, IntsKey a0)
5801 remove_attribute(Reference self, StringKey a0)
5802 remove_attribute(Reference self, ParticleIndexKey a0)
5803 remove_attribute(Reference self, ObjectKey a0)
5804 remove_attribute(Reference self, SparseFloatKey a0)
5805 remove_attribute(Reference self, SparseIntKey a0)
5806 remove_attribute(Reference self, SparseStringKey a0)
5807 remove_attribute(Reference self, SparseParticleIndexKey a0)
5809 return _IMP_core.Reference_remove_attribute(self, *args)
5811 def has_attribute(self, *args):
5813 has_attribute(Reference self, FloatKey a0) -> bool
5814 has_attribute(Reference self, IntKey a0) -> bool
5815 has_attribute(Reference self, FloatsKey a0) -> bool
5816 has_attribute(Reference self, IntsKey a0) -> bool
5817 has_attribute(Reference self, StringKey a0) -> bool
5818 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5819 has_attribute(Reference self, ObjectKey a0) -> bool
5820 has_attribute(Reference self, SparseFloatKey a0) -> bool
5821 has_attribute(Reference self, SparseIntKey a0) -> bool
5822 has_attribute(Reference self, SparseStringKey a0) -> bool
5823 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5825 return _IMP_core.Reference_has_attribute(self, *args)
5827 def get_derivative(self, a0):
5828 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5829 return _IMP_core.Reference_get_derivative(self, a0)
5832 r"""get_name(Reference self) -> std::string"""
5833 return _IMP_core.Reference_get_name(self)
5835 def clear_caches(self):
5836 r"""clear_caches(Reference self)"""
5837 return _IMP_core.Reference_clear_caches(self)
5839 def set_name(self, a0):
5840 r"""set_name(Reference self, std::string a0)"""
5841 return _IMP_core.Reference_set_name(self, a0)
5844 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5845 return _IMP_core.Reference_set_check_level(self, a0)
5847 def add_to_derivative(self, a0, a1, a2):
5848 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5849 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5851 def set_is_optimized(self, a0, a1):
5852 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5853 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5855 def get_is_optimized(self, a0):
5856 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5857 return _IMP_core.Reference_get_is_optimized(self, a0)
5860 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5861 return _IMP_core.Reference_get_check_level(self)
5863 def __eq__(self, *args):
5865 __eq__(Reference self, Reference o) -> bool
5866 __eq__(Reference self, Particle d) -> bool
5868 return _IMP_core.Reference___eq__(self, *args)
5870 def __ne__(self, *args):
5872 __ne__(Reference self, Reference o) -> bool
5873 __ne__(Reference self, Particle d) -> bool
5875 return _IMP_core.Reference___ne__(self, *args)
5877 def __le__(self, *args):
5879 __le__(Reference self, Reference o) -> bool
5880 __le__(Reference self, Particle d) -> bool
5882 return _IMP_core.Reference___le__(self, *args)
5884 def __lt__(self, *args):
5886 __lt__(Reference self, Reference o) -> bool
5887 __lt__(Reference self, Particle d) -> bool
5889 return _IMP_core.Reference___lt__(self, *args)
5891 def __ge__(self, *args):
5893 __ge__(Reference self, Reference o) -> bool
5894 __ge__(Reference self, Particle d) -> bool
5896 return _IMP_core.Reference___ge__(self, *args)
5898 def __gt__(self, *args):
5900 __gt__(Reference self, Reference o) -> bool
5901 __gt__(Reference self, Particle d) -> bool
5903 return _IMP_core.Reference___gt__(self, *args)
5906 r"""__hash__(Reference self) -> std::size_t"""
5907 return _IMP_core.Reference___hash__(self)
5910 r"""__str__(Reference self) -> std::string"""
5911 return _IMP_core.Reference___str__(self)
5914 r"""__repr__(Reference self) -> std::string"""
5915 return _IMP_core.Reference___repr__(self)
5917 def _get_as_binary(self):
5918 r"""_get_as_binary(Reference self) -> PyObject *"""
5919 return _IMP_core.Reference__get_as_binary(self)
5921 def _set_from_binary(self, p):
5922 r"""_set_from_binary(Reference self, PyObject * p)"""
5923 return _IMP_core.Reference__set_from_binary(self, p)
5925 def __getstate__(self):
5926 p = self._get_as_binary()
5927 if len(self.__dict__) > 1:
5928 d = self.__dict__.copy()
5933 def __setstate__(self, p):
5934 if not hasattr(self,
'this'):
5936 if isinstance(p, tuple):
5938 self.__dict__.update(d)
5939 return self._set_from_binary(p)
5941 __swig_destroy__ = _IMP_core.delete_Reference
5944 _IMP_core.Reference_swigregister(Reference)
5946 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5948 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5950 def __init__(self, t, r):
5951 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5952 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5954 def do_get_inputs(self, m, pis):
5955 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5956 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5958 def do_get_outputs(self, m, pis):
5959 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5960 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5962 def get_version_info(self):
5963 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5964 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5965 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5968 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5969 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5972 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5973 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5977 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5981 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5983 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5987 def __init__(self, *args):
5989 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5990 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5992 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5994 def get_transformation(self):
5995 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5996 return _IMP_core.TransformationSymmetry_get_transformation(self)
5998 def set_transformation(self, t):
5999 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
6000 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
6002 def do_get_inputs(self, m, pis):
6003 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6004 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
6006 def do_get_outputs(self, m, pis):
6007 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6008 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
6010 def get_version_info(self):
6011 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
6012 return _IMP_core.TransformationSymmetry_get_version_info(self)
6013 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6016 r"""__str__(TransformationSymmetry self) -> std::string"""
6017 return _IMP_core.TransformationSymmetry___str__(self)
6020 r"""__repr__(TransformationSymmetry self) -> std::string"""
6021 return _IMP_core.TransformationSymmetry___repr__(self)
6025 return _object_cast_to_TransformationSymmetry(o)
6029 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6030 class TransformationSymmetryMover(MonteCarloMover):
6031 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6035 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6036 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6037 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6039 def set_maximum_translation(self, mt):
6040 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6041 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6043 def set_maximum_rotation(self, mr):
6044 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6045 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6047 def get_maximum_translation(self):
6048 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6049 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6051 def get_maximum_rotation(self):
6052 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6053 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6055 def get_version_info(self):
6056 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6057 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6058 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6061 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6062 return _IMP_core.TransformationSymmetryMover___str__(self)
6065 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6066 return _IMP_core.TransformationSymmetryMover___repr__(self)
6070 return _object_cast_to_TransformationSymmetryMover(o)
6074 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6076 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6080 def __init__(self, m, score_func, p1, p2, p3, p4):
6081 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6082 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6084 def do_get_inputs(self):
6085 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6086 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6088 def get_version_info(self):
6089 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6090 return _IMP_core.DihedralRestraint_get_version_info(self)
6091 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6094 r"""__str__(DihedralRestraint self) -> std::string"""
6095 return _IMP_core.DihedralRestraint___str__(self)
6098 r"""__repr__(DihedralRestraint self) -> std::string"""
6099 return _IMP_core.DihedralRestraint___repr__(self)
6103 return _object_cast_to_DihedralRestraint(o)
6107 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6109 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6113 def __init__(self, *args):
6115 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6116 __init__(DistancePairScore self) -> DistancePairScore
6118 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6120 def do_get_inputs(self, m, pis):
6121 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6122 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6124 def get_score_functor(self, *args):
6126 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6127 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6129 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6131 def get_version_info(self):
6132 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6133 return _IMP_core.DistancePairScore_get_version_info(self)
6134 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6137 r"""__str__(DistancePairScore self) -> std::string"""
6138 return _IMP_core.DistancePairScore___str__(self)
6141 r"""__repr__(DistancePairScore self) -> std::string"""
6142 return _IMP_core.DistancePairScore___repr__(self)
6146 return _object_cast_to_DistancePairScore(o)
6149 def _get_as_binary(self):
6150 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6151 return _IMP_core.DistancePairScore__get_as_binary(self)
6153 def _set_from_binary(self, p):
6154 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6155 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6157 def __getstate__(self):
6158 p = self._get_as_binary()
6159 if len(self.__dict__) > 1:
6160 d = self.__dict__.copy()
6165 def __setstate__(self, p):
6166 if not hasattr(self,
'this'):
6168 if isinstance(p, tuple):
6170 self.__dict__.update(d)
6171 return self._set_from_binary(p)
6174 def _get_jax(self, m, indexes, space):
6175 import jax.numpy
as jnp
6176 def jax_score(jm, uf):
6177 xyzs = jm[
'xyz'][indexes]
6178 diff = xyzs[:,0] - xyzs[:,1]
6179 drs = space.distance(diff)
6181 sfnc = self.get_score_functor()
6182 uf = sfnc.get_unary_function().get_derived_object()
6183 f = functools.partial(jax_score, uf=uf._get_jax())
6184 return self._wrap_jax(m, f)
6188 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6190 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6192 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6194 def __init__(self, *args):
6196 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6197 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6199 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6201 def do_get_inputs(self, m, pis):
6202 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6203 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6205 def get_score_functor(self, *args):
6207 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6208 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6210 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6213 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6214 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6217 r"""get_k(HarmonicDistancePairScore self) -> double"""
6218 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6220 def get_version_info(self):
6221 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6222 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6223 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6226 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6227 return _IMP_core.HarmonicDistancePairScore___str__(self)
6230 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6231 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6235 return _object_cast_to_HarmonicDistancePairScore(o)
6238 def _get_as_binary(self):
6239 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6240 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6242 def _set_from_binary(self, p):
6243 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6244 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6246 def __getstate__(self):
6247 p = self._get_as_binary()
6248 if len(self.__dict__) > 1:
6249 d = self.__dict__.copy()
6254 def __setstate__(self, p):
6255 if not hasattr(self,
'this'):
6257 if isinstance(p, tuple):
6259 self.__dict__.update(d)
6260 return self._set_from_binary(p)
6263 def _get_jax(self, m, indexes, space):
6264 import jax.numpy
as jnp
6265 def jax_harmonic_distance_pair_score(jm, d, k):
6266 xyzs = jm[
'xyz'][indexes]
6267 diff = xyzs[:,0] - xyzs[:,1]
6268 drs = space.distance(diff)
6269 return 0.5 * k * (d - drs)**2
6270 f = functools.partial(jax_harmonic_distance_pair_score,
6271 d=self.get_x0(), k=self.get_k())
6272 return self._wrap_jax(m, f)
6276 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6278 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6280 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6282 def __init__(self, *args):
6284 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6285 __init__(DistanceRestraint self) -> DistanceRestraint
6287 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6289 def get_score_object(self):
6290 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6291 return _IMP_core.DistanceRestraint_get_score_object(self)
6294 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6295 return _IMP_core.DistanceRestraint_get_index(self)
6297 def get_version_info(self):
6298 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6299 return _IMP_core.DistanceRestraint_get_version_info(self)
6300 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6303 r"""__str__(DistanceRestraint self) -> std::string"""
6304 return _IMP_core.DistanceRestraint___str__(self)
6307 r"""__repr__(DistanceRestraint self) -> std::string"""
6308 return _IMP_core.DistanceRestraint___repr__(self)
6312 return _object_cast_to_DistanceRestraint(o)
6315 def _get_as_binary(self):
6316 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6317 return _IMP_core.DistanceRestraint__get_as_binary(self)
6319 def _set_from_binary(self, p):
6320 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6321 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6323 def __getstate__(self):
6324 p = self._get_as_binary()
6325 if len(self.__dict__) > 1:
6326 d = self.__dict__.copy()
6331 def __setstate__(self, p):
6332 if not hasattr(self,
'this'):
6334 if isinstance(p, tuple):
6336 self.__dict__.update(d)
6337 return self._set_from_binary(p)
6340 def _get_jax(self, space):
6341 import jax.numpy
as jnp
6342 import IMP._jax_util
6343 ps = self.get_score_object()
6344 indexes = jnp.array([self.get_index()])
6345 ji = ps._get_jax(self.get_model(), indexes, space=space)
6347 return jnp.sum(ji.score_func(jm))
6348 return self._wrap_jax(score)
6352 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6354 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6358 def __init__(self, f, pt):
6359 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6360 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6362 def do_get_inputs(self, m, pis):
6363 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6364 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6366 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6367 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"""
6368 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6370 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6371 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"""
6372 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6374 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6375 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"""
6376 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6378 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6379 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"""
6380 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6382 def get_version_info(self):
6383 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6384 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6385 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6388 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6389 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6392 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6393 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6397 return _object_cast_to_SphereDistanceToSingletonScore(o)
6401 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6403 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6407 def __init__(self, *args):
6408 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6409 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6411 def do_get_inputs(self):
6412 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6413 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6415 def get_version_info(self):
6416 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6417 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6418 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6420 def do_create_decomposition(self):
6421 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6422 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6424 def do_create_current_decomposition(self):
6425 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6426 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6429 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6430 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6431 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)
6432 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6433 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6434 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6436 def remove_pair_filter(self, d):
6437 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6438 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6440 def _python_index_pair_filter(self, d, start, stop):
6441 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6442 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6444 def remove_pair_filters(self, d):
6445 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6446 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6448 def set_pair_filters(self, ps):
6449 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6450 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6452 def set_pair_filters_order(self, objs):
6453 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6454 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6456 def add_pair_filter(self, obj):
6457 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6458 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6460 def add_pair_filters(self, objs):
6461 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6462 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6464 def clear_pair_filters(self):
6465 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6466 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6468 def get_number_of_pair_filters(self):
6469 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6470 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6472 def get_has_pair_filters(self):
6473 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6474 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6476 def get_pair_filter(self, i):
6477 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6478 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6480 def get_pair_filters(self):
6481 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6482 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6484 def erase_pair_filter(self, i):
6485 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6486 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6488 def reserve_pair_filters(self, sz):
6489 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6490 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6493 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6494 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6497 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6498 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6502 return _object_cast_to_ExcludedVolumeRestraint(o)
6506 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6508 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6510 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6512 def __init__(self, *args):
6514 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6515 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6516 __init__(FixedRefiner self) -> FixedRefiner
6518 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6520 def do_get_inputs(self, m, pis):
6521 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6522 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6524 def get_version_info(self):
6525 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6526 return _IMP_core.FixedRefiner_get_version_info(self)
6527 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6530 r"""__str__(FixedRefiner self) -> std::string"""
6531 return _IMP_core.FixedRefiner___str__(self)
6534 r"""__repr__(FixedRefiner self) -> std::string"""
6535 return _IMP_core.FixedRefiner___repr__(self)
6539 return _object_cast_to_FixedRefiner(o)
6542 def _get_as_binary(self):
6543 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6544 return _IMP_core.FixedRefiner__get_as_binary(self)
6546 def _set_from_binary(self, p):
6547 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6548 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6550 def __getstate__(self):
6551 p = self._get_as_binary()
6552 if len(self.__dict__) > 1:
6553 d = self.__dict__.copy()
6558 def __setstate__(self, p):
6559 if not hasattr(self,
'this'):
6561 if isinstance(p, tuple):
6563 self.__dict__.update(d)
6564 return self._set_from_binary(p)
6568 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6569 class GridClosePairsFinder(ClosePairsFinder):
6570 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6575 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6576 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6578 def get_close_pairs(self, *args):
6580 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6581 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6582 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6583 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6585 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6587 def do_get_inputs(self, m, pis):
6588 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6589 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6591 def get_version_info(self):
6592 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6593 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6594 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6597 r"""__str__(GridClosePairsFinder self) -> std::string"""
6598 return _IMP_core.GridClosePairsFinder___str__(self)
6601 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6602 return _IMP_core.GridClosePairsFinder___repr__(self)
6606 return _object_cast_to_GridClosePairsFinder(o)
6609 def _get_as_binary(self):
6610 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6611 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6613 def _set_from_binary(self, p):
6614 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6615 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6617 def __getstate__(self):
6618 p = self._get_as_binary()
6619 if len(self.__dict__) > 1:
6620 d = self.__dict__.copy()
6625 def __setstate__(self, p):
6626 if not hasattr(self,
'this'):
6628 if isinstance(p, tuple):
6630 self.__dict__.update(d)
6631 return self._set_from_binary(p)
6635 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6637 r"""Proxy of C++ IMP::core::Harmonic class."""
6639 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6641 def __init__(self, *args):
6643 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6644 __init__(Harmonic self) -> Harmonic
6646 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6648 def get_version_info(self):
6649 r"""get_version_info(Harmonic self) -> VersionInfo"""
6650 return _IMP_core.Harmonic_get_version_info(self)
6651 __swig_destroy__ = _IMP_core.delete_Harmonic
6654 r"""get_mean(Harmonic self) -> IMP::Float"""
6655 return _IMP_core.Harmonic_get_mean(self)
6658 r"""get_k(Harmonic self) -> IMP::Float"""
6659 return _IMP_core.Harmonic_get_k(self)
6661 def set_mean(self, mean):
6662 r"""set_mean(Harmonic self, IMP::Float mean)"""
6663 return _IMP_core.Harmonic_set_mean(self, mean)
6666 r"""set_k(Harmonic self, IMP::Float k)"""
6667 return _IMP_core.Harmonic_set_k(self, k)
6670 def get_k_from_standard_deviation(sd, t=297.15):
6671 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6672 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6675 r"""__str__(Harmonic self) -> std::string"""
6676 return _IMP_core.Harmonic___str__(self)
6679 r"""__repr__(Harmonic self) -> std::string"""
6680 return _IMP_core.Harmonic___repr__(self)
6684 return _object_cast_to_Harmonic(o)
6687 def _get_as_binary(self):
6688 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6689 return _IMP_core.Harmonic__get_as_binary(self)
6691 def _set_from_binary(self, p):
6692 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6693 return _IMP_core.Harmonic__set_from_binary(self, p)
6695 def __getstate__(self):
6696 p = self._get_as_binary()
6697 if len(self.__dict__) > 1:
6698 d = self.__dict__.copy()
6703 def __setstate__(self, p):
6704 if not hasattr(self,
'this'):
6706 if isinstance(p, tuple):
6708 self.__dict__.update(d)
6709 return self._set_from_binary(p)
6713 def score(val, mean, k):
6714 return 0.5 * k * (mean - val) ** 2
6715 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6719 _IMP_core.Harmonic_swigregister(Harmonic)
6721 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6723 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6725 def __init__(self, well, k):
6726 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6727 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6730 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6731 return _IMP_core.HarmonicWell_get_well(self)
6734 r"""get_k(HarmonicWell self) -> double"""
6735 return _IMP_core.HarmonicWell_get_k(self)
6737 def get_version_info(self):
6738 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6739 return _IMP_core.HarmonicWell_get_version_info(self)
6740 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6743 r"""__str__(HarmonicWell self) -> std::string"""
6744 return _IMP_core.HarmonicWell___str__(self)
6747 r"""__repr__(HarmonicWell self) -> std::string"""
6748 return _IMP_core.HarmonicWell___repr__(self)
6752 return _object_cast_to_HarmonicWell(o)
6756 import jax.numpy
as jnp
6757 def score(val, lb, ub, k):
6758 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6759 well = self.get_well()
6760 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6764 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6765 class HarmonicLowerBound(Harmonic):
6766 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6768 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6770 def __init__(self, *args):
6772 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6773 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6775 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6776 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6779 r"""__str__(HarmonicLowerBound self) -> std::string"""
6780 return _IMP_core.HarmonicLowerBound___str__(self)
6783 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6784 return _IMP_core.HarmonicLowerBound___repr__(self)
6788 return _object_cast_to_HarmonicLowerBound(o)
6791 def _get_as_binary(self):
6792 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6793 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6795 def _set_from_binary(self, p):
6796 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6797 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6799 def __getstate__(self):
6800 p = self._get_as_binary()
6801 if len(self.__dict__) > 1:
6802 d = self.__dict__.copy()
6807 def __setstate__(self, p):
6808 if not hasattr(self,
'this'):
6810 if isinstance(p, tuple):
6812 self.__dict__.update(d)
6813 return self._set_from_binary(p)
6818 def score(val, mean, k):
6819 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6820 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6824 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6825 class HarmonicUpperBound(Harmonic):
6826 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6828 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6830 def __init__(self, *args):
6832 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6833 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6835 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6836 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6839 r"""__str__(HarmonicUpperBound self) -> std::string"""
6840 return _IMP_core.HarmonicUpperBound___str__(self)
6843 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6844 return _IMP_core.HarmonicUpperBound___repr__(self)
6848 return _object_cast_to_HarmonicUpperBound(o)
6851 def _get_as_binary(self):
6852 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6853 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6855 def _set_from_binary(self, p):
6856 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6857 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6859 def __getstate__(self):
6860 p = self._get_as_binary()
6861 if len(self.__dict__) > 1:
6862 d = self.__dict__.copy()
6867 def __setstate__(self, p):
6868 if not hasattr(self,
'this'):
6870 if isinstance(p, tuple):
6872 self.__dict__.update(d)
6873 return self._set_from_binary(p)
6878 def score(val, mean, k):
6879 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6880 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6884 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6886 r"""Proxy of C++ IMP::core::WeightedSum class."""
6888 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6890 def __init__(self, funcs, weights):
6891 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6892 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6894 def get_function_number(self):
6895 r"""get_function_number(WeightedSum self) -> unsigned int"""
6896 return _IMP_core.WeightedSum_get_function_number(self)
6898 def set_weights(self, weights):
6899 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6900 return _IMP_core.WeightedSum_set_weights(self, weights)
6902 def get_weights(self):
6903 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6904 return _IMP_core.WeightedSum_get_weights(self)
6906 def get_weight(self, i):
6907 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6908 return _IMP_core.WeightedSum_get_weight(self, i)
6910 def get_function(self, i):
6911 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6912 return _IMP_core.WeightedSum_get_function(self, i)
6914 def get_version_info(self):
6915 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6916 return _IMP_core.WeightedSum_get_version_info(self)
6917 __swig_destroy__ = _IMP_core.delete_WeightedSum
6920 r"""__str__(WeightedSum self) -> std::string"""
6921 return _IMP_core.WeightedSum___str__(self)
6924 r"""__repr__(WeightedSum self) -> std::string"""
6925 return _IMP_core.WeightedSum___repr__(self)
6929 return _object_cast_to_WeightedSum(o)
6933 import jax.numpy
as jnp
6934 def score(val, funcs, weights):
6935 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6936 nfunc = self.get_function_number()
6937 funcs = [self.get_function(i).get_derived_object()._get_jax()
6938 for i
in range(nfunc)]
6939 return functools.partial(score, funcs=funcs,
6940 weights=self.get_weights())
6944 _IMP_core.WeightedSum_swigregister(WeightedSum)
6946 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6948 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6950 def __init__(self, funcs, weights, denom=1.0):
6951 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6952 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6954 def get_function_number(self):
6955 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6956 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6958 def set_weights(self, weights):
6959 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6960 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6962 def get_weights(self):
6963 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6964 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6966 def get_weight(self, i):
6967 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6968 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6970 def get_function(self, i):
6971 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6972 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6974 def set_denominator(self, denom):
6975 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6976 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6978 def get_denominator(self):
6979 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6980 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6982 def get_version_info(self):
6983 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6984 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6985 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6988 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6989 return _IMP_core.WeightedSumOfExponential___str__(self)
6992 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6993 return _IMP_core.WeightedSumOfExponential___repr__(self)
6997 return _object_cast_to_WeightedSumOfExponential(o)
7001 import jax.numpy
as jnp
7002 def score(val, funcs, weights, denom):
7003 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
7004 for (f, weight)
in zip(funcs, weights))
7005 return -jnp.log(exp_sum) * denom
7006 nfunc = self.get_function_number()
7007 funcs = [self.get_function(i).get_derived_object()._get_jax()
7008 for i
in range(nfunc)]
7009 return functools.partial(score, funcs=funcs,
7010 weights=self.get_weights(),
7011 denom=self.get_denominator())
7015 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7017 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7019 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7021 def __init__(self, m, ps, eps=0.1):
7022 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7023 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7025 def add_type(self, ps):
7026 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7027 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7029 def add_composite(self, *args):
7031 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7032 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7034 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7036 def get_connected_pairs(self):
7037 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7038 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7040 def get_pair_score(self):
7041 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7042 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7044 def do_create_current_decomposition(self):
7045 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7046 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7048 def do_get_inputs(self):
7049 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7050 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7052 def get_version_info(self):
7053 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7054 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7055 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7058 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7059 return _IMP_core.MSConnectivityRestraint___str__(self)
7062 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7063 return _IMP_core.MSConnectivityRestraint___repr__(self)
7067 return _object_cast_to_MSConnectivityRestraint(o)
7071 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7072 class HierarchyTraits(object):
7073 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7077 def __init__(self, *args):
7079 __init__(HierarchyTraits self) -> HierarchyTraits
7080 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7082 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7084 def get_children_key(self):
7085 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7086 return _IMP_core.HierarchyTraits_get_children_key(self)
7088 def get_parent_key(self):
7089 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7090 return _IMP_core.HierarchyTraits_get_parent_key(self)
7092 def __eq__(self, o):
7093 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7094 return _IMP_core.HierarchyTraits___eq__(self, o)
7096 def show(self, *args):
7097 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7098 return _IMP_core.HierarchyTraits_show(self, *args)
7101 r"""__str__(HierarchyTraits self) -> std::string"""
7102 return _IMP_core.HierarchyTraits___str__(self)
7105 r"""__repr__(HierarchyTraits self) -> std::string"""
7106 return _IMP_core.HierarchyTraits___repr__(self)
7107 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7110 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7112 r"""Proxy of C++ IMP::core::Hierarchy class."""
7114 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7116 def get_decorator_traits(self):
7117 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7118 return _IMP_core.Hierarchy_get_decorator_traits(self)
7121 def get_default_decorator_traits():
7122 r"""get_default_decorator_traits() -> HierarchyTraits"""
7123 return _IMP_core.Hierarchy_get_default_decorator_traits()
7125 def __init__(self, *args):
7127 __init__(Hierarchy self) -> Hierarchy
7128 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7129 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7131 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7133 def show(self, *args):
7134 r"""show(Hierarchy self, _ostream out=std::cout)"""
7135 return _IMP_core.Hierarchy_show(self, *args)
7138 def setup_particle(*args):
7140 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7141 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7142 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7143 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7144 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7145 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7147 return _IMP_core.Hierarchy_setup_particle(*args)
7150 def get_is_setup(*args):
7152 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7153 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7155 return _IMP_core.Hierarchy_get_is_setup(*args)
7158 def get_changed_key():
7159 r"""get_changed_key() -> TriggerKey"""
7160 return _IMP_core.Hierarchy_get_changed_key()
7162 def get_parent(self):
7163 r"""get_parent(Hierarchy self) -> Hierarchy"""
7164 return _IMP_core.Hierarchy_get_parent(self)
7166 def get_number_of_children(self):
7167 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7168 return _IMP_core.Hierarchy_get_number_of_children(self)
7170 def get_child(self, i):
7171 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7172 return _IMP_core.Hierarchy_get_child(self, i)
7174 def get_children_indexes(self):
7175 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7176 return _IMP_core.Hierarchy_get_children_indexes(self)
7178 def get_children(self):
7179 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7180 return _IMP_core.Hierarchy_get_children(self)
7182 def remove_child(self, *args):
7184 remove_child(Hierarchy self, unsigned int i)
7185 remove_child(Hierarchy self, Hierarchy h)
7187 return _IMP_core.Hierarchy_remove_child(self, *args)
7189 def clear_children(self):
7190 r"""clear_children(Hierarchy self)"""
7191 return _IMP_core.Hierarchy_clear_children(self)
7193 def add_child(self, h):
7194 r"""add_child(Hierarchy self, Hierarchy h)"""
7195 return _IMP_core.Hierarchy_add_child(self, h)
7197 def add_child_at(self, h, pos):
7198 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7199 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7201 def get_child_index(self, *args):
7203 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7204 get_child_index(Hierarchy self) -> int
7206 return _IMP_core.Hierarchy_get_child_index(self, *args)
7209 def get_default_traits():
7210 r"""get_default_traits() -> HierarchyTraits"""
7211 return _IMP_core.Hierarchy_get_default_traits()
7213 def get_traits(self):
7214 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7215 return _IMP_core.Hierarchy_get_traits(self)
7217 def add_attribute(self, *args):
7219 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7220 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7221 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7222 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7223 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7224 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7225 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7226 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7227 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7228 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7229 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7230 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7232 return _IMP_core.Hierarchy_add_attribute(self, *args)
7234 def get_value(self, *args):
7236 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7237 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7238 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7239 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7240 get_value(Hierarchy self, StringKey a0) -> IMP::String
7241 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7242 get_value(Hierarchy self, ObjectKey a0) -> Object
7243 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7244 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7245 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7246 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7248 return _IMP_core.Hierarchy_get_value(self, *args)
7250 def set_value(self, *args):
7252 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7253 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7254 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7255 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7256 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7257 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7258 set_value(Hierarchy self, ObjectKey a0, Object a1)
7259 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7260 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7261 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7262 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7264 return _IMP_core.Hierarchy_set_value(self, *args)
7266 def remove_attribute(self, *args):
7268 remove_attribute(Hierarchy self, FloatKey a0)
7269 remove_attribute(Hierarchy self, IntKey a0)
7270 remove_attribute(Hierarchy self, FloatsKey a0)
7271 remove_attribute(Hierarchy self, IntsKey a0)
7272 remove_attribute(Hierarchy self, StringKey a0)
7273 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7274 remove_attribute(Hierarchy self, ObjectKey a0)
7275 remove_attribute(Hierarchy self, SparseFloatKey a0)
7276 remove_attribute(Hierarchy self, SparseIntKey a0)
7277 remove_attribute(Hierarchy self, SparseStringKey a0)
7278 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7280 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7282 def has_attribute(self, *args):
7284 has_attribute(Hierarchy self, FloatKey a0) -> bool
7285 has_attribute(Hierarchy self, IntKey a0) -> bool
7286 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7287 has_attribute(Hierarchy self, IntsKey a0) -> bool
7288 has_attribute(Hierarchy self, StringKey a0) -> bool
7289 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7290 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7291 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7292 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7293 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7294 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7296 return _IMP_core.Hierarchy_has_attribute(self, *args)
7298 def get_derivative(self, a0):
7299 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7300 return _IMP_core.Hierarchy_get_derivative(self, a0)
7303 r"""get_name(Hierarchy self) -> std::string"""
7304 return _IMP_core.Hierarchy_get_name(self)
7306 def clear_caches(self):
7307 r"""clear_caches(Hierarchy self)"""
7308 return _IMP_core.Hierarchy_clear_caches(self)
7310 def set_name(self, a0):
7311 r"""set_name(Hierarchy self, std::string a0)"""
7312 return _IMP_core.Hierarchy_set_name(self, a0)
7315 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7316 return _IMP_core.Hierarchy_set_check_level(self, a0)
7318 def add_to_derivative(self, a0, a1, a2):
7319 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7320 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7322 def set_is_optimized(self, a0, a1):
7323 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7324 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7326 def get_is_optimized(self, a0):
7327 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7328 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7331 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7332 return _IMP_core.Hierarchy_get_check_level(self)
7334 def __eq__(self, *args):
7336 __eq__(Hierarchy self, Hierarchy o) -> bool
7337 __eq__(Hierarchy self, Particle d) -> bool
7339 return _IMP_core.Hierarchy___eq__(self, *args)
7341 def __ne__(self, *args):
7343 __ne__(Hierarchy self, Hierarchy o) -> bool
7344 __ne__(Hierarchy self, Particle d) -> bool
7346 return _IMP_core.Hierarchy___ne__(self, *args)
7348 def __le__(self, *args):
7350 __le__(Hierarchy self, Hierarchy o) -> bool
7351 __le__(Hierarchy self, Particle d) -> bool
7353 return _IMP_core.Hierarchy___le__(self, *args)
7355 def __lt__(self, *args):
7357 __lt__(Hierarchy self, Hierarchy o) -> bool
7358 __lt__(Hierarchy self, Particle d) -> bool
7360 return _IMP_core.Hierarchy___lt__(self, *args)
7362 def __ge__(self, *args):
7364 __ge__(Hierarchy self, Hierarchy o) -> bool
7365 __ge__(Hierarchy self, Particle d) -> bool
7367 return _IMP_core.Hierarchy___ge__(self, *args)
7369 def __gt__(self, *args):
7371 __gt__(Hierarchy self, Hierarchy o) -> bool
7372 __gt__(Hierarchy self, Particle d) -> bool
7374 return _IMP_core.Hierarchy___gt__(self, *args)
7377 r"""__hash__(Hierarchy self) -> std::size_t"""
7378 return _IMP_core.Hierarchy___hash__(self)
7381 r"""__str__(Hierarchy self) -> std::string"""
7382 return _IMP_core.Hierarchy___str__(self)
7385 r"""__repr__(Hierarchy self) -> std::string"""
7386 return _IMP_core.Hierarchy___repr__(self)
7387 __swig_destroy__ = _IMP_core.delete_Hierarchy
7390 _IMP_core.Hierarchy_swigregister(Hierarchy)
7391 class HierarchyVisitor(object):
7392 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7394 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7395 __repr__ = _swig_repr
7398 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7399 if self.__class__ == HierarchyVisitor:
7403 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7405 if self.__class__ != HierarchyVisitor:
7406 _director_objects.register(self)
7411 def __call__(self, p):
7412 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7413 return _IMP_core.HierarchyVisitor___call__(self, p)
7414 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7415 def __disown__(self):
7417 _IMP_core.disown_HierarchyVisitor(self)
7418 return weakref.proxy(self)
7421 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7422 class ModifierVisitor(HierarchyVisitor):
7423 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7426 __repr__ = _swig_repr
7428 def __init__(self, sm):
7429 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7430 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7431 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7434 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7435 class HierarchyCounter(HierarchyVisitor):
7436 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7438 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7441 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7442 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7444 def get_count(self):
7445 r"""get_count(HierarchyCounter self) -> unsigned int"""
7446 return _IMP_core.HierarchyCounter_get_count(self)
7448 def show(self, *args):
7449 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7450 return _IMP_core.HierarchyCounter_show(self, *args)
7453 r"""__str__(HierarchyCounter self) -> std::string"""
7454 return _IMP_core.HierarchyCounter___str__(self)
7457 r"""__repr__(HierarchyCounter self) -> std::string"""
7458 return _IMP_core.HierarchyCounter___repr__(self)
7460 def _get_as_binary(self):
7461 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7462 return _IMP_core.HierarchyCounter__get_as_binary(self)
7464 def _set_from_binary(self, p):
7465 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7466 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7468 def __getstate__(self):
7469 p = self._get_as_binary()
7470 if len(self.__dict__) > 1:
7471 d = self.__dict__.copy()
7476 def __setstate__(self, p):
7477 if not hasattr(self,
'this'):
7479 if isinstance(p, tuple):
7481 self.__dict__.update(d)
7482 return self._set_from_binary(p)
7484 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7487 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7490 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7491 return _IMP_core.get_leaves(mhd)
7494 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7495 return _IMP_core.get_internal(mhd)
7498 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7499 return _IMP_core.get_all_descendants(mhd)
7502 r"""get_root(Hierarchy h) -> Hierarchy"""
7503 return _IMP_core.get_root(h)
7506 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7507 return _IMP_core.visit_breadth_first(d, f)
7510 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7511 return _IMP_core.visit_depth_first(d, f)
7513 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7515 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7517 def __init__(self, tr):
7518 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7519 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7521 def do_get_inputs(self, m, pis):
7522 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7523 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7525 def get_version_info(self):
7526 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7527 return _IMP_core.LeavesRefiner_get_version_info(self)
7528 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7531 r"""__str__(LeavesRefiner self) -> std::string"""
7532 return _IMP_core.LeavesRefiner___str__(self)
7535 r"""__repr__(LeavesRefiner self) -> std::string"""
7536 return _IMP_core.LeavesRefiner___repr__(self)
7540 return _object_cast_to_LeavesRefiner(o)
7544 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7546 r"""Proxy of C++ IMP::core::Linear class."""
7548 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7550 def __init__(self, *args):
7552 __init__(Linear self, double offset, double slope) -> Linear
7553 __init__(Linear self) -> Linear
7555 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7557 def set_slope(self, f):
7558 r"""set_slope(Linear self, double f)"""
7559 return _IMP_core.Linear_set_slope(self, f)
7561 def get_slope(self):
7562 r"""get_slope(Linear self) -> double"""
7563 return _IMP_core.Linear_get_slope(self)
7565 def set_offset(self, f):
7566 r"""set_offset(Linear self, double f)"""
7567 return _IMP_core.Linear_set_offset(self, f)
7569 def get_offset(self):
7570 r"""get_offset(Linear self) -> double"""
7571 return _IMP_core.Linear_get_offset(self)
7573 def get_version_info(self):
7574 r"""get_version_info(Linear self) -> VersionInfo"""
7575 return _IMP_core.Linear_get_version_info(self)
7576 __swig_destroy__ = _IMP_core.delete_Linear
7579 r"""__str__(Linear self) -> std::string"""
7580 return _IMP_core.Linear___str__(self)
7583 r"""__repr__(Linear self) -> std::string"""
7584 return _IMP_core.Linear___repr__(self)
7588 return _object_cast_to_Linear(o)
7591 def _get_as_binary(self):
7592 r"""_get_as_binary(Linear self) -> PyObject *"""
7593 return _IMP_core.Linear__get_as_binary(self)
7595 def _set_from_binary(self, p):
7596 r"""_set_from_binary(Linear self, PyObject * p)"""
7597 return _IMP_core.Linear__set_from_binary(self, p)
7599 def __getstate__(self):
7600 p = self._get_as_binary()
7601 if len(self.__dict__) > 1:
7602 d = self.__dict__.copy()
7607 def __setstate__(self, p):
7608 if not hasattr(self,
'this'):
7610 if isinstance(p, tuple):
7612 self.__dict__.update(d)
7613 return self._set_from_binary(p)
7617 def score(val, slope, offset):
7618 return (val - offset) * slope
7619 return functools.partial(score, slope=self.get_slope(),
7620 offset=self.get_offset())
7624 _IMP_core.Linear_swigregister(Linear)
7625 class LogNormalMover(MonteCarloMover):
7626 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7628 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7630 def __init__(self, *args):
7632 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7633 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7634 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7635 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7636 __init__(LogNormalMover self) -> LogNormalMover
7638 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7640 def set_sigma(self, sigma):
7641 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7642 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7644 def get_sigma(self):
7645 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7646 return _IMP_core.LogNormalMover_get_sigma(self)
7649 r"""get_indexes(LogNormalMover self) -> IMP::ParticleIndexes"""
7650 return _IMP_core.LogNormalMover_get_indexes(self)
7653 r"""get_keys(LogNormalMover self) -> IMP::FloatKeys"""
7654 return _IMP_core.LogNormalMover_get_keys(self)
7656 def get_version_info(self):
7657 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7658 return _IMP_core.LogNormalMover_get_version_info(self)
7659 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7662 r"""__str__(LogNormalMover self) -> std::string"""
7663 return _IMP_core.LogNormalMover___str__(self)
7666 r"""__repr__(LogNormalMover self) -> std::string"""
7667 return _IMP_core.LogNormalMover___repr__(self)
7671 return _object_cast_to_LogNormalMover(o)
7674 def _get_as_binary(self):
7675 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7676 return _IMP_core.LogNormalMover__get_as_binary(self)
7678 def _set_from_binary(self, p):
7679 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7680 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7682 def __getstate__(self):
7683 p = self._get_as_binary()
7684 if len(self.__dict__) > 1:
7685 d = self.__dict__.copy()
7690 def __setstate__(self, p):
7691 if not hasattr(self,
'this'):
7693 if isinstance(p, tuple):
7695 self.__dict__.update(d)
7696 return self._set_from_binary(p)
7699 def _get_jax(self, space):
7701 from IMP.core._jax_util
import _get_offset_propose_func
7702 keys = self.get_keys()
7703 sigma = self.get_sigma()
7705 def offset_func(key, shape):
7706 key, subkey = jax.random.split(key)
7707 return key, jax.random.lognormal(subkey, sigma, shape)
7709 propose_func, keys = _get_offset_propose_func(
7710 self.get_indexes(), keys, offset_func)
7712 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
7716 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7717 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7720 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7722 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7724 def __init__(self, *args):
7726 __init__(MonteCarlo self, Model m) -> MonteCarlo
7727 __init__(MonteCarlo self) -> MonteCarlo
7729 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7731 def get_version_info(self):
7732 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7733 return _IMP_core.MonteCarlo_get_version_info(self)
7734 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7736 def set_return_best(self, tf):
7737 r"""set_return_best(MonteCarlo self, bool tf)"""
7738 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7740 def get_return_best(self):
7741 r"""get_return_best(MonteCarlo self) -> bool"""
7742 return _IMP_core.MonteCarlo_get_return_best(self)
7744 def set_score_moved(self, mv):
7745 r"""set_score_moved(MonteCarlo self, bool mv)"""
7746 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7748 def set_kt(self, t):
7749 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7750 return _IMP_core.MonteCarlo_set_kt(self, t)
7753 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7754 return _IMP_core.MonteCarlo_get_kt(self)
7756 def get_last_accepted_energy(self):
7757 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7758 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7760 def set_last_accepted_energy(self, energy):
7761 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7762 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7764 def get_best_accepted_energy(self):
7765 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7766 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7768 def set_best_accepted_energy(self, energy):
7769 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7770 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7772 def get_number_of_downward_steps(self):
7773 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7774 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7776 def get_number_of_upward_steps(self):
7777 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7778 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7780 def get_number_of_proposed_steps(self):
7781 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7782 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7784 def get_number_of_accepted_steps(self):
7785 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7786 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7788 def set_number_of_downward_steps(self, nsteps):
7789 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7790 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7792 def set_number_of_upward_steps(self, nsteps):
7793 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7794 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7796 def set_number_of_rejected_steps(self, nsteps):
7797 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7798 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7800 def reset_statistics(self):
7801 r"""reset_statistics(MonteCarlo self)"""
7802 return _IMP_core.MonteCarlo_reset_statistics(self)
7804 def set_score_threshold(self, s):
7805 r"""set_score_threshold(MonteCarlo self, double s)"""
7806 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7808 def get_score_threshold(self):
7809 r"""get_score_threshold(MonteCarlo self) -> double"""
7810 return _IMP_core.MonteCarlo_get_score_threshold(self)
7812 def set_maximum_difference(self, d):
7813 r"""set_maximum_difference(MonteCarlo self, double d)"""
7814 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7816 def get_maximum_difference(self):
7817 r"""get_maximum_difference(MonteCarlo self) -> double"""
7818 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7819 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)
7820 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7821 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7822 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7824 def remove_mover(self, d):
7825 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7826 return _IMP_core.MonteCarlo_remove_mover(self, d)
7828 def _python_index_mover(self, d, start, stop):
7829 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7830 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7832 def remove_movers(self, d):
7833 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7834 return _IMP_core.MonteCarlo_remove_movers(self, d)
7836 def set_movers(self, ps):
7837 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7838 return _IMP_core.MonteCarlo_set_movers(self, ps)
7840 def set_movers_order(self, objs):
7841 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7842 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7844 def add_mover(self, obj):
7845 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7846 return _IMP_core.MonteCarlo_add_mover(self, obj)
7848 def add_movers(self, objs):
7849 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7850 return _IMP_core.MonteCarlo_add_movers(self, objs)
7852 def clear_movers(self):
7853 r"""clear_movers(MonteCarlo self)"""
7854 return _IMP_core.MonteCarlo_clear_movers(self)
7856 def get_number_of_movers(self):
7857 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7858 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7860 def get_has_movers(self):
7861 r"""get_has_movers(MonteCarlo self) -> bool"""
7862 return _IMP_core.MonteCarlo_get_has_movers(self)
7864 def get_mover(self, i):
7865 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7866 return _IMP_core.MonteCarlo_get_mover(self, i)
7868 def get_movers(self):
7869 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7870 return _IMP_core.MonteCarlo_get_movers(self)
7872 def erase_mover(self, i):
7873 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7874 return _IMP_core.MonteCarlo_erase_mover(self, i)
7876 def reserve_movers(self, sz):
7877 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7878 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7881 r"""__str__(MonteCarlo self) -> std::string"""
7882 return _IMP_core.MonteCarlo___str__(self)
7885 r"""__repr__(MonteCarlo self) -> std::string"""
7886 return _IMP_core.MonteCarlo___repr__(self)
7890 return _object_cast_to_MonteCarlo(o)
7893 def _get_as_binary(self):
7894 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7895 return _IMP_core.MonteCarlo__get_as_binary(self)
7897 def _set_from_binary(self, p):
7898 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7899 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7901 def __getstate__(self):
7902 p = self._get_as_binary()
7903 if len(self.__dict__) > 1:
7904 d = self.__dict__.copy()
7909 def __setstate__(self, p):
7910 if not hasattr(self,
'this'):
7912 if isinstance(p, tuple):
7914 self.__dict__.update(d)
7915 return self._set_from_binary(p)
7918 def _get_jax(self, space=None):
7919 from IMP.core._jax_util
import _MCJAXInfo
7920 return _MCJAXInfo(self, space)
7922 def _get_jax_optimizer(self, max_steps, space=None):
7923 import IMP.core._jax_util
7924 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps, space)
7926 def _optimize_jax(self, max_steps, space=None):
7927 opt = self._get_jax_optimizer(max_steps, space=space)
7928 score, mc_state = opt.optimize(opt.get_initial_state())
7933 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7934 class MonteCarloWithLocalOptimization(MonteCarlo):
7935 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7937 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7939 def __init__(self, opt, steps):
7940 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7941 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7943 def get_number_of_steps(self):
7944 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7945 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7947 def get_local_optimizer(self):
7948 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7949 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7950 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7953 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7954 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7957 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7958 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7962 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7966 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7967 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7968 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7970 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7972 def __init__(self, opt, ns):
7973 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7974 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7975 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7978 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7979 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7982 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7983 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7987 return _object_cast_to_MonteCarloWithBasinHopping(o)
7991 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7993 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7995 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7997 def __init__(self, *args):
7998 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7999 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
8001 def get_neighbors(self, pi):
8002 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
8003 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
8005 def get_version_info(self):
8006 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
8007 return _IMP_core.NeighborsTable_get_version_info(self)
8008 __swig_destroy__ = _IMP_core.delete_NeighborsTable
8011 r"""__str__(NeighborsTable self) -> std::string"""
8012 return _IMP_core.NeighborsTable___str__(self)
8015 r"""__repr__(NeighborsTable self) -> std::string"""
8016 return _IMP_core.NeighborsTable___repr__(self)
8020 return _object_cast_to_NeighborsTable(o)
8024 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
8025 class NormalMover(MonteCarloMover):
8026 r"""Proxy of C++ IMP::core::NormalMover class."""
8028 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8030 def __init__(self, *args):
8032 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8033 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8034 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8035 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8036 __init__(NormalMover self) -> NormalMover
8038 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8040 def set_sigma(self, sigma):
8041 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8042 return _IMP_core.NormalMover_set_sigma(self, sigma)
8044 def get_sigma(self):
8045 r"""get_sigma(NormalMover self) -> IMP::Float"""
8046 return _IMP_core.NormalMover_get_sigma(self)
8049 r"""get_indexes(NormalMover self) -> IMP::ParticleIndexes"""
8050 return _IMP_core.NormalMover_get_indexes(self)
8053 r"""get_keys(NormalMover self) -> IMP::FloatKeys"""
8054 return _IMP_core.NormalMover_get_keys(self)
8056 def get_version_info(self):
8057 r"""get_version_info(NormalMover self) -> VersionInfo"""
8058 return _IMP_core.NormalMover_get_version_info(self)
8059 __swig_destroy__ = _IMP_core.delete_NormalMover
8062 r"""__str__(NormalMover self) -> std::string"""
8063 return _IMP_core.NormalMover___str__(self)
8066 r"""__repr__(NormalMover self) -> std::string"""
8067 return _IMP_core.NormalMover___repr__(self)
8071 return _object_cast_to_NormalMover(o)
8074 def _get_as_binary(self):
8075 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8076 return _IMP_core.NormalMover__get_as_binary(self)
8078 def _set_from_binary(self, p):
8079 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8080 return _IMP_core.NormalMover__set_from_binary(self, p)
8082 def __getstate__(self):
8083 p = self._get_as_binary()
8084 if len(self.__dict__) > 1:
8085 d = self.__dict__.copy()
8090 def __setstate__(self, p):
8091 if not hasattr(self,
'this'):
8093 if isinstance(p, tuple):
8095 self.__dict__.update(d)
8096 return self._set_from_binary(p)
8099 def _get_jax(self, space):
8101 from IMP.core._jax_util
import _get_offset_propose_func
8102 keys = self.get_keys()
8103 sigma = self.get_sigma()
8105 def offset_func(key, shape):
8106 key, subkey = jax.random.split(key)
8107 return key, jax.random.normal(subkey, shape) * sigma
8109 propose_func, keys = _get_offset_propose_func(
8110 self.get_indexes(), keys, offset_func)
8112 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
8116 _IMP_core.NormalMover_swigregister(NormalMover)
8117 class OpenCubicSpline(_OpenCubicSplineBase):
8118 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8120 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8122 def __init__(self, values, minrange, spacing, extend=False):
8123 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8124 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8126 def get_minrange(self):
8127 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8128 return _IMP_core.OpenCubicSpline_get_minrange(self)
8130 def get_spacing(self):
8131 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8132 return _IMP_core.OpenCubicSpline_get_spacing(self)
8134 def get_values(self):
8135 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8136 return _IMP_core.OpenCubicSpline_get_values(self)
8138 def get_extend(self):
8139 r"""get_extend(OpenCubicSpline self) -> bool"""
8140 return _IMP_core.OpenCubicSpline_get_extend(self)
8142 def get_second_derivatives(self):
8143 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8144 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8147 r"""__str__(OpenCubicSpline self) -> std::string"""
8148 return _IMP_core.OpenCubicSpline___str__(self)
8151 r"""__repr__(OpenCubicSpline self) -> std::string"""
8152 return _IMP_core.OpenCubicSpline___repr__(self)
8156 return _object_cast_to_OpenCubicSpline(o)
8160 import jax.numpy
as jnp
8161 from IMP.core._jax_util
import _spline
8162 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8164 feature = jnp.clip(feature, minrange, maxrange)
8166 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8167 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8168 values, second_derivs)
8169 spacing = self.get_spacing()
8170 minrange = self.get_minrange()
8171 values = jnp.asarray(self.get_values())
8172 maxrange = minrange + spacing * (len(values) - 1)
8173 return functools.partial(
8174 score, minrange=minrange, maxrange=maxrange,
8175 spacing=spacing, values=values,
8176 second_derivs=jnp.asarray(self.get_second_derivatives()))
8178 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8181 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8182 class QuadraticClosePairsFinder(ClosePairsFinder):
8183 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8185 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8188 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8189 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8191 def get_are_close_and_filtered(self, *args):
8193 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8194 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8196 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8198 def get_close_pairs(self, *args):
8200 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8201 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8202 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8203 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8205 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8207 def do_get_inputs(self, m, pis):
8208 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8209 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8211 def get_version_info(self):
8212 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8213 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8214 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8217 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8218 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8221 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8222 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8226 return _object_cast_to_QuadraticClosePairsFinder(o)
8230 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8232 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8236 def __init__(self, r, f):
8237 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8238 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8240 def do_get_inputs(self, m, pis):
8241 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8242 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8244 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8245 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"""
8246 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8248 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8249 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"""
8250 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8252 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8253 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"""
8254 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8256 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8257 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"""
8258 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8260 def get_version_info(self):
8261 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8262 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8263 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8266 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8267 return _IMP_core.RefinedPairsPairScore___str__(self)
8270 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8271 return _IMP_core.RefinedPairsPairScore___repr__(self)
8275 return _object_cast_to_RefinedPairsPairScore(o)
8279 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8280 class RigidBody(XYZ):
8281 r"""Proxy of C++ IMP::core::RigidBody class."""
8283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8285 def get_rigid_members(self):
8286 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8287 return _IMP_core.RigidBody_get_rigid_members(self)
8290 def get_rotation_key():
8291 r"""get_rotation_key() -> Vector4DDerivKey"""
8292 return _IMP_core.RigidBody_get_rotation_key()
8294 def get_member_particle_indexes(self):
8295 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8296 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8298 def get_body_member_particle_indexes(self):
8299 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8300 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8302 def get_member_indexes(self):
8303 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8304 return _IMP_core.RigidBody_get_member_indexes(self)
8306 def show(self, *args):
8307 r"""show(RigidBody self, _ostream out=std::cout)"""
8308 return _IMP_core.RigidBody_show(self, *args)
8311 def setup_particle(*args):
8313 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8314 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8315 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8316 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8318 return _IMP_core.RigidBody_setup_particle(*args)
8321 def teardown_particle(rb):
8322 r"""teardown_particle(RigidBody rb)"""
8323 return _IMP_core.RigidBody_teardown_particle(rb)
8325 def __init__(self, *args):
8327 __init__(RigidBody self) -> RigidBody
8328 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8329 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8330 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8332 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8333 __swig_destroy__ = _IMP_core.delete_RigidBody
8336 def get_is_setup(*args):
8338 get_is_setup(_ParticleAdaptor p) -> bool
8339 get_is_setup(Model m, ParticleIndex pi) -> bool
8341 return _IMP_core.RigidBody_get_is_setup(*args)
8343 def get_coordinates(self):
8344 r"""get_coordinates(RigidBody self) -> Vector3D"""
8345 return _IMP_core.RigidBody_get_coordinates(self)
8347 def get_rotation(self):
8348 r"""get_rotation(RigidBody self) -> Rotation3D"""
8349 return _IMP_core.RigidBody_get_rotation(self)
8351 def get_reference_frame(self):
8352 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8353 return _IMP_core.RigidBody_get_reference_frame(self)
8355 def set_reference_frame(self, tr):
8356 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8357 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8359 def set_reference_frame_lazy(self, tr):
8360 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8361 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8363 def set_reference_frame_from_members(self, members):
8364 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8365 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8367 def pull_back_members_adjoints(self, da):
8368 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8369 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8371 def pull_back_member_adjoints(self, pi, da):
8372 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8373 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8375 def pull_back_body_member_adjoints(self, pi, da):
8376 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8377 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8379 def add_to_rotational_derivatives(self, qderiv, da):
8380 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8381 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8383 def add_to_torque(self, torque_local, da):
8384 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8385 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8387 def get_torque(self):
8388 r"""get_torque(RigidBody self) -> Vector3D"""
8389 return _IMP_core.RigidBody_get_torque(self)
8391 def get_coordinates_are_optimized(self):
8392 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8393 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8395 def set_coordinates_are_optimized(self, tf):
8396 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8397 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8399 def normalize_rotation(self):
8400 r"""normalize_rotation(RigidBody self)"""
8401 return _IMP_core.RigidBody_normalize_rotation(self)
8403 def update_members(self):
8404 r"""update_members(RigidBody self)"""
8405 return _IMP_core.RigidBody_update_members(self)
8407 def get_rotational_derivatives(self):
8408 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8409 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8411 def get_number_of_members(self):
8412 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8413 return _IMP_core.RigidBody_get_number_of_members(self)
8415 def get_member(self, i):
8416 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8417 return _IMP_core.RigidBody_get_member(self, i)
8419 def add_member(self, p):
8420 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8421 return _IMP_core.RigidBody_add_member(self, p)
8423 def add_non_rigid_member(self, p):
8424 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8425 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8427 def set_is_rigid_member(self, pi, tf):
8428 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8429 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8431 def remove_member(self, p):
8432 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8433 return _IMP_core.RigidBody_remove_member(self, p)
8435 def add_attribute(self, *args):
8437 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8438 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8439 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8440 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8441 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8442 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8443 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8444 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8445 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8446 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8447 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8448 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8450 return _IMP_core.RigidBody_add_attribute(self, *args)
8452 def get_value(self, *args):
8454 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8455 get_value(RigidBody self, IntKey a0) -> IMP::Int
8456 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8457 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8458 get_value(RigidBody self, StringKey a0) -> IMP::String
8459 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8460 get_value(RigidBody self, ObjectKey a0) -> Object
8461 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8462 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8463 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8464 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8466 return _IMP_core.RigidBody_get_value(self, *args)
8468 def set_value(self, *args):
8470 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8471 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8472 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8473 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8474 set_value(RigidBody self, StringKey a0, IMP::String a1)
8475 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8476 set_value(RigidBody self, ObjectKey a0, Object a1)
8477 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8478 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8479 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8480 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8482 return _IMP_core.RigidBody_set_value(self, *args)
8484 def remove_attribute(self, *args):
8486 remove_attribute(RigidBody self, FloatKey a0)
8487 remove_attribute(RigidBody self, IntKey a0)
8488 remove_attribute(RigidBody self, FloatsKey a0)
8489 remove_attribute(RigidBody self, IntsKey a0)
8490 remove_attribute(RigidBody self, StringKey a0)
8491 remove_attribute(RigidBody self, ParticleIndexKey a0)
8492 remove_attribute(RigidBody self, ObjectKey a0)
8493 remove_attribute(RigidBody self, SparseFloatKey a0)
8494 remove_attribute(RigidBody self, SparseIntKey a0)
8495 remove_attribute(RigidBody self, SparseStringKey a0)
8496 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8498 return _IMP_core.RigidBody_remove_attribute(self, *args)
8500 def has_attribute(self, *args):
8502 has_attribute(RigidBody self, FloatKey a0) -> bool
8503 has_attribute(RigidBody self, IntKey a0) -> bool
8504 has_attribute(RigidBody self, FloatsKey a0) -> bool
8505 has_attribute(RigidBody self, IntsKey a0) -> bool
8506 has_attribute(RigidBody self, StringKey a0) -> bool
8507 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8508 has_attribute(RigidBody self, ObjectKey a0) -> bool
8509 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8510 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8511 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8512 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8514 return _IMP_core.RigidBody_has_attribute(self, *args)
8516 def get_derivative(self, a0):
8517 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8518 return _IMP_core.RigidBody_get_derivative(self, a0)
8521 r"""get_name(RigidBody self) -> std::string"""
8522 return _IMP_core.RigidBody_get_name(self)
8524 def clear_caches(self):
8525 r"""clear_caches(RigidBody self)"""
8526 return _IMP_core.RigidBody_clear_caches(self)
8528 def set_name(self, a0):
8529 r"""set_name(RigidBody self, std::string a0)"""
8530 return _IMP_core.RigidBody_set_name(self, a0)
8533 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8534 return _IMP_core.RigidBody_set_check_level(self, a0)
8536 def add_to_derivative(self, a0, a1, a2):
8537 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8538 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8540 def set_is_optimized(self, a0, a1):
8541 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8542 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8544 def get_is_optimized(self, a0):
8545 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8546 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8549 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8550 return _IMP_core.RigidBody_get_check_level(self)
8552 def __eq__(self, *args):
8554 __eq__(RigidBody self, RigidBody o) -> bool
8555 __eq__(RigidBody self, Particle d) -> bool
8557 return _IMP_core.RigidBody___eq__(self, *args)
8559 def __ne__(self, *args):
8561 __ne__(RigidBody self, RigidBody o) -> bool
8562 __ne__(RigidBody self, Particle d) -> bool
8564 return _IMP_core.RigidBody___ne__(self, *args)
8566 def __le__(self, *args):
8568 __le__(RigidBody self, RigidBody o) -> bool
8569 __le__(RigidBody self, Particle d) -> bool
8571 return _IMP_core.RigidBody___le__(self, *args)
8573 def __lt__(self, *args):
8575 __lt__(RigidBody self, RigidBody o) -> bool
8576 __lt__(RigidBody self, Particle d) -> bool
8578 return _IMP_core.RigidBody___lt__(self, *args)
8580 def __ge__(self, *args):
8582 __ge__(RigidBody self, RigidBody o) -> bool
8583 __ge__(RigidBody self, Particle d) -> bool
8585 return _IMP_core.RigidBody___ge__(self, *args)
8587 def __gt__(self, *args):
8589 __gt__(RigidBody self, RigidBody o) -> bool
8590 __gt__(RigidBody self, Particle d) -> bool
8592 return _IMP_core.RigidBody___gt__(self, *args)
8595 r"""__hash__(RigidBody self) -> std::size_t"""
8596 return _IMP_core.RigidBody___hash__(self)
8599 r"""__str__(RigidBody self) -> std::string"""
8600 return _IMP_core.RigidBody___str__(self)
8603 r"""__repr__(RigidBody self) -> std::string"""
8604 return _IMP_core.RigidBody___repr__(self)
8606 def _get_as_binary(self):
8607 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8608 return _IMP_core.RigidBody__get_as_binary(self)
8610 def _set_from_binary(self, p):
8611 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8612 return _IMP_core.RigidBody__set_from_binary(self, p)
8614 def __getstate__(self):
8615 p = self._get_as_binary()
8616 if len(self.__dict__) > 1:
8617 d = self.__dict__.copy()
8622 def __setstate__(self, p):
8623 if not hasattr(self,
'this'):
8625 if isinstance(p, tuple):
8627 self.__dict__.update(d)
8628 return self._set_from_binary(p)
8632 _IMP_core.RigidBody_swigregister(RigidBody)
8635 r"""add_rigid_body_cache_key(ObjectKey k)"""
8636 return _IMP_core.add_rigid_body_cache_key(k)
8637 class RigidBodyMember(XYZ):
8638 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8640 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8642 def show(self, *args):
8643 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8644 return _IMP_core.RigidBodyMember_show(self, *args)
8646 def get_rigid_body(self):
8647 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8648 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8650 def get_internal_coordinates(self):
8651 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8652 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8654 def set_internal_coordinates(self, v):
8655 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8656 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8658 def set_internal_transformation(self, v):
8659 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8660 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8662 def get_internal_transformation(self):
8663 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8664 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8665 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8667 def set_coordinates(self, *args):
8669 set_coordinates(RigidBodyMember self, Vector3D center)
8670 set_coordinates(RigidBodyMember self, Transformation3D tr)
8672 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8674 def __init__(self, *args):
8676 __init__(RigidBodyMember self) -> RigidBodyMember
8677 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8678 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8679 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8681 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8684 def get_is_setup(*args):
8686 get_is_setup(_ParticleAdaptor p) -> bool
8687 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8689 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8692 def get_internal_coordinate_keys():
8693 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8694 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8697 def get_internal_rotation_key():
8698 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8699 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8701 def add_attribute(self, *args):
8703 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8704 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8705 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8706 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8707 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8708 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8709 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8710 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8711 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8712 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8713 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8714 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8716 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8718 def get_value(self, *args):
8720 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8721 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8722 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8723 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8724 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8725 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8726 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8727 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8728 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8729 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8730 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8732 return _IMP_core.RigidBodyMember_get_value(self, *args)
8734 def set_value(self, *args):
8736 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8737 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8738 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8739 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8740 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8741 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8742 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8743 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8744 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8745 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8746 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8748 return _IMP_core.RigidBodyMember_set_value(self, *args)
8750 def remove_attribute(self, *args):
8752 remove_attribute(RigidBodyMember self, FloatKey a0)
8753 remove_attribute(RigidBodyMember self, IntKey a0)
8754 remove_attribute(RigidBodyMember self, FloatsKey a0)
8755 remove_attribute(RigidBodyMember self, IntsKey a0)
8756 remove_attribute(RigidBodyMember self, StringKey a0)
8757 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8758 remove_attribute(RigidBodyMember self, ObjectKey a0)
8759 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8760 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8761 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8762 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8764 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8766 def has_attribute(self, *args):
8768 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8769 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8770 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8771 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8772 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8773 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8774 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8775 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8776 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8777 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8778 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8780 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8782 def get_derivative(self, a0):
8783 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8784 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8787 r"""get_name(RigidBodyMember self) -> std::string"""
8788 return _IMP_core.RigidBodyMember_get_name(self)
8790 def clear_caches(self):
8791 r"""clear_caches(RigidBodyMember self)"""
8792 return _IMP_core.RigidBodyMember_clear_caches(self)
8794 def set_name(self, a0):
8795 r"""set_name(RigidBodyMember self, std::string a0)"""
8796 return _IMP_core.RigidBodyMember_set_name(self, a0)
8799 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8800 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8802 def add_to_derivative(self, a0, a1, a2):
8803 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8804 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8806 def set_is_optimized(self, a0, a1):
8807 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8808 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8810 def get_is_optimized(self, a0):
8811 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8812 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8815 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8816 return _IMP_core.RigidBodyMember_get_check_level(self)
8818 def __eq__(self, *args):
8820 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8821 __eq__(RigidBodyMember self, Particle d) -> bool
8823 return _IMP_core.RigidBodyMember___eq__(self, *args)
8825 def __ne__(self, *args):
8827 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8828 __ne__(RigidBodyMember self, Particle d) -> bool
8830 return _IMP_core.RigidBodyMember___ne__(self, *args)
8832 def __le__(self, *args):
8834 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8835 __le__(RigidBodyMember self, Particle d) -> bool
8837 return _IMP_core.RigidBodyMember___le__(self, *args)
8839 def __lt__(self, *args):
8841 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8842 __lt__(RigidBodyMember self, Particle d) -> bool
8844 return _IMP_core.RigidBodyMember___lt__(self, *args)
8846 def __ge__(self, *args):
8848 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8849 __ge__(RigidBodyMember self, Particle d) -> bool
8851 return _IMP_core.RigidBodyMember___ge__(self, *args)
8853 def __gt__(self, *args):
8855 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8856 __gt__(RigidBodyMember self, Particle d) -> bool
8858 return _IMP_core.RigidBodyMember___gt__(self, *args)
8861 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8862 return _IMP_core.RigidBodyMember___hash__(self)
8865 r"""__str__(RigidBodyMember self) -> std::string"""
8866 return _IMP_core.RigidBodyMember___str__(self)
8869 r"""__repr__(RigidBodyMember self) -> std::string"""
8870 return _IMP_core.RigidBodyMember___repr__(self)
8872 def _get_as_binary(self):
8873 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8874 return _IMP_core.RigidBodyMember__get_as_binary(self)
8876 def _set_from_binary(self, p):
8877 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8878 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8880 def __getstate__(self):
8881 p = self._get_as_binary()
8882 if len(self.__dict__) > 1:
8883 d = self.__dict__.copy()
8888 def __setstate__(self, p):
8889 if not hasattr(self,
'this'):
8891 if isinstance(p, tuple):
8893 self.__dict__.update(d)
8894 return self._set_from_binary(p)
8898 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8899 class RigidMember(RigidBodyMember):
8900 r"""Proxy of C++ IMP::core::RigidMember class."""
8902 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8904 def show(self, *args):
8905 r"""show(RigidMember self, _ostream out=std::cout)"""
8906 return _IMP_core.RigidMember_show(self, *args)
8908 def __init__(self, *args):
8910 __init__(RigidMember self) -> RigidMember
8911 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8912 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8913 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8915 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8916 __swig_destroy__ = _IMP_core.delete_RigidMember
8919 def get_is_setup(*args):
8921 get_is_setup(_ParticleAdaptor p) -> bool
8922 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8924 return _IMP_core.RigidMember_get_is_setup(*args)
8926 def add_attribute(self, *args):
8928 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8929 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8930 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8931 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8932 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8933 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8934 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8935 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8936 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8937 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8938 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8939 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8941 return _IMP_core.RigidMember_add_attribute(self, *args)
8943 def get_value(self, *args):
8945 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8946 get_value(RigidMember self, IntKey a0) -> IMP::Int
8947 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8948 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8949 get_value(RigidMember self, StringKey a0) -> IMP::String
8950 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8951 get_value(RigidMember self, ObjectKey a0) -> Object
8952 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8953 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8954 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8955 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8957 return _IMP_core.RigidMember_get_value(self, *args)
8959 def set_value(self, *args):
8961 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8962 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8963 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8964 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8965 set_value(RigidMember self, StringKey a0, IMP::String a1)
8966 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8967 set_value(RigidMember self, ObjectKey a0, Object a1)
8968 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8969 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8970 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8971 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8973 return _IMP_core.RigidMember_set_value(self, *args)
8975 def remove_attribute(self, *args):
8977 remove_attribute(RigidMember self, FloatKey a0)
8978 remove_attribute(RigidMember self, IntKey a0)
8979 remove_attribute(RigidMember self, FloatsKey a0)
8980 remove_attribute(RigidMember self, IntsKey a0)
8981 remove_attribute(RigidMember self, StringKey a0)
8982 remove_attribute(RigidMember self, ParticleIndexKey a0)
8983 remove_attribute(RigidMember self, ObjectKey a0)
8984 remove_attribute(RigidMember self, SparseFloatKey a0)
8985 remove_attribute(RigidMember self, SparseIntKey a0)
8986 remove_attribute(RigidMember self, SparseStringKey a0)
8987 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8989 return _IMP_core.RigidMember_remove_attribute(self, *args)
8991 def has_attribute(self, *args):
8993 has_attribute(RigidMember self, FloatKey a0) -> bool
8994 has_attribute(RigidMember self, IntKey a0) -> bool
8995 has_attribute(RigidMember self, FloatsKey a0) -> bool
8996 has_attribute(RigidMember self, IntsKey a0) -> bool
8997 has_attribute(RigidMember self, StringKey a0) -> bool
8998 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8999 has_attribute(RigidMember self, ObjectKey a0) -> bool
9000 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
9001 has_attribute(RigidMember self, SparseIntKey a0) -> bool
9002 has_attribute(RigidMember self, SparseStringKey a0) -> bool
9003 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
9005 return _IMP_core.RigidMember_has_attribute(self, *args)
9007 def get_derivative(self, a0):
9008 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
9009 return _IMP_core.RigidMember_get_derivative(self, a0)
9012 r"""get_name(RigidMember self) -> std::string"""
9013 return _IMP_core.RigidMember_get_name(self)
9015 def clear_caches(self):
9016 r"""clear_caches(RigidMember self)"""
9017 return _IMP_core.RigidMember_clear_caches(self)
9019 def set_name(self, a0):
9020 r"""set_name(RigidMember self, std::string a0)"""
9021 return _IMP_core.RigidMember_set_name(self, a0)
9024 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
9025 return _IMP_core.RigidMember_set_check_level(self, a0)
9027 def add_to_derivative(self, a0, a1, a2):
9028 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9029 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
9031 def set_is_optimized(self, a0, a1):
9032 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
9033 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
9035 def get_is_optimized(self, a0):
9036 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
9037 return _IMP_core.RigidMember_get_is_optimized(self, a0)
9040 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
9041 return _IMP_core.RigidMember_get_check_level(self)
9043 def __eq__(self, *args):
9045 __eq__(RigidMember self, RigidMember o) -> bool
9046 __eq__(RigidMember self, Particle d) -> bool
9048 return _IMP_core.RigidMember___eq__(self, *args)
9050 def __ne__(self, *args):
9052 __ne__(RigidMember self, RigidMember o) -> bool
9053 __ne__(RigidMember self, Particle d) -> bool
9055 return _IMP_core.RigidMember___ne__(self, *args)
9057 def __le__(self, *args):
9059 __le__(RigidMember self, RigidMember o) -> bool
9060 __le__(RigidMember self, Particle d) -> bool
9062 return _IMP_core.RigidMember___le__(self, *args)
9064 def __lt__(self, *args):
9066 __lt__(RigidMember self, RigidMember o) -> bool
9067 __lt__(RigidMember self, Particle d) -> bool
9069 return _IMP_core.RigidMember___lt__(self, *args)
9071 def __ge__(self, *args):
9073 __ge__(RigidMember self, RigidMember o) -> bool
9074 __ge__(RigidMember self, Particle d) -> bool
9076 return _IMP_core.RigidMember___ge__(self, *args)
9078 def __gt__(self, *args):
9080 __gt__(RigidMember self, RigidMember o) -> bool
9081 __gt__(RigidMember self, Particle d) -> bool
9083 return _IMP_core.RigidMember___gt__(self, *args)
9086 r"""__hash__(RigidMember self) -> std::size_t"""
9087 return _IMP_core.RigidMember___hash__(self)
9090 r"""__str__(RigidMember self) -> std::string"""
9091 return _IMP_core.RigidMember___str__(self)
9094 r"""__repr__(RigidMember self) -> std::string"""
9095 return _IMP_core.RigidMember___repr__(self)
9097 def _get_as_binary(self):
9098 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9099 return _IMP_core.RigidMember__get_as_binary(self)
9101 def _set_from_binary(self, p):
9102 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9103 return _IMP_core.RigidMember__set_from_binary(self, p)
9105 def __getstate__(self):
9106 p = self._get_as_binary()
9107 if len(self.__dict__) > 1:
9108 d = self.__dict__.copy()
9113 def __setstate__(self, p):
9114 if not hasattr(self,
'this'):
9116 if isinstance(p, tuple):
9118 self.__dict__.update(d)
9119 return self._set_from_binary(p)
9123 _IMP_core.RigidMember_swigregister(RigidMember)
9124 class NonRigidMember(RigidBodyMember):
9125 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9127 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9129 def show(self, *args):
9130 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9131 return _IMP_core.NonRigidMember_show(self, *args)
9133 def __init__(self, *args):
9135 __init__(NonRigidMember self) -> NonRigidMember
9136 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9137 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9138 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9140 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9141 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9144 def get_is_setup(*args):
9146 get_is_setup(_ParticleAdaptor p) -> bool
9147 get_is_setup(Model m, ParticleIndex p) -> bool
9149 return _IMP_core.NonRigidMember_get_is_setup(*args)
9151 def add_to_internal_derivatives(self, deriv_parent, da):
9152 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9153 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9155 def add_to_internal_rotational_derivatives(self, qderiv, da):
9156 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9157 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9159 def get_internal_derivatives(self):
9160 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9161 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9163 def get_internal_rotational_derivatives(self):
9164 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9165 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9167 def add_attribute(self, *args):
9169 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9170 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9171 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9172 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9173 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9174 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9175 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9176 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9177 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9178 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9179 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9180 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9182 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9184 def get_value(self, *args):
9186 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9187 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9188 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9189 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9190 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9191 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9192 get_value(NonRigidMember self, ObjectKey a0) -> Object
9193 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9194 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9195 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9196 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9198 return _IMP_core.NonRigidMember_get_value(self, *args)
9200 def set_value(self, *args):
9202 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9203 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9204 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9205 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9206 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9207 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9208 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9209 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9210 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9211 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9212 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9214 return _IMP_core.NonRigidMember_set_value(self, *args)
9216 def remove_attribute(self, *args):
9218 remove_attribute(NonRigidMember self, FloatKey a0)
9219 remove_attribute(NonRigidMember self, IntKey a0)
9220 remove_attribute(NonRigidMember self, FloatsKey a0)
9221 remove_attribute(NonRigidMember self, IntsKey a0)
9222 remove_attribute(NonRigidMember self, StringKey a0)
9223 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9224 remove_attribute(NonRigidMember self, ObjectKey a0)
9225 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9226 remove_attribute(NonRigidMember self, SparseIntKey a0)
9227 remove_attribute(NonRigidMember self, SparseStringKey a0)
9228 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9230 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9232 def has_attribute(self, *args):
9234 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9235 has_attribute(NonRigidMember self, IntKey a0) -> bool
9236 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9237 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9238 has_attribute(NonRigidMember self, StringKey a0) -> bool
9239 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9240 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9241 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9242 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9243 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9244 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9246 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9248 def get_derivative(self, a0):
9249 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9250 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9253 r"""get_name(NonRigidMember self) -> std::string"""
9254 return _IMP_core.NonRigidMember_get_name(self)
9256 def clear_caches(self):
9257 r"""clear_caches(NonRigidMember self)"""
9258 return _IMP_core.NonRigidMember_clear_caches(self)
9260 def set_name(self, a0):
9261 r"""set_name(NonRigidMember self, std::string a0)"""
9262 return _IMP_core.NonRigidMember_set_name(self, a0)
9265 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9266 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9268 def add_to_derivative(self, a0, a1, a2):
9269 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9270 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9272 def set_is_optimized(self, a0, a1):
9273 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9274 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9276 def get_is_optimized(self, a0):
9277 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9278 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9281 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9282 return _IMP_core.NonRigidMember_get_check_level(self)
9284 def __eq__(self, *args):
9286 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9287 __eq__(NonRigidMember self, Particle d) -> bool
9289 return _IMP_core.NonRigidMember___eq__(self, *args)
9291 def __ne__(self, *args):
9293 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9294 __ne__(NonRigidMember self, Particle d) -> bool
9296 return _IMP_core.NonRigidMember___ne__(self, *args)
9298 def __le__(self, *args):
9300 __le__(NonRigidMember self, NonRigidMember o) -> bool
9301 __le__(NonRigidMember self, Particle d) -> bool
9303 return _IMP_core.NonRigidMember___le__(self, *args)
9305 def __lt__(self, *args):
9307 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9308 __lt__(NonRigidMember self, Particle d) -> bool
9310 return _IMP_core.NonRigidMember___lt__(self, *args)
9312 def __ge__(self, *args):
9314 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9315 __ge__(NonRigidMember self, Particle d) -> bool
9317 return _IMP_core.NonRigidMember___ge__(self, *args)
9319 def __gt__(self, *args):
9321 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9322 __gt__(NonRigidMember self, Particle d) -> bool
9324 return _IMP_core.NonRigidMember___gt__(self, *args)
9327 r"""__hash__(NonRigidMember self) -> std::size_t"""
9328 return _IMP_core.NonRigidMember___hash__(self)
9331 r"""__str__(NonRigidMember self) -> std::string"""
9332 return _IMP_core.NonRigidMember___str__(self)
9335 r"""__repr__(NonRigidMember self) -> std::string"""
9336 return _IMP_core.NonRigidMember___repr__(self)
9338 def _get_as_binary(self):
9339 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9340 return _IMP_core.NonRigidMember__get_as_binary(self)
9342 def _set_from_binary(self, p):
9343 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9344 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9346 def __getstate__(self):
9347 p = self._get_as_binary()
9348 if len(self.__dict__) > 1:
9349 d = self.__dict__.copy()
9354 def __setstate__(self, p):
9355 if not hasattr(self,
'this'):
9357 if isinstance(p, tuple):
9359 self.__dict__.update(d)
9360 return self._set_from_binary(p)
9364 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9366 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9368 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9370 def __init__(self, *args):
9371 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9372 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9374 def do_get_inputs(self, m, pis):
9375 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9376 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9378 def get_version_info(self):
9379 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9380 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9381 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9384 r"""__str__(RigidMembersRefiner self) -> std::string"""
9385 return _IMP_core.RigidMembersRefiner___str__(self)
9388 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9389 return _IMP_core.RigidMembersRefiner___repr__(self)
9393 return _object_cast_to_RigidMembersRefiner(o)
9397 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9399 def get_rigid_members_refiner():
9400 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9401 return _IMP_core.get_rigid_members_refiner()
9405 transform(XYZ a, Transformation3D tr)
9406 transform(RigidBody a, Transformation3D tr)
9408 return _IMP_core.transform(*args)
9412 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9413 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9415 return _IMP_core.get_initial_reference_frame(*args)
9418 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9419 return _IMP_core.create_rigid_bodies(m, n, no_members)
9422 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9423 return _IMP_core.show_rigid_body_hierarchy(*args)
9426 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9427 return _IMP_core.get_root_rigid_body(m)
9429 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9431 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9433 def __init__(self, *args):
9434 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9435 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9437 def do_get_inputs(self, m, pis):
9438 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9439 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9441 def do_get_outputs(self, m, pis):
9442 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9443 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9445 def get_version_info(self):
9446 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9447 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9448 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9451 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9452 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9455 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9456 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9460 return _object_cast_to__UpdateRigidBodyMembers(o)
9464 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9466 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9468 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9470 def __init__(self, *args):
9471 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9472 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9474 def do_get_inputs(self, m, pis):
9475 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9476 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9478 def do_get_outputs(self, m, pis):
9479 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9480 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9482 def get_version_info(self):
9483 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9484 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9485 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9488 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9489 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9492 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9493 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9497 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9501 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9503 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9505 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9507 def __init__(self, *args):
9508 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9509 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9511 def do_get_inputs(self, m, pis):
9512 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9513 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9515 def do_get_outputs(self, m, pis):
9516 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9517 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9519 def get_version_info(self):
9520 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9521 return _IMP_core._NormalizeRotation_get_version_info(self)
9522 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9525 r"""__str__(_NormalizeRotation self) -> std::string"""
9526 return _IMP_core._NormalizeRotation___str__(self)
9529 r"""__repr__(_NormalizeRotation self) -> std::string"""
9530 return _IMP_core._NormalizeRotation___repr__(self)
9534 return _object_cast_to__NormalizeRotation(o)
9538 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9540 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9542 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9544 def __init__(self, *args, **kwargs):
9545 raise AttributeError(
"No constructor defined - class is abstract")
9547 def get_before_modifier(self):
9548 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9549 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9551 def get_container(self):
9552 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9553 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9555 def get_version_info(self):
9556 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9557 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9558 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9561 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9562 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9565 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9566 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9570 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9574 from IMP.algebra._jax_util
import _quaternion_normalize
9576 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9579 allrbs = jm[
'rigid_bodies']
9580 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9582 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9586 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9588 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9590 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9592 def __init__(self, *args, **kwargs):
9593 raise AttributeError(
"No constructor defined - class is abstract")
9595 def get_version_info(self):
9596 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9597 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9598 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9600 def get_before_modifier(self):
9601 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9602 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9604 def get_after_modifier(self):
9605 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9606 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9609 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9610 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9613 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9614 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9617 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9618 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9622 return _object_cast_to__RigidBodyPositionConstraint(o)
9629 bodies = jm[
'rigid_bodies'].bodies
9634 jm = body.update_members(jm)
9636 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9640 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9642 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9646 def __init__(self, rb, constituents):
9647 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9648 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9650 def get_version_info(self):
9651 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9652 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9653 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9656 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9657 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9660 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9661 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9665 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9669 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9671 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9673 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9675 def __init__(self, *args):
9677 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9678 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9680 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9682 def get_version_info(self):
9683 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9684 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9685 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9688 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9689 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9692 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9693 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9697 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9701 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9703 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9707 def __init__(self, sc):
9708 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9709 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9711 def get_version_info(self):
9712 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9713 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9714 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9717 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9718 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9721 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9722 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9726 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9730 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9732 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9734 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9736 def __init__(self, *args):
9738 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9739 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9741 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9743 def get_version_info(self):
9744 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9745 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9746 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9749 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9750 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9753 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9754 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9758 return _object_cast_to_RigidBodyFrameGeometry(o)
9762 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9764 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9766 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9768 def __init__(self, sc):
9769 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9770 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9772 def get_version_info(self):
9773 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9774 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9775 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9778 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9779 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9782 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9783 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9787 return _object_cast_to_RigidBodyFramesGeometry(o)
9791 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9793 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9795 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9797 def __init__(self, p):
9798 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9799 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9802 r"""__str__(RigidBodyTorque self) -> std::string"""
9803 return _IMP_core.RigidBodyTorque___str__(self)
9806 r"""__repr__(RigidBodyTorque self) -> std::string"""
9807 return _IMP_core.RigidBodyTorque___repr__(self)
9811 return _object_cast_to_RigidBodyTorque(o)
9813 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9816 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9817 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9818 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9820 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9823 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9824 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9826 def get_close_pairs(self, *args):
9828 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9829 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9830 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9831 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9833 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9835 def do_get_inputs(self, m, pis):
9836 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9837 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9839 def get_version_info(self):
9840 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9841 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9842 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9845 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9846 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9849 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9850 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9854 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9858 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9860 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9864 def __init__(self, *args):
9866 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9867 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9868 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9870 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9872 def do_add_score_and_derivatives(self, sa, ss):
9873 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9874 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9876 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9877 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)"""
9878 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9880 def do_get_inputs(self):
9881 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9882 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9884 def get_restraints(self):
9885 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9886 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9888 def set_restraints(self, d):
9889 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9890 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9892 def get_number_of_restraints(self):
9893 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9894 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9896 def clear_restraints(self):
9897 r"""clear_restraints(RestraintsScoringFunction self)"""
9898 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9900 def get_restraint(self, i):
9901 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9902 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9904 def erase_restraint(self, i):
9905 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9906 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9909 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9910 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9913 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9914 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9916 def _python_index_restraint(self, r, start, stop):
9917 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9918 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9919 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)
9920 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9921 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9922 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9924 def get_version_info(self):
9925 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9926 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9927 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9930 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9931 return _IMP_core.RestraintsScoringFunction___str__(self)
9934 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9935 return _IMP_core.RestraintsScoringFunction___repr__(self)
9939 return _object_cast_to_RestraintsScoringFunction(o)
9942 def _get_as_binary(self):
9943 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9944 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9946 def _set_from_binary(self, p):
9947 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9948 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9950 def __getstate__(self):
9951 p = self._get_as_binary()
9952 if len(self.__dict__) > 1:
9953 d = self.__dict__.copy()
9958 def __setstate__(self, p):
9959 if not hasattr(self,
'this'):
9961 if isinstance(p, tuple):
9963 self.__dict__.update(d)
9964 return self._set_from_binary(p)
9967 def _get_jax(self, space=None):
9970 jis = [r.get_derived_object()._get_jax(space=space)
9971 for r
in self.restraints]
9972 funcs = [j.score_func
for j
in jis]
9973 keys = frozenset(x
for j
in jis
for x
in j._keys)
9975 return sum(f(jm)
for f
in funcs)
9976 return IMP._jax_util.JAXRestraintInfo(
9977 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9981 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9982 class RigidClosePairsFinder(ClosePairsFinder):
9983 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9987 def __init__(self, cpf=None):
9988 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9989 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9991 def do_get_inputs(self, m, pis):
9992 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9993 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9995 def get_close_pairs(self, *args):
9997 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9998 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9999 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10000 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
10001 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
10003 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
10005 def get_version_info(self):
10006 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
10007 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
10008 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
10011 r"""__str__(RigidClosePairsFinder self) -> std::string"""
10012 return _IMP_core.RigidClosePairsFinder___str__(self)
10014 def __repr__(self):
10015 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
10016 return _IMP_core.RigidClosePairsFinder___repr__(self)
10020 return _object_cast_to_RigidClosePairsFinder(o)
10023 def _get_as_binary(self):
10024 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
10025 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
10027 def _set_from_binary(self, p):
10028 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
10029 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
10031 def __getstate__(self):
10032 p = self._get_as_binary()
10033 if len(self.__dict__) > 1:
10034 d = self.__dict__.copy()
10039 def __setstate__(self, p):
10040 if not hasattr(self,
'this'):
10042 if isinstance(p, tuple):
10044 self.__dict__.update(d)
10045 return self._set_from_binary(p)
10049 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
10051 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10054 __repr__ = _swig_repr
10056 def __init__(self, *args):
10058 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10059 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10061 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10063 def do_get_inputs(self, m, pis):
10064 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10065 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10067 def get_score_functor(self, *args):
10069 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10070 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10072 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10074 def get_version_info(self):
10075 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10076 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10077 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10081 return _object_cast_to__SphereDistancePairScore(o)
10084 def _get_as_binary(self):
10085 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10086 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10088 def _set_from_binary(self, p):
10089 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10090 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10092 def __getstate__(self):
10093 p = self._get_as_binary()
10094 if len(self.__dict__) > 1:
10095 d = self.__dict__.copy()
10100 def __setstate__(self, p):
10101 if not hasattr(self,
'this'):
10103 if isinstance(p, tuple):
10105 self.__dict__.update(d)
10106 return self._set_from_binary(p)
10109 def _get_jax(self, m, indexes, space):
10110 import jax.numpy
as jnp
10111 def jax_score(jm, uf):
10112 xyzs = jm[
'xyz'][indexes]
10113 rs = jm[
'r'][indexes]
10114 diff = xyzs[:,0] - xyzs[:,1]
10115 drs = space.distance(diff) - rs.sum(axis=1)
10117 sfnc = self.get_score_functor()
10118 uf = sfnc.get_unary_function().get_derived_object()
10119 f = functools.partial(jax_score, uf=uf._get_jax())
10120 return self._wrap_jax(m, f)
10124 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10125 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10126 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10130 def __init__(self, *args):
10132 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10133 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10135 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10137 def do_get_inputs(self, m, pis):
10138 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10139 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10141 def get_score_functor(self, *args):
10143 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10144 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10146 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10149 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10150 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10153 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10154 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10156 def get_version_info(self):
10157 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10158 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10159 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10162 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10163 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10165 def __repr__(self):
10166 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10167 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10171 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10174 def _get_as_binary(self):
10175 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10176 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10178 def _set_from_binary(self, p):
10179 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10180 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10182 def __getstate__(self):
10183 p = self._get_as_binary()
10184 if len(self.__dict__) > 1:
10185 d = self.__dict__.copy()
10190 def __setstate__(self, p):
10191 if not hasattr(self,
'this'):
10193 if isinstance(p, tuple):
10195 self.__dict__.update(d)
10196 return self._set_from_binary(p)
10199 def _get_jax(self, m, indexes, space):
10200 import jax.numpy
as jnp
10202 def jax_score(jm, d, k):
10203 xyzs = jm[
'xyz'][indexes]
10204 rs = jm[
'r'][indexes]
10205 diff = xyzs[:,0] - xyzs[:,1]
10206 drs = space.distance(diff) - rs.sum(axis=1)
10207 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10208 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10209 return self._wrap_jax(m, f)
10213 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10214 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10215 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10217 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10219 def __init__(self, d0, k):
10220 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10221 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10223 def get_rest_length(self):
10224 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10225 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10227 def get_stiffness(self):
10228 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10229 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10231 def do_get_inputs(self, m, pis):
10232 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10233 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10235 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10236 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"""
10237 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10239 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10240 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"""
10241 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10243 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10244 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"""
10245 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10247 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10248 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"""
10249 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10251 def get_version_info(self):
10252 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10253 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10254 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10257 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10258 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10260 def __repr__(self):
10261 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10262 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10266 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10270 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10272 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10274 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10276 def __init__(self, *args):
10278 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10279 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10281 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10283 def do_get_inputs(self, m, pis):
10284 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10285 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10287 def get_score_functor(self, *args):
10289 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10290 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10292 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10295 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10296 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10299 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10300 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10302 def get_version_info(self):
10303 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10304 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10305 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10308 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10309 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10311 def __repr__(self):
10312 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10313 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10317 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10320 def _get_as_binary(self):
10321 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10322 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10324 def _set_from_binary(self, p):
10325 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10326 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10328 def __getstate__(self):
10329 p = self._get_as_binary()
10330 if len(self.__dict__) > 1:
10331 d = self.__dict__.copy()
10336 def __setstate__(self, p):
10337 if not hasattr(self,
'this'):
10339 if isinstance(p, tuple):
10341 self.__dict__.update(d)
10342 return self._set_from_binary(p)
10345 def _get_jax(self, m, indexes, space):
10346 import jax.numpy
as jnp
10347 def jax_score(jm, d, k):
10348 xyzs = jm[
'xyz'][indexes]
10349 rs = jm[
'r'][indexes]
10350 diff = xyzs[:,0] - xyzs[:,1]
10351 drs = space.distance(diff) - rs.sum(axis=1)
10352 return 0.5 * k * (d - drs)**2
10353 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10354 return self._wrap_jax(m, f)
10358 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10360 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10364 def __init__(self, *args):
10365 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10366 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10368 def do_get_inputs(self, m, pis):
10369 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10370 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10372 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10373 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"""
10374 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10376 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10377 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"""
10378 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10380 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10381 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"""
10382 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10384 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10385 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"""
10386 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10388 def get_version_info(self):
10389 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10390 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10391 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10394 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10395 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10397 def __repr__(self):
10398 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10399 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10403 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10407 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10409 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10411 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10413 def __init__(self, *args):
10414 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10415 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10417 def do_get_inputs(self, m, pis):
10418 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10419 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10421 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10422 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"""
10423 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10425 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10426 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"""
10427 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10429 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10430 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"""
10431 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10433 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10434 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"""
10435 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10437 def get_version_info(self):
10438 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10439 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10440 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10443 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10444 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10446 def __repr__(self):
10447 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10448 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10452 return _object_cast_to_WeightedSphereDistancePairScore(o)
10456 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10458 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10460 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10462 def __init__(self, *args):
10464 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10465 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10467 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10469 def do_get_inputs(self, m, pis):
10470 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10471 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10473 def get_score_functor(self, *args):
10475 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10476 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10478 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10481 r"""get_k(SoftSpherePairScore self) -> double"""
10482 return _IMP_core.SoftSpherePairScore_get_k(self)
10484 def get_version_info(self):
10485 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10486 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10487 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10490 r"""__str__(SoftSpherePairScore self) -> std::string"""
10491 return _IMP_core.SoftSpherePairScore___str__(self)
10493 def __repr__(self):
10494 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10495 return _IMP_core.SoftSpherePairScore___repr__(self)
10499 return _object_cast_to_SoftSpherePairScore(o)
10502 def _get_as_binary(self):
10503 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10504 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10506 def _set_from_binary(self, p):
10507 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10508 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10510 def __getstate__(self):
10511 p = self._get_as_binary()
10512 if len(self.__dict__) > 1:
10513 d = self.__dict__.copy()
10518 def __setstate__(self, p):
10519 if not hasattr(self,
'this'):
10521 if isinstance(p, tuple):
10523 self.__dict__.update(d)
10524 return self._set_from_binary(p)
10527 def _get_jax(self, m, indexes, space):
10528 import jax.numpy
as jnp
10530 def jax_score(jm, k):
10531 xyzs = jm[
'xyz'][indexes]
10532 rs = jm[
'r'][indexes]
10533 diff = xyzs[:,0] - xyzs[:,1]
10534 drs = space.distance(diff) - rs.sum(axis=1)
10535 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10536 f = functools.partial(jax_score, k=self.get_k())
10537 return self._wrap_jax(m, f)
10541 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10543 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore 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):
10548 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10549 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10551 def do_get_inputs(self, m, pis):
10552 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10553 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10555 def get_version_info(self):
10556 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10557 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10558 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10561 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10562 return _IMP_core.SurfaceDistancePairScore___str__(self)
10564 def __repr__(self):
10565 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10566 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10570 return _object_cast_to_SurfaceDistancePairScore(o)
10574 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10576 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10578 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10580 def __init__(self, *args):
10581 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10582 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10584 def do_get_inputs(self, m, pis):
10585 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10586 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10588 def get_version_info(self):
10589 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10590 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10591 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10594 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10595 return _IMP_core.SurfaceHeightPairScore___str__(self)
10597 def __repr__(self):
10598 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10599 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10603 return _object_cast_to_SurfaceHeightPairScore(o)
10607 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10609 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10613 def __init__(self, *args):
10614 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10615 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10617 def do_get_inputs(self, m, pis):
10618 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10619 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10621 def get_version_info(self):
10622 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10623 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10624 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10627 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10628 return _IMP_core.SurfaceDepthPairScore___str__(self)
10630 def __repr__(self):
10631 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10632 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10636 return _object_cast_to_SurfaceDepthPairScore(o)
10640 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10642 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10646 def __init__(self, *args):
10647 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10648 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10650 def do_get_inputs(self, m, pis):
10651 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10652 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10654 def get_version_info(self):
10655 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10656 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10657 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10660 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10661 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10663 def __repr__(self):
10664 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10665 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10669 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10673 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10675 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10677 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10679 def __init__(self, *args):
10680 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10681 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10683 def do_get_inputs(self, m, pis):
10684 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10685 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10687 def get_version_info(self):
10688 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10689 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10690 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10693 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10694 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10696 def __repr__(self):
10697 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10698 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10702 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10706 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10708 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10710 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10712 def __init__(self, *args):
10713 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10714 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10716 def do_get_inputs(self, m, pis):
10717 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10718 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10720 def get_version_info(self):
10721 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10722 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10723 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10726 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10727 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10729 def __repr__(self):
10730 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10731 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10735 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10739 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10741 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10745 def __init__(self, *args):
10746 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10747 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10749 def do_get_inputs(self, m, pis):
10750 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10751 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10753 def get_version_info(self):
10754 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10755 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10756 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10759 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10760 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10762 def __repr__(self):
10763 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10764 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10768 return _object_cast_to_SoftSuperSurfacePairScore(o)
10772 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10774 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10778 def __init__(self, *args):
10779 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10780 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10782 def do_get_inputs(self, m, pis):
10783 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10784 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10786 def get_version_info(self):
10787 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10788 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10789 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10792 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10793 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10795 def __repr__(self):
10796 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10797 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10801 return _object_cast_to_SoftSubSurfacePairScore(o)
10805 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10807 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10811 def __init__(self, link_num, link_length):
10812 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10813 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10815 def get_version_info(self):
10816 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10817 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10818 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10820 def get_link_number(self):
10821 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10822 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10824 def get_link_length(self):
10825 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10826 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10828 def set_link_number(self, N):
10829 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10830 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10832 def set_link_length(self, b):
10833 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10834 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10836 def get_distance_at_minimum(self):
10837 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10838 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10840 def get_average_distance(self):
10841 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10842 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10845 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10846 return _IMP_core.SurfaceTetheredChain___str__(self)
10848 def __repr__(self):
10849 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10850 return _IMP_core.SurfaceTetheredChain___repr__(self)
10854 return _object_cast_to_SurfaceTetheredChain(o)
10858 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10860 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10864 def __init__(self, m, ss, rbs):
10865 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10866 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10868 def do_get_inputs(self):
10869 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10870 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10872 def do_get_outputs(self):
10873 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10874 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10876 def get_version_info(self):
10877 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10878 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10879 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10882 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10883 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10885 def __repr__(self):
10886 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10887 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10891 return _object_cast_to_SurfaceSymmetryConstraint(o)
10895 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10897 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10899 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10901 def __init__(self, *args):
10902 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10903 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10905 def do_optimize(self, max_steps):
10906 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10907 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10909 def get_version_info(self):
10910 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10911 return _IMP_core.SteepestDescent_get_version_info(self)
10912 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10914 def set_threshold(self, t):
10915 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10916 return _IMP_core.SteepestDescent_set_threshold(self, t)
10918 def set_step_size(self, t):
10919 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10920 return _IMP_core.SteepestDescent_set_step_size(self, t)
10922 def set_maximum_step_size(self, t):
10923 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10924 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10927 r"""__str__(SteepestDescent self) -> std::string"""
10928 return _IMP_core.SteepestDescent___str__(self)
10930 def __repr__(self):
10931 r"""__repr__(SteepestDescent self) -> std::string"""
10932 return _IMP_core.SteepestDescent___repr__(self)
10936 return _object_cast_to_SteepestDescent(o)
10940 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10942 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10946 def __init__(self, f, transformation):
10947 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10948 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10950 def set_transformation(self, rot):
10951 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10952 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10954 def do_get_inputs(self, m, pis):
10955 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10956 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10958 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10959 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"""
10960 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10962 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10963 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"""
10964 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10966 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10967 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"""
10968 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10970 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10971 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"""
10972 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10974 def get_version_info(self):
10975 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10976 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10977 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10980 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10981 return _IMP_core.TransformedDistancePairScore___str__(self)
10983 def __repr__(self):
10984 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10985 return _IMP_core.TransformedDistancePairScore___repr__(self)
10989 return _object_cast_to_TransformedDistancePairScore(o)
10993 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10995 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10997 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10999 def __init__(self, typekey, allow_invalid_types=True):
11000 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
11001 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
11003 def set_particle_type(self, arg2):
11004 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
11005 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
11007 def set_pair_score(self, ps, atype, btype):
11008 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
11009 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
11011 def do_get_inputs(self, m, pis):
11012 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11013 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
11015 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11016 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"""
11017 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11019 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11020 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"""
11021 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11023 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11024 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"""
11025 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11027 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11028 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"""
11029 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11031 def get_version_info(self):
11032 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
11033 return _IMP_core.TypedPairScore_get_version_info(self)
11034 __swig_destroy__ = _IMP_core.delete_TypedPairScore
11037 r"""__str__(TypedPairScore self) -> std::string"""
11038 return _IMP_core.TypedPairScore___str__(self)
11040 def __repr__(self):
11041 r"""__repr__(TypedPairScore self) -> std::string"""
11042 return _IMP_core.TypedPairScore___repr__(self)
11046 return _object_cast_to_TypedPairScore(o)
11050 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
11051 class RigidBodyDistancePairScore(KClosePairsPairScore):
11052 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11054 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11056 def __init__(self, ps, r):
11057 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11058 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11061 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11062 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11064 def __repr__(self):
11065 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11066 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11070 return _object_cast_to_RigidBodyDistancePairScore(o)
11072 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11075 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11077 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11081 def __init__(self, f):
11082 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11083 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11085 def do_get_inputs(self, m, pis):
11086 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11087 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11089 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11090 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"""
11091 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11093 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11094 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"""
11095 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11097 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11098 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"""
11099 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11101 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11102 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"""
11103 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11105 def get_version_info(self):
11106 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11107 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11108 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11111 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11112 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11114 def __repr__(self):
11115 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11116 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11120 return _object_cast_to_RigidBodyAnglePairScore(o)
11124 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11126 r"""Proxy of C++ IMP::core::TableRefiner class."""
11128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11130 def __init__(self):
11131 r"""__init__(TableRefiner self) -> TableRefiner"""
11132 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11135 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11136 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11138 def remove_particle(self, p):
11139 r"""remove_particle(TableRefiner self, Particle p)"""
11140 return _IMP_core.TableRefiner_remove_particle(self, p)
11142 def set_particle(self, p, ps):
11143 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11144 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11146 def do_get_inputs(self, m, pis):
11147 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11148 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11150 def get_version_info(self):
11151 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11152 return _IMP_core.TableRefiner_get_version_info(self)
11153 __swig_destroy__ = _IMP_core.delete_TableRefiner
11156 r"""__str__(TableRefiner self) -> std::string"""
11157 return _IMP_core.TableRefiner___str__(self)
11159 def __repr__(self):
11160 r"""__repr__(TableRefiner self) -> std::string"""
11161 return _IMP_core.TableRefiner___repr__(self)
11165 return _object_cast_to_TableRefiner(o)
11169 _IMP_core.TableRefiner_swigregister(TableRefiner)
11170 LOWER = _IMP_core.LOWER
11172 BOTH = _IMP_core.BOTH
11174 UPPER = _IMP_core.UPPER
11177 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11179 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11181 def __init__(self, *args):
11182 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11183 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11185 def set_bounding_box(self, bb):
11186 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11187 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11189 def set_number_of_attempts(self, att):
11190 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11191 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11193 def set_number_of_monte_carlo_steps(self, cg):
11194 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11195 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11197 def set_number_of_conjugate_gradient_steps(self, cg):
11198 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11199 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11201 def set_max_monte_carlo_step_size(self, *args):
11203 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11204 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11206 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11208 def set_is_refining(self, tf):
11209 r"""set_is_refining(MCCGSampler self, bool tf)"""
11210 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11212 def set_local_optimizer(self, opt):
11213 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11214 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11216 def set_save_rejected_configurations(self, tf):
11217 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11218 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11220 def get_rejected_configurations(self):
11221 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11222 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11223 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)
11224 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11225 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11226 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11228 def remove_optimizer_state(self, d):
11229 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11230 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11232 def _python_index_optimizer_state(self, d, start, stop):
11233 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11234 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11236 def remove_optimizer_states(self, d):
11237 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11238 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11240 def set_optimizer_states(self, ps):
11241 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11242 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11244 def set_optimizer_states_order(self, objs):
11245 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11246 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11248 def add_optimizer_state(self, obj):
11249 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11250 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11252 def add_optimizer_states(self, objs):
11253 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11254 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11256 def clear_optimizer_states(self):
11257 r"""clear_optimizer_states(MCCGSampler self)"""
11258 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11260 def get_number_of_optimizer_states(self):
11261 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11262 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11264 def get_has_optimizer_states(self):
11265 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11266 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11268 def get_optimizer_state(self, i):
11269 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11270 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11272 def get_optimizer_states(self):
11273 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11274 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11276 def erase_optimizer_state(self, i):
11277 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11278 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11280 def reserve_optimizer_states(self, sz):
11281 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11282 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11284 def do_sample(self):
11285 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11286 return _IMP_core.MCCGSampler_do_sample(self)
11288 def get_version_info(self):
11289 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11290 return _IMP_core.MCCGSampler_get_version_info(self)
11291 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11294 r"""__str__(MCCGSampler self) -> std::string"""
11295 return _IMP_core.MCCGSampler___str__(self)
11297 def __repr__(self):
11298 r"""__repr__(MCCGSampler self) -> std::string"""
11299 return _IMP_core.MCCGSampler___repr__(self)
11303 return _object_cast_to_MCCGSampler(o)
11307 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11309 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11311 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11313 def __init__(self, *args):
11314 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11315 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11317 def do_get_inputs(self):
11318 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11319 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11321 def get_version_info(self):
11322 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11323 return _IMP_core.MinimumRestraint_get_version_info(self)
11324 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11325 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)
11326 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11327 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11328 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11330 def remove_restraint(self, d):
11331 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11332 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11334 def _python_index_restraint(self, d, start, stop):
11335 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11336 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11338 def remove_restraints(self, d):
11339 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11340 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11342 def set_restraints(self, ps):
11343 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11344 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11346 def set_restraints_order(self, objs):
11347 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11348 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11351 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11352 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11355 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11356 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11358 def clear_restraints(self):
11359 r"""clear_restraints(MinimumRestraint self)"""
11360 return _IMP_core.MinimumRestraint_clear_restraints(self)
11362 def get_number_of_restraints(self):
11363 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11364 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11366 def get_has_restraints(self):
11367 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11368 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11370 def get_restraint(self, i):
11371 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11372 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11374 def get_restraints(self):
11375 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11376 return _IMP_core.MinimumRestraint_get_restraints(self)
11378 def erase_restraint(self, i):
11379 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11380 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11382 def reserve_restraints(self, sz):
11383 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11384 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11387 r"""__str__(MinimumRestraint self) -> std::string"""
11388 return _IMP_core.MinimumRestraint___str__(self)
11390 def __repr__(self):
11391 r"""__repr__(MinimumRestraint self) -> std::string"""
11392 return _IMP_core.MinimumRestraint___repr__(self)
11396 return _object_cast_to_MinimumRestraint(o)
11400 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11401 class Gaussian(RigidBody):
11402 r"""Proxy of C++ IMP::core::Gaussian class."""
11404 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11406 def __init__(self, *args):
11408 __init__(Gaussian self) -> Gaussian
11409 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11410 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11412 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11414 def show(self, *args):
11415 r"""show(Gaussian self, _ostream out=std::cout)"""
11416 return _IMP_core.Gaussian_show(self, *args)
11419 def setup_particle(*args):
11421 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11422 setup_particle(_ParticleAdaptor pa) -> Gaussian
11423 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11424 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11426 return _IMP_core.Gaussian_setup_particle(*args)
11429 def get_local_covariance_key():
11430 r"""get_local_covariance_key() -> ObjectKey"""
11431 return _IMP_core.Gaussian_get_local_covariance_key()
11434 def get_global_covariance_key():
11435 r"""get_global_covariance_key() -> ObjectKey"""
11436 return _IMP_core.Gaussian_get_global_covariance_key()
11439 def get_is_setup(*args):
11441 get_is_setup(_ParticleAdaptor p) -> bool
11442 get_is_setup(Model m, ParticleIndex pi) -> bool
11444 return _IMP_core.Gaussian_get_is_setup(*args)
11446 def get_local_covariance(self):
11447 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11448 return _IMP_core.Gaussian_get_local_covariance(self)
11450 def get_variances(self):
11451 r"""get_variances(Gaussian self) -> Vector3D"""
11452 return _IMP_core.Gaussian_get_variances(self)
11454 def get_global_covariance(self):
11455 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11456 return _IMP_core.Gaussian_get_global_covariance(self)
11458 def get_gaussian(self):
11459 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11460 return _IMP_core.Gaussian_get_gaussian(self)
11462 def set_gaussian(self, g):
11463 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11464 return _IMP_core.Gaussian_set_gaussian(self, g)
11466 def set_local_covariance(self, covar):
11467 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11468 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11470 def set_variances(self, v):
11471 r"""set_variances(Gaussian self, Vector3D v)"""
11472 return _IMP_core.Gaussian_set_variances(self, v)
11474 def set_global_covariance(self, covar):
11475 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11476 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11478 def update_global_covariance(self):
11479 r"""update_global_covariance(Gaussian self)"""
11480 return _IMP_core.Gaussian_update_global_covariance(self)
11482 def add_attribute(self, *args):
11484 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11485 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11486 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11487 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11488 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11489 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11490 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11491 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11492 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11493 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11494 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11495 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11497 return _IMP_core.Gaussian_add_attribute(self, *args)
11499 def get_value(self, *args):
11501 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11502 get_value(Gaussian self, IntKey a0) -> IMP::Int
11503 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11504 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11505 get_value(Gaussian self, StringKey a0) -> IMP::String
11506 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11507 get_value(Gaussian self, ObjectKey a0) -> Object
11508 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11509 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11510 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11511 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11513 return _IMP_core.Gaussian_get_value(self, *args)
11515 def set_value(self, *args):
11517 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11518 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11519 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11520 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11521 set_value(Gaussian self, StringKey a0, IMP::String a1)
11522 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11523 set_value(Gaussian self, ObjectKey a0, Object a1)
11524 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11525 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11526 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11527 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11529 return _IMP_core.Gaussian_set_value(self, *args)
11531 def remove_attribute(self, *args):
11533 remove_attribute(Gaussian self, FloatKey a0)
11534 remove_attribute(Gaussian self, IntKey a0)
11535 remove_attribute(Gaussian self, FloatsKey a0)
11536 remove_attribute(Gaussian self, IntsKey a0)
11537 remove_attribute(Gaussian self, StringKey a0)
11538 remove_attribute(Gaussian self, ParticleIndexKey a0)
11539 remove_attribute(Gaussian self, ObjectKey a0)
11540 remove_attribute(Gaussian self, SparseFloatKey a0)
11541 remove_attribute(Gaussian self, SparseIntKey a0)
11542 remove_attribute(Gaussian self, SparseStringKey a0)
11543 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11545 return _IMP_core.Gaussian_remove_attribute(self, *args)
11547 def has_attribute(self, *args):
11549 has_attribute(Gaussian self, FloatKey a0) -> bool
11550 has_attribute(Gaussian self, IntKey a0) -> bool
11551 has_attribute(Gaussian self, FloatsKey a0) -> bool
11552 has_attribute(Gaussian self, IntsKey a0) -> bool
11553 has_attribute(Gaussian self, StringKey a0) -> bool
11554 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11555 has_attribute(Gaussian self, ObjectKey a0) -> bool
11556 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11557 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11558 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11559 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11561 return _IMP_core.Gaussian_has_attribute(self, *args)
11563 def get_derivative(self, a0):
11564 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11565 return _IMP_core.Gaussian_get_derivative(self, a0)
11567 def get_name(self):
11568 r"""get_name(Gaussian self) -> std::string"""
11569 return _IMP_core.Gaussian_get_name(self)
11571 def clear_caches(self):
11572 r"""clear_caches(Gaussian self)"""
11573 return _IMP_core.Gaussian_clear_caches(self)
11575 def set_name(self, a0):
11576 r"""set_name(Gaussian self, std::string a0)"""
11577 return _IMP_core.Gaussian_set_name(self, a0)
11580 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11581 return _IMP_core.Gaussian_set_check_level(self, a0)
11583 def add_to_derivative(self, a0, a1, a2):
11584 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11585 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11587 def set_is_optimized(self, a0, a1):
11588 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11589 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11591 def get_is_optimized(self, a0):
11592 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11593 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11596 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11597 return _IMP_core.Gaussian_get_check_level(self)
11599 def __eq__(self, *args):
11601 __eq__(Gaussian self, Gaussian o) -> bool
11602 __eq__(Gaussian self, Particle d) -> bool
11604 return _IMP_core.Gaussian___eq__(self, *args)
11606 def __ne__(self, *args):
11608 __ne__(Gaussian self, Gaussian o) -> bool
11609 __ne__(Gaussian self, Particle d) -> bool
11611 return _IMP_core.Gaussian___ne__(self, *args)
11613 def __le__(self, *args):
11615 __le__(Gaussian self, Gaussian o) -> bool
11616 __le__(Gaussian self, Particle d) -> bool
11618 return _IMP_core.Gaussian___le__(self, *args)
11620 def __lt__(self, *args):
11622 __lt__(Gaussian self, Gaussian o) -> bool
11623 __lt__(Gaussian self, Particle d) -> bool
11625 return _IMP_core.Gaussian___lt__(self, *args)
11627 def __ge__(self, *args):
11629 __ge__(Gaussian self, Gaussian o) -> bool
11630 __ge__(Gaussian self, Particle d) -> bool
11632 return _IMP_core.Gaussian___ge__(self, *args)
11634 def __gt__(self, *args):
11636 __gt__(Gaussian self, Gaussian o) -> bool
11637 __gt__(Gaussian self, Particle d) -> bool
11639 return _IMP_core.Gaussian___gt__(self, *args)
11641 def __hash__(self):
11642 r"""__hash__(Gaussian self) -> std::size_t"""
11643 return _IMP_core.Gaussian___hash__(self)
11646 r"""__str__(Gaussian self) -> std::string"""
11647 return _IMP_core.Gaussian___str__(self)
11649 def __repr__(self):
11650 r"""__repr__(Gaussian self) -> std::string"""
11651 return _IMP_core.Gaussian___repr__(self)
11653 def _get_as_binary(self):
11654 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11655 return _IMP_core.Gaussian__get_as_binary(self)
11657 def _set_from_binary(self, p):
11658 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11659 return _IMP_core.Gaussian__set_from_binary(self, p)
11661 def __getstate__(self):
11662 p = self._get_as_binary()
11663 if len(self.__dict__) > 1:
11664 d = self.__dict__.copy()
11669 def __setstate__(self, p):
11670 if not hasattr(self,
'this'):
11672 if isinstance(p, tuple):
11674 self.__dict__.update(d)
11675 return self._set_from_binary(p)
11677 __swig_destroy__ = _IMP_core.delete_Gaussian
11680 _IMP_core.Gaussian_swigregister(Gaussian)
11682 r"""Proxy of C++ IMP::core::PairRestraint class."""
11684 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11686 def __init__(self, *args):
11688 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11689 __init__(PairRestraint self) -> PairRestraint
11691 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11693 def get_score_object(self):
11694 r"""get_score_object(PairRestraint self) -> PairScore"""
11695 return _IMP_core.PairRestraint_get_score_object(self)
11698 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11699 return _IMP_core.PairRestraint_get_index(self)
11701 def get_version_info(self):
11702 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11703 return _IMP_core.PairRestraint_get_version_info(self)
11704 __swig_destroy__ = _IMP_core.delete_PairRestraint
11707 r"""__str__(PairRestraint self) -> std::string"""
11708 return _IMP_core.PairRestraint___str__(self)
11710 def __repr__(self):
11711 r"""__repr__(PairRestraint self) -> std::string"""
11712 return _IMP_core.PairRestraint___repr__(self)
11716 return _object_cast_to_PairRestraint(o)
11719 def _get_as_binary(self):
11720 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11721 return _IMP_core.PairRestraint__get_as_binary(self)
11723 def _set_from_binary(self, p):
11724 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11725 return _IMP_core.PairRestraint__set_from_binary(self, p)
11727 def __getstate__(self):
11728 p = self._get_as_binary()
11729 if len(self.__dict__) > 1:
11730 d = self.__dict__.copy()
11735 def __setstate__(self, p):
11736 if not hasattr(self,
'this'):
11738 if isinstance(p, tuple):
11740 self.__dict__.update(d)
11741 return self._set_from_binary(p)
11744 def _get_jax(self, space):
11745 from .
import _jax_util
11746 return _jax_util._get_jax_restraint(self, space)
11750 _IMP_core.PairRestraint_swigregister(PairRestraint)
11752 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11756 def __init__(self, *args):
11758 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11759 __init__(SingletonRestraint self) -> SingletonRestraint
11761 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11763 def get_score_object(self):
11764 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11765 return _IMP_core.SingletonRestraint_get_score_object(self)
11768 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11769 return _IMP_core.SingletonRestraint_get_index(self)
11771 def get_version_info(self):
11772 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11773 return _IMP_core.SingletonRestraint_get_version_info(self)
11774 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11777 r"""__str__(SingletonRestraint self) -> std::string"""
11778 return _IMP_core.SingletonRestraint___str__(self)
11780 def __repr__(self):
11781 r"""__repr__(SingletonRestraint self) -> std::string"""
11782 return _IMP_core.SingletonRestraint___repr__(self)
11786 return _object_cast_to_SingletonRestraint(o)
11789 def _get_as_binary(self):
11790 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11791 return _IMP_core.SingletonRestraint__get_as_binary(self)
11793 def _set_from_binary(self, p):
11794 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11795 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11797 def __getstate__(self):
11798 p = self._get_as_binary()
11799 if len(self.__dict__) > 1:
11800 d = self.__dict__.copy()
11805 def __setstate__(self, p):
11806 if not hasattr(self,
'this'):
11808 if isinstance(p, tuple):
11810 self.__dict__.update(d)
11811 return self._set_from_binary(p)
11814 def _get_jax(self, space):
11815 from .
import _jax_util
11816 return _jax_util._get_jax_restraint(self, space)
11820 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11822 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11824 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11826 def __init__(self, *args):
11828 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11829 __init__(TripletRestraint self) -> TripletRestraint
11831 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11833 def get_score_object(self):
11834 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11835 return _IMP_core.TripletRestraint_get_score_object(self)
11838 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11839 return _IMP_core.TripletRestraint_get_index(self)
11841 def get_version_info(self):
11842 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11843 return _IMP_core.TripletRestraint_get_version_info(self)
11844 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11847 r"""__str__(TripletRestraint self) -> std::string"""
11848 return _IMP_core.TripletRestraint___str__(self)
11850 def __repr__(self):
11851 r"""__repr__(TripletRestraint self) -> std::string"""
11852 return _IMP_core.TripletRestraint___repr__(self)
11856 return _object_cast_to_TripletRestraint(o)
11859 def _get_as_binary(self):
11860 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11861 return _IMP_core.TripletRestraint__get_as_binary(self)
11863 def _set_from_binary(self, p):
11864 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11865 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11867 def __getstate__(self):
11868 p = self._get_as_binary()
11869 if len(self.__dict__) > 1:
11870 d = self.__dict__.copy()
11875 def __setstate__(self, p):
11876 if not hasattr(self,
'this'):
11878 if isinstance(p, tuple):
11880 self.__dict__.update(d)
11881 return self._set_from_binary(p)
11885 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11887 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11889 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11891 def __init__(self, *args):
11893 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11894 __init__(QuadRestraint self) -> QuadRestraint
11896 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11898 def get_score_object(self):
11899 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11900 return _IMP_core.QuadRestraint_get_score_object(self)
11903 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11904 return _IMP_core.QuadRestraint_get_index(self)
11906 def get_version_info(self):
11907 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11908 return _IMP_core.QuadRestraint_get_version_info(self)
11909 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11912 r"""__str__(QuadRestraint self) -> std::string"""
11913 return _IMP_core.QuadRestraint___str__(self)
11915 def __repr__(self):
11916 r"""__repr__(QuadRestraint self) -> std::string"""
11917 return _IMP_core.QuadRestraint___repr__(self)
11921 return _object_cast_to_QuadRestraint(o)
11924 def _get_as_binary(self):
11925 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11926 return _IMP_core.QuadRestraint__get_as_binary(self)
11928 def _set_from_binary(self, p):
11929 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11930 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11932 def __getstate__(self):
11933 p = self._get_as_binary()
11934 if len(self.__dict__) > 1:
11935 d = self.__dict__.copy()
11940 def __setstate__(self, p):
11941 if not hasattr(self,
'this'):
11943 if isinstance(p, tuple):
11945 self.__dict__.update(d)
11946 return self._set_from_binary(p)
11950 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11952 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11956 def __init__(self, *args):
11958 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11959 __init__(SingletonConstraint self) -> SingletonConstraint
11961 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11963 def get_before_modifier(self):
11964 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11965 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11968 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11969 return _IMP_core.SingletonConstraint_get_index(self)
11971 def get_version_info(self):
11972 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11973 return _IMP_core.SingletonConstraint_get_version_info(self)
11974 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11977 r"""__str__(SingletonConstraint self) -> std::string"""
11978 return _IMP_core.SingletonConstraint___str__(self)
11980 def __repr__(self):
11981 r"""__repr__(SingletonConstraint self) -> std::string"""
11982 return _IMP_core.SingletonConstraint___repr__(self)
11986 return _object_cast_to_SingletonConstraint(o)
11989 def _get_as_binary(self):
11990 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11991 return _IMP_core.SingletonConstraint__get_as_binary(self)
11993 def _set_from_binary(self, p):
11994 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11995 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11997 def __getstate__(self):
11998 p = self._get_as_binary()
11999 if len(self.__dict__) > 1:
12000 d = self.__dict__.copy()
12005 def __setstate__(self, p):
12006 if not hasattr(self,
'this'):
12008 if isinstance(p, tuple):
12010 self.__dict__.update(d)
12011 return self._set_from_binary(p)
12014 def _get_jax(self):
12015 import jax.numpy
as jnp
12016 indexes = jnp.array([self.get_index()])
12017 mod = self.get_before_modifier().get_derived_object()
12018 ji = mod._get_jax(self.get_model(), indexes)
12019 return self._wrap_jax(ji.apply_func, keys=ji._keys)
12023 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
12025 r"""Proxy of C++ IMP::core::PairConstraint class."""
12027 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12029 def __init__(self, *args):
12031 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
12032 __init__(PairConstraint self) -> PairConstraint
12034 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
12036 def get_before_modifier(self):
12037 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
12038 return _IMP_core.PairConstraint_get_before_modifier(self)
12041 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
12042 return _IMP_core.PairConstraint_get_index(self)
12044 def get_version_info(self):
12045 r"""get_version_info(PairConstraint self) -> VersionInfo"""
12046 return _IMP_core.PairConstraint_get_version_info(self)
12047 __swig_destroy__ = _IMP_core.delete_PairConstraint
12050 r"""__str__(PairConstraint self) -> std::string"""
12051 return _IMP_core.PairConstraint___str__(self)
12053 def __repr__(self):
12054 r"""__repr__(PairConstraint self) -> std::string"""
12055 return _IMP_core.PairConstraint___repr__(self)
12059 return _object_cast_to_PairConstraint(o)
12062 def _get_as_binary(self):
12063 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12064 return _IMP_core.PairConstraint__get_as_binary(self)
12066 def _set_from_binary(self, p):
12067 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12068 return _IMP_core.PairConstraint__set_from_binary(self, p)
12070 def __getstate__(self):
12071 p = self._get_as_binary()
12072 if len(self.__dict__) > 1:
12073 d = self.__dict__.copy()
12078 def __setstate__(self, p):
12079 if not hasattr(self,
'this'):
12081 if isinstance(p, tuple):
12083 self.__dict__.update(d)
12084 return self._set_from_binary(p)
12088 _IMP_core.PairConstraint_swigregister(PairConstraint)
12090 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12094 def __init__(self, *args):
12096 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12097 __init__(TripletConstraint self) -> TripletConstraint
12099 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12101 def get_before_modifier(self):
12102 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12103 return _IMP_core.TripletConstraint_get_before_modifier(self)
12106 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12107 return _IMP_core.TripletConstraint_get_index(self)
12109 def get_version_info(self):
12110 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12111 return _IMP_core.TripletConstraint_get_version_info(self)
12112 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12115 r"""__str__(TripletConstraint self) -> std::string"""
12116 return _IMP_core.TripletConstraint___str__(self)
12118 def __repr__(self):
12119 r"""__repr__(TripletConstraint self) -> std::string"""
12120 return _IMP_core.TripletConstraint___repr__(self)
12124 return _object_cast_to_TripletConstraint(o)
12127 def _get_as_binary(self):
12128 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12129 return _IMP_core.TripletConstraint__get_as_binary(self)
12131 def _set_from_binary(self, p):
12132 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12133 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12135 def __getstate__(self):
12136 p = self._get_as_binary()
12137 if len(self.__dict__) > 1:
12138 d = self.__dict__.copy()
12143 def __setstate__(self, p):
12144 if not hasattr(self,
'this'):
12146 if isinstance(p, tuple):
12148 self.__dict__.update(d)
12149 return self._set_from_binary(p)
12153 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12155 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12157 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12159 def __init__(self, *args):
12161 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12162 __init__(QuadConstraint self) -> QuadConstraint
12164 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12166 def get_before_modifier(self):
12167 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12168 return _IMP_core.QuadConstraint_get_before_modifier(self)
12171 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12172 return _IMP_core.QuadConstraint_get_index(self)
12174 def get_version_info(self):
12175 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12176 return _IMP_core.QuadConstraint_get_version_info(self)
12177 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12180 r"""__str__(QuadConstraint self) -> std::string"""
12181 return _IMP_core.QuadConstraint___str__(self)
12183 def __repr__(self):
12184 r"""__repr__(QuadConstraint self) -> std::string"""
12185 return _IMP_core.QuadConstraint___repr__(self)
12189 return _object_cast_to_QuadConstraint(o)
12192 def _get_as_binary(self):
12193 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12194 return _IMP_core.QuadConstraint__get_as_binary(self)
12196 def _set_from_binary(self, p):
12197 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12198 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12200 def __getstate__(self):
12201 p = self._get_as_binary()
12202 if len(self.__dict__) > 1:
12203 d = self.__dict__.copy()
12208 def __setstate__(self, p):
12209 if not hasattr(self,
'this'):
12211 if isinstance(p, tuple):
12213 self.__dict__.update(d)
12214 return self._set_from_binary(p)
12218 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12220 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12222 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12224 def __init__(self, *args):
12226 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12227 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12229 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12231 def do_get_inputs(self, arg2, arg3):
12232 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12233 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12235 def get_value(self, *args):
12237 get_value(ConstantSingletonPredicate self, Particle a) -> int
12238 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12240 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12242 def get_value_index(self, *args):
12244 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12245 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12247 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12249 def get_version_info(self):
12250 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12251 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12252 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12255 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12256 return _IMP_core.ConstantSingletonPredicate___str__(self)
12258 def __repr__(self):
12259 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12260 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12264 return _object_cast_to_ConstantSingletonPredicate(o)
12267 def _get_as_binary(self):
12268 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12269 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12271 def _set_from_binary(self, p):
12272 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12273 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12275 def __getstate__(self):
12276 p = self._get_as_binary()
12277 if len(self.__dict__) > 1:
12278 d = self.__dict__.copy()
12283 def __setstate__(self, p):
12284 if not hasattr(self,
'this'):
12286 if isinstance(p, tuple):
12288 self.__dict__.update(d)
12289 return self._set_from_binary(p)
12293 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12295 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12299 def __init__(self, *args):
12300 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12301 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12303 def do_get_inputs(self, m, pis):
12304 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12305 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12307 def get_value(self, *args):
12309 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12310 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12312 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12314 def get_value_index(self, *args):
12316 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12317 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12319 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12321 def get_version_info(self):
12322 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12323 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12324 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12327 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12328 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12330 def __repr__(self):
12331 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12332 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12336 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12339 def _get_as_binary(self):
12340 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12341 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12343 def _set_from_binary(self, p):
12344 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12345 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12347 def __getstate__(self):
12348 p = self._get_as_binary()
12349 if len(self.__dict__) > 1:
12350 d = self.__dict__.copy()
12355 def __setstate__(self, p):
12356 if not hasattr(self,
'this'):
12358 if isinstance(p, tuple):
12360 self.__dict__.update(d)
12361 return self._set_from_binary(p)
12365 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12367 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12371 def __init__(self, *args):
12372 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12373 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12375 def do_get_inputs(self, m, pis):
12376 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12377 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12379 def get_value(self, *args):
12381 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12382 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12383 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12385 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12387 def get_value_index(self, *args):
12389 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12390 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12392 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12394 def get_version_info(self):
12395 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12396 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12397 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12400 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12401 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12403 def __repr__(self):
12404 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12405 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12409 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12413 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12415 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12417 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12419 def __init__(self, *args):
12420 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12421 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12423 def do_get_inputs(self, arg2, arg3):
12424 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12425 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12427 def get_value(self, *args):
12429 get_value(AllSameSingletonPredicate self, Particle a) -> int
12430 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12432 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12434 def get_value_index(self, *args):
12436 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12437 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12439 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12441 def get_version_info(self):
12442 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12443 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12444 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12447 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12448 return _IMP_core.AllSameSingletonPredicate___str__(self)
12450 def __repr__(self):
12451 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12452 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12456 return _object_cast_to_AllSameSingletonPredicate(o)
12459 def _get_as_binary(self):
12460 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12461 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12463 def _set_from_binary(self, p):
12464 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12465 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12467 def __getstate__(self):
12468 p = self._get_as_binary()
12469 if len(self.__dict__) > 1:
12470 d = self.__dict__.copy()
12475 def __setstate__(self, p):
12476 if not hasattr(self,
'this'):
12478 if isinstance(p, tuple):
12480 self.__dict__.update(d)
12481 return self._set_from_binary(p)
12485 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12487 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12491 def __init__(self, *args):
12492 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12493 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12495 def do_get_inputs(self, arg2, arg3):
12496 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12497 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12499 def get_value(self, *args):
12501 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12502 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12504 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12506 def get_value_index(self, *args):
12508 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12509 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12511 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12513 def get_version_info(self):
12514 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12515 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12516 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12519 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12520 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12522 def __repr__(self):
12523 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12524 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12528 return _object_cast_to_CoinFlipSingletonPredicate(o)
12532 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12534 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12538 def __init__(self, *args):
12540 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12541 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12543 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12545 def do_get_inputs(self, arg2, arg3):
12546 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12547 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12549 def get_value(self, *args):
12551 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12552 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12554 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12556 def get_value_index(self, *args):
12558 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12559 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12561 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12563 def get_version_info(self):
12564 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12565 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12566 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12569 r"""__str__(ConstantPairPredicate self) -> std::string"""
12570 return _IMP_core.ConstantPairPredicate___str__(self)
12572 def __repr__(self):
12573 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12574 return _IMP_core.ConstantPairPredicate___repr__(self)
12578 return _object_cast_to_ConstantPairPredicate(o)
12581 def _get_as_binary(self):
12582 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12583 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12585 def _set_from_binary(self, p):
12586 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12587 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12589 def __getstate__(self):
12590 p = self._get_as_binary()
12591 if len(self.__dict__) > 1:
12592 d = self.__dict__.copy()
12597 def __setstate__(self, p):
12598 if not hasattr(self,
'this'):
12600 if isinstance(p, tuple):
12602 self.__dict__.update(d)
12603 return self._set_from_binary(p)
12607 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12609 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12613 def __init__(self, *args):
12614 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12615 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12617 def do_get_inputs(self, m, pis):
12618 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12619 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12621 def get_value(self, *args):
12623 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12624 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12626 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12628 def get_value_index(self, *args):
12630 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12631 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12633 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12635 def get_version_info(self):
12636 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12637 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12638 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12641 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12642 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12644 def __repr__(self):
12645 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12646 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12650 return _object_cast_to_UnorderedTypePairPredicate(o)
12653 def _get_as_binary(self):
12654 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12655 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12657 def _set_from_binary(self, p):
12658 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12659 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12661 def __getstate__(self):
12662 p = self._get_as_binary()
12663 if len(self.__dict__) > 1:
12664 d = self.__dict__.copy()
12669 def __setstate__(self, p):
12670 if not hasattr(self,
'this'):
12672 if isinstance(p, tuple):
12674 self.__dict__.update(d)
12675 return self._set_from_binary(p)
12679 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12681 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12685 def __init__(self, *args):
12686 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12687 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12689 def do_get_inputs(self, m, pis):
12690 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12691 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12693 def get_value(self, *args):
12695 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12696 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12697 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12699 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12701 def get_value_index(self, *args):
12703 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12704 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12706 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12708 def get_version_info(self):
12709 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12710 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12711 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12714 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12715 return _IMP_core.OrderedTypePairPredicate___str__(self)
12717 def __repr__(self):
12718 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12719 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12723 return _object_cast_to_OrderedTypePairPredicate(o)
12727 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12729 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12733 def __init__(self, *args):
12734 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12735 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12737 def do_get_inputs(self, arg2, arg3):
12738 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12739 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12741 def get_value(self, *args):
12743 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12744 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12746 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12748 def get_value_index(self, *args):
12750 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12751 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12753 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12755 def get_version_info(self):
12756 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12757 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12758 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12761 r"""__str__(AllSamePairPredicate self) -> std::string"""
12762 return _IMP_core.AllSamePairPredicate___str__(self)
12764 def __repr__(self):
12765 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12766 return _IMP_core.AllSamePairPredicate___repr__(self)
12770 return _object_cast_to_AllSamePairPredicate(o)
12773 def _get_as_binary(self):
12774 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12775 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12777 def _set_from_binary(self, p):
12778 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12779 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12781 def __getstate__(self):
12782 p = self._get_as_binary()
12783 if len(self.__dict__) > 1:
12784 d = self.__dict__.copy()
12789 def __setstate__(self, p):
12790 if not hasattr(self,
'this'):
12792 if isinstance(p, tuple):
12794 self.__dict__.update(d)
12795 return self._set_from_binary(p)
12799 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12801 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12805 def __init__(self, *args):
12806 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12807 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12809 def do_get_inputs(self, arg2, arg3):
12810 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12811 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12813 def get_value(self, *args):
12815 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12816 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12818 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12820 def get_value_index(self, *args):
12822 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12823 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12825 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12827 def get_version_info(self):
12828 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12829 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12830 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12833 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12834 return _IMP_core.CoinFlipPairPredicate___str__(self)
12836 def __repr__(self):
12837 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12838 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12842 return _object_cast_to_CoinFlipPairPredicate(o)
12846 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12848 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12850 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12852 def __init__(self, *args):
12854 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12855 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12857 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12859 def do_get_inputs(self, arg2, arg3):
12860 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12861 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12863 def get_value(self, *args):
12865 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12866 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12868 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12870 def get_value_index(self, *args):
12872 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12873 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12875 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12877 def get_version_info(self):
12878 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12879 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12880 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12883 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12884 return _IMP_core.ConstantTripletPredicate___str__(self)
12886 def __repr__(self):
12887 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12888 return _IMP_core.ConstantTripletPredicate___repr__(self)
12892 return _object_cast_to_ConstantTripletPredicate(o)
12895 def _get_as_binary(self):
12896 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12897 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12899 def _set_from_binary(self, p):
12900 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12901 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12903 def __getstate__(self):
12904 p = self._get_as_binary()
12905 if len(self.__dict__) > 1:
12906 d = self.__dict__.copy()
12911 def __setstate__(self, p):
12912 if not hasattr(self,
'this'):
12914 if isinstance(p, tuple):
12916 self.__dict__.update(d)
12917 return self._set_from_binary(p)
12921 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12923 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12925 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12927 def __init__(self, *args):
12928 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12929 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12931 def do_get_inputs(self, m, pis):
12932 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12933 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12935 def get_value(self, *args):
12937 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12938 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12940 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12942 def get_value_index(self, *args):
12944 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12945 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12947 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12949 def get_version_info(self):
12950 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12951 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12952 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12955 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12956 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12958 def __repr__(self):
12959 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12960 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12964 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12967 def _get_as_binary(self):
12968 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12969 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12971 def _set_from_binary(self, p):
12972 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12973 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12975 def __getstate__(self):
12976 p = self._get_as_binary()
12977 if len(self.__dict__) > 1:
12978 d = self.__dict__.copy()
12983 def __setstate__(self, p):
12984 if not hasattr(self,
'this'):
12986 if isinstance(p, tuple):
12988 self.__dict__.update(d)
12989 return self._set_from_binary(p)
12993 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12995 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12997 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12999 def __init__(self, *args):
13000 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
13001 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
13003 def do_get_inputs(self, m, pis):
13004 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13005 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13007 def get_value(self, *args):
13009 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
13010 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13011 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13013 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
13015 def get_value_index(self, *args):
13017 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13018 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13020 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
13022 def get_version_info(self):
13023 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
13024 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
13025 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
13028 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
13029 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
13031 def __repr__(self):
13032 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
13033 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
13037 return _object_cast_to_OrderedTypeTripletPredicate(o)
13041 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
13043 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
13045 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13047 def __init__(self, *args):
13048 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
13049 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
13051 def do_get_inputs(self, arg2, arg3):
13052 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13053 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13055 def get_value(self, *args):
13057 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13058 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13060 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13062 def get_value_index(self, *args):
13064 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13065 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13067 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13069 def get_version_info(self):
13070 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13071 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13072 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13075 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13076 return _IMP_core.AllSameTripletPredicate___str__(self)
13078 def __repr__(self):
13079 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13080 return _IMP_core.AllSameTripletPredicate___repr__(self)
13084 return _object_cast_to_AllSameTripletPredicate(o)
13087 def _get_as_binary(self):
13088 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13089 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13091 def _set_from_binary(self, p):
13092 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13093 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13095 def __getstate__(self):
13096 p = self._get_as_binary()
13097 if len(self.__dict__) > 1:
13098 d = self.__dict__.copy()
13103 def __setstate__(self, p):
13104 if not hasattr(self,
'this'):
13106 if isinstance(p, tuple):
13108 self.__dict__.update(d)
13109 return self._set_from_binary(p)
13113 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13115 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13119 def __init__(self, *args):
13120 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13121 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13123 def do_get_inputs(self, arg2, arg3):
13124 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13125 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13127 def get_value(self, *args):
13129 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13130 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13132 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13134 def get_value_index(self, *args):
13136 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13137 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13139 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13141 def get_version_info(self):
13142 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13143 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13144 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13147 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13148 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13150 def __repr__(self):
13151 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13152 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13156 return _object_cast_to_CoinFlipTripletPredicate(o)
13160 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13162 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13166 def __init__(self, *args):
13168 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13169 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13171 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13173 def do_get_inputs(self, arg2, arg3):
13174 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13175 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13177 def get_value(self, *args):
13179 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13180 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13182 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13184 def get_value_index(self, *args):
13186 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13187 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13189 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13191 def get_version_info(self):
13192 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13193 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13194 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13197 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13198 return _IMP_core.ConstantQuadPredicate___str__(self)
13200 def __repr__(self):
13201 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13202 return _IMP_core.ConstantQuadPredicate___repr__(self)
13206 return _object_cast_to_ConstantQuadPredicate(o)
13209 def _get_as_binary(self):
13210 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13211 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13213 def _set_from_binary(self, p):
13214 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13215 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13217 def __getstate__(self):
13218 p = self._get_as_binary()
13219 if len(self.__dict__) > 1:
13220 d = self.__dict__.copy()
13225 def __setstate__(self, p):
13226 if not hasattr(self,
'this'):
13228 if isinstance(p, tuple):
13230 self.__dict__.update(d)
13231 return self._set_from_binary(p)
13235 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13237 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13239 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13241 def __init__(self, *args):
13242 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13243 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13245 def do_get_inputs(self, m, pis):
13246 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13247 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13249 def get_value(self, *args):
13251 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13252 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13254 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13256 def get_value_index(self, *args):
13258 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13259 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13261 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13263 def get_version_info(self):
13264 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13265 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13266 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13269 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13270 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13272 def __repr__(self):
13273 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13274 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13278 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13281 def _get_as_binary(self):
13282 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13283 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13285 def _set_from_binary(self, p):
13286 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13287 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13289 def __getstate__(self):
13290 p = self._get_as_binary()
13291 if len(self.__dict__) > 1:
13292 d = self.__dict__.copy()
13297 def __setstate__(self, p):
13298 if not hasattr(self,
'this'):
13300 if isinstance(p, tuple):
13302 self.__dict__.update(d)
13303 return self._set_from_binary(p)
13307 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13309 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13311 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13313 def __init__(self, *args):
13314 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13315 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13317 def do_get_inputs(self, m, pis):
13318 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13319 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13321 def get_value(self, *args):
13323 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13324 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13325 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13327 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13329 def get_value_index(self, *args):
13331 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13332 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13334 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13336 def get_version_info(self):
13337 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13338 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13339 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13342 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13343 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13345 def __repr__(self):
13346 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13347 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13351 return _object_cast_to_OrderedTypeQuadPredicate(o)
13355 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13357 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13361 def __init__(self, *args):
13362 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13363 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13365 def do_get_inputs(self, arg2, arg3):
13366 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13367 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13369 def get_value(self, *args):
13371 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13372 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13374 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13376 def get_value_index(self, *args):
13378 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13379 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13381 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13383 def get_version_info(self):
13384 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13385 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13386 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13389 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13390 return _IMP_core.AllSameQuadPredicate___str__(self)
13392 def __repr__(self):
13393 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13394 return _IMP_core.AllSameQuadPredicate___repr__(self)
13398 return _object_cast_to_AllSameQuadPredicate(o)
13401 def _get_as_binary(self):
13402 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13403 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13405 def _set_from_binary(self, p):
13406 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13407 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13409 def __getstate__(self):
13410 p = self._get_as_binary()
13411 if len(self.__dict__) > 1:
13412 d = self.__dict__.copy()
13417 def __setstate__(self, p):
13418 if not hasattr(self,
'this'):
13420 if isinstance(p, tuple):
13422 self.__dict__.update(d)
13423 return self._set_from_binary(p)
13427 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13429 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13431 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13433 def __init__(self, *args):
13434 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13435 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13437 def do_get_inputs(self, arg2, arg3):
13438 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13439 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13441 def get_value(self, *args):
13443 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13444 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13446 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13448 def get_value_index(self, *args):
13450 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13451 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13453 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13455 def get_version_info(self):
13456 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13457 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13458 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13461 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13462 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13464 def __repr__(self):
13465 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13466 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13470 return _object_cast_to_CoinFlipQuadPredicate(o)
13474 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13476 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13478 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13480 def __init__(self, *args):
13481 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13482 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13484 def do_get_inputs(self, m, pi):
13485 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13486 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13488 def get_value(self, *args):
13490 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13491 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13493 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13495 def get_value_index(self, *args):
13497 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13498 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13500 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13502 def get_version_info(self):
13503 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13504 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13505 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13508 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13509 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13511 def __repr__(self):
13512 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13513 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13517 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13521 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13523 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13527 def __init__(self, *args):
13528 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13529 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13531 def do_get_inputs(self, m, pi):
13532 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13533 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13535 def get_value(self, *args):
13537 get_value(AttributeSingletonPredicate self, Particle a) -> int
13538 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13540 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13542 def get_value_index(self, *args):
13544 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13545 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13547 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13549 def get_version_info(self):
13550 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13551 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13552 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13555 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13556 return _IMP_core.AttributeSingletonPredicate___str__(self)
13558 def __repr__(self):
13559 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13560 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13564 return _object_cast_to_AttributeSingletonPredicate(o)
13568 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13570 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13574 def __init__(self, *args):
13575 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13576 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13578 def do_get_inputs(self, m, pi):
13579 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13580 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13582 def get_value(self, *args):
13584 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13585 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13587 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13589 def get_value_index(self, *args):
13591 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13592 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13594 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13596 def get_version_info(self):
13597 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13598 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13599 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13602 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13603 return _IMP_core.IsCollisionPairPredicate___str__(self)
13605 def __repr__(self):
13606 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13607 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13611 return _object_cast_to_IsCollisionPairPredicate(o)
13615 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13616 class AngleRestraint(TripletRestraint):
13617 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13619 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13621 def __init__(self, *args):
13623 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13624 __init__(AngleRestraint self) -> AngleRestraint
13626 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13627 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13630 r"""__str__(AngleRestraint self) -> std::string"""
13631 return _IMP_core.AngleRestraint___str__(self)
13633 def __repr__(self):
13634 r"""__repr__(AngleRestraint self) -> std::string"""
13635 return _IMP_core.AngleRestraint___repr__(self)
13639 return _object_cast_to_AngleRestraint(o)
13642 def _get_as_binary(self):
13643 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13644 return _IMP_core.AngleRestraint__get_as_binary(self)
13646 def _set_from_binary(self, p):
13647 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13648 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13650 def __getstate__(self):
13651 p = self._get_as_binary()
13652 if len(self.__dict__) > 1:
13653 d = self.__dict__.copy()
13658 def __setstate__(self, p):
13659 if not hasattr(self,
'this'):
13661 if isinstance(p, tuple):
13663 self.__dict__.update(d)
13664 return self._set_from_binary(p)
13668 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13669 class RigidBodyMover(MonteCarloMover):
13670 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13674 def __init__(self, *args):
13676 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13677 __init__(RigidBodyMover self) -> RigidBodyMover
13679 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13681 def set_maximum_translation(self, mt):
13682 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13683 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13685 def set_maximum_rotation(self, mr):
13686 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13687 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13689 def get_maximum_translation(self):
13690 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13691 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13693 def get_maximum_rotation(self):
13694 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13695 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13698 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13699 return _IMP_core.RigidBodyMover_get_index(self)
13701 def get_version_info(self):
13702 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13703 return _IMP_core.RigidBodyMover_get_version_info(self)
13704 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13707 r"""__str__(RigidBodyMover self) -> std::string"""
13708 return _IMP_core.RigidBodyMover___str__(self)
13710 def __repr__(self):
13711 r"""__repr__(RigidBodyMover self) -> std::string"""
13712 return _IMP_core.RigidBodyMover___repr__(self)
13716 return _object_cast_to_RigidBodyMover(o)
13719 def _get_as_binary(self):
13720 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13721 return _IMP_core.RigidBodyMover__get_as_binary(self)
13723 def _set_from_binary(self, p):
13724 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13725 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13727 def __getstate__(self):
13728 p = self._get_as_binary()
13729 if len(self.__dict__) > 1:
13730 d = self.__dict__.copy()
13735 def __setstate__(self, p):
13736 if not hasattr(self,
'this'):
13738 if isinstance(p, tuple):
13740 self.__dict__.update(d)
13741 return self._set_from_binary(p)
13744 def _get_jax(self, space):
13746 import IMP.core._jax_rigid
13747 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13748 get_random_vector_in_3d_sphere,
13749 get_rotation_about_normalized_axis,
13750 _quaternion_multiply)
13751 max_angle = self.get_maximum_rotation()
13752 max_translation = self.get_maximum_translation()
13753 particle_index = self.get_index()
13754 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13755 self.get_model(), self.get_index())
13757 def init_func(key):
13760 def propose_func(jm, key):
13761 body = jm[
'rigid_bodies'].bodies[body_index]
13762 tf = body.get_transformation(jm)
13764 if max_translation > 0:
13765 key, subkey = jax.random.split(key)
13766 tf.translation = space.shift(
13768 get_random_vector_in_3d_sphere(subkey, max_translation)[0])
13770 key, subkey1, subkey2 = jax.random.split(key, 3)
13771 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13772 angle = jax.random.uniform(
13773 subkey2, minval=-max_angle, maxval=max_angle)
13775 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13776 jm = body.set_transformation_lazy(tf, jm)
13777 return jm, key, 1.0
13779 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13783 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13784 class RigidBodyTunneler(MonteCarloMover):
13785 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13787 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13789 def __init__(self, m, pis, ref, k, move_probability=1.):
13790 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13791 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13793 def add_entry_point(self, fl):
13794 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13795 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13797 def reset_stats(self):
13798 r"""reset_stats(RigidBodyTunneler self)"""
13799 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13801 def get_number_of_rejected_moves(self):
13802 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13803 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13805 def get_number_of_proposed_moves(self):
13806 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13807 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13809 def get_number_of_impossible_moves(self):
13810 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13811 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13813 def get_number_of_calls(self):
13814 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13815 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13818 def get_reduced_coordinates(*args):
13820 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13821 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13823 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13826 def set_reduced_coordinates(m, target, ref, coords):
13827 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13828 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13830 def get_version_info(self):
13831 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13832 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13833 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13836 r"""__str__(RigidBodyTunneler self) -> std::string"""
13837 return _IMP_core.RigidBodyTunneler___str__(self)
13839 def __repr__(self):
13840 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13841 return _IMP_core.RigidBodyTunneler___repr__(self)
13845 return _object_cast_to_RigidBodyTunneler(o)
13849 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13851 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13853 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13855 def __init__(self, *args):
13857 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13858 __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
13860 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13862 def set_x0(self, *args):
13864 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13865 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13867 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13870 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13871 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13874 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13875 return _IMP_core.RigidBodyUmbrella_get_x(self)
13877 def set_alpha(self, alpha):
13878 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13879 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13881 def set_k(self, k):
13882 r"""set_k(RigidBodyUmbrella self, double k)"""
13883 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13885 def get_version_info(self):
13886 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13887 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13888 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13891 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13892 return _IMP_core.RigidBodyUmbrella___str__(self)
13894 def __repr__(self):
13895 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13896 return _IMP_core.RigidBodyUmbrella___repr__(self)
13900 return _object_cast_to_RigidBodyUmbrella(o)
13904 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13906 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13908 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13910 def __init__(self, f, sc, volume):
13911 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13912 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13914 def do_get_inputs(self):
13915 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13916 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13918 def get_version_info(self):
13919 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13920 return _IMP_core.VolumeRestraint_get_version_info(self)
13921 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13924 r"""__str__(VolumeRestraint self) -> std::string"""
13925 return _IMP_core.VolumeRestraint___str__(self)
13927 def __repr__(self):
13928 r"""__repr__(VolumeRestraint self) -> std::string"""
13929 return _IMP_core.VolumeRestraint___repr__(self)
13933 return _object_cast_to_VolumeRestraint(o)
13937 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13940 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13941 return _IMP_core.get_centroid(ps)
13944 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13945 return _IMP_core.get_bounding_box(ps)
13947 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13949 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13951 def __init__(self, ps):
13952 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13953 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13955 def show_statistics(self, *args):
13956 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13957 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13960 r"""reset(MoveStatisticsScoreState self)"""
13961 return _IMP_core.MoveStatisticsScoreState_reset(self)
13963 def do_before_evaluate(self):
13964 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13965 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13967 def do_after_evaluate(self, da):
13968 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13969 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13971 def do_get_inputs(self):
13972 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13973 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13975 def do_get_outputs(self):
13976 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13977 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13979 def get_version_info(self):
13980 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13981 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13982 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13985 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13986 return _IMP_core.MoveStatisticsScoreState___str__(self)
13988 def __repr__(self):
13989 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13990 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13994 return _object_cast_to_MoveStatisticsScoreState(o)
13998 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13999 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
14002 r"""Proxy of C++ IMP::core::Typed class."""
14004 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14007 def get_type_key():
14008 r"""get_type_key() -> IntKey"""
14009 return _IMP_core.Typed_get_type_key()
14011 def __init__(self, *args):
14013 __init__(Typed self) -> Typed
14014 __init__(Typed self, Model m, ParticleIndex id) -> Typed
14015 __init__(Typed self, _ParticleAdaptor d) -> Typed
14017 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
14019 def show(self, *args):
14020 r"""show(Typed self, _ostream out=std::cout)"""
14021 return _IMP_core.Typed_show(self, *args)
14024 def setup_particle(*args):
14026 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
14027 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
14029 return _IMP_core.Typed_setup_particle(*args)
14032 def get_is_setup(*args):
14034 get_is_setup(_ParticleAdaptor p) -> bool
14035 get_is_setup(Model m, ParticleIndex pi) -> bool
14037 return _IMP_core.Typed_get_is_setup(*args)
14039 def get_type(self):
14040 r"""get_type(Typed self) -> ParticleType"""
14041 return _IMP_core.Typed_get_type(self)
14043 def set_type(self, pt):
14044 r"""set_type(Typed self, ParticleType pt)"""
14045 return _IMP_core.Typed_set_type(self, pt)
14047 def add_attribute(self, *args):
14049 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
14050 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
14051 add_attribute(Typed self, IntKey a0, IMP::Int a1)
14052 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
14053 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14054 add_attribute(Typed self, StringKey a0, IMP::String a1)
14055 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14056 add_attribute(Typed self, ObjectKey a0, Object a1)
14057 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14058 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14059 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14060 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14062 return _IMP_core.Typed_add_attribute(self, *args)
14064 def get_value(self, *args):
14066 get_value(Typed self, FloatKey a0) -> IMP::Float
14067 get_value(Typed self, IntKey a0) -> IMP::Int
14068 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14069 get_value(Typed self, IntsKey a0) -> IMP::Ints
14070 get_value(Typed self, StringKey a0) -> IMP::String
14071 get_value(Typed self, ParticleIndexKey a0) -> Particle
14072 get_value(Typed self, ObjectKey a0) -> Object
14073 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14074 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14075 get_value(Typed self, SparseStringKey a0) -> IMP::String
14076 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14078 return _IMP_core.Typed_get_value(self, *args)
14080 def set_value(self, *args):
14082 set_value(Typed self, FloatKey a0, IMP::Float a1)
14083 set_value(Typed self, IntKey a0, IMP::Int a1)
14084 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14085 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14086 set_value(Typed self, StringKey a0, IMP::String a1)
14087 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14088 set_value(Typed self, ObjectKey a0, Object a1)
14089 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14090 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14091 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14092 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14094 return _IMP_core.Typed_set_value(self, *args)
14096 def remove_attribute(self, *args):
14098 remove_attribute(Typed self, FloatKey a0)
14099 remove_attribute(Typed self, IntKey a0)
14100 remove_attribute(Typed self, FloatsKey a0)
14101 remove_attribute(Typed self, IntsKey a0)
14102 remove_attribute(Typed self, StringKey a0)
14103 remove_attribute(Typed self, ParticleIndexKey a0)
14104 remove_attribute(Typed self, ObjectKey a0)
14105 remove_attribute(Typed self, SparseFloatKey a0)
14106 remove_attribute(Typed self, SparseIntKey a0)
14107 remove_attribute(Typed self, SparseStringKey a0)
14108 remove_attribute(Typed self, SparseParticleIndexKey a0)
14110 return _IMP_core.Typed_remove_attribute(self, *args)
14112 def has_attribute(self, *args):
14114 has_attribute(Typed self, FloatKey a0) -> bool
14115 has_attribute(Typed self, IntKey a0) -> bool
14116 has_attribute(Typed self, FloatsKey a0) -> bool
14117 has_attribute(Typed self, IntsKey a0) -> bool
14118 has_attribute(Typed self, StringKey a0) -> bool
14119 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14120 has_attribute(Typed self, ObjectKey a0) -> bool
14121 has_attribute(Typed self, SparseFloatKey a0) -> bool
14122 has_attribute(Typed self, SparseIntKey a0) -> bool
14123 has_attribute(Typed self, SparseStringKey a0) -> bool
14124 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14126 return _IMP_core.Typed_has_attribute(self, *args)
14128 def get_derivative(self, a0):
14129 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14130 return _IMP_core.Typed_get_derivative(self, a0)
14132 def get_name(self):
14133 r"""get_name(Typed self) -> std::string"""
14134 return _IMP_core.Typed_get_name(self)
14136 def clear_caches(self):
14137 r"""clear_caches(Typed self)"""
14138 return _IMP_core.Typed_clear_caches(self)
14140 def set_name(self, a0):
14141 r"""set_name(Typed self, std::string a0)"""
14142 return _IMP_core.Typed_set_name(self, a0)
14145 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14146 return _IMP_core.Typed_set_check_level(self, a0)
14148 def add_to_derivative(self, a0, a1, a2):
14149 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14150 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14152 def set_is_optimized(self, a0, a1):
14153 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14154 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14156 def get_is_optimized(self, a0):
14157 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14158 return _IMP_core.Typed_get_is_optimized(self, a0)
14161 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14162 return _IMP_core.Typed_get_check_level(self)
14164 def __eq__(self, *args):
14166 __eq__(Typed self, Typed o) -> bool
14167 __eq__(Typed self, Particle d) -> bool
14169 return _IMP_core.Typed___eq__(self, *args)
14171 def __ne__(self, *args):
14173 __ne__(Typed self, Typed o) -> bool
14174 __ne__(Typed self, Particle d) -> bool
14176 return _IMP_core.Typed___ne__(self, *args)
14178 def __le__(self, *args):
14180 __le__(Typed self, Typed o) -> bool
14181 __le__(Typed self, Particle d) -> bool
14183 return _IMP_core.Typed___le__(self, *args)
14185 def __lt__(self, *args):
14187 __lt__(Typed self, Typed o) -> bool
14188 __lt__(Typed self, Particle d) -> bool
14190 return _IMP_core.Typed___lt__(self, *args)
14192 def __ge__(self, *args):
14194 __ge__(Typed self, Typed o) -> bool
14195 __ge__(Typed self, Particle d) -> bool
14197 return _IMP_core.Typed___ge__(self, *args)
14199 def __gt__(self, *args):
14201 __gt__(Typed self, Typed o) -> bool
14202 __gt__(Typed self, Particle d) -> bool
14204 return _IMP_core.Typed___gt__(self, *args)
14206 def __hash__(self):
14207 r"""__hash__(Typed self) -> std::size_t"""
14208 return _IMP_core.Typed___hash__(self)
14211 r"""__str__(Typed self) -> std::string"""
14212 return _IMP_core.Typed___str__(self)
14214 def __repr__(self):
14215 r"""__repr__(Typed self) -> std::string"""
14216 return _IMP_core.Typed___repr__(self)
14218 def _get_as_binary(self):
14219 r"""_get_as_binary(Typed self) -> PyObject *"""
14220 return _IMP_core.Typed__get_as_binary(self)
14222 def _set_from_binary(self, p):
14223 r"""_set_from_binary(Typed self, PyObject * p)"""
14224 return _IMP_core.Typed__set_from_binary(self, p)
14226 def __getstate__(self):
14227 p = self._get_as_binary()
14228 if len(self.__dict__) > 1:
14229 d = self.__dict__.copy()
14234 def __setstate__(self, p):
14235 if not hasattr(self,
'this'):
14237 if isinstance(p, tuple):
14239 self.__dict__.update(d)
14240 return self._set_from_binary(p)
14242 __swig_destroy__ = _IMP_core.delete_Typed
14245 _IMP_core.Typed_swigregister(Typed)
14247 def __lshift__(*args):
14249 __lshift__(_ostream out, XYZ n) -> _ostream
14250 __lshift__(_ostream out, XYZR n) -> _ostream
14251 __lshift__(_ostream out, Direction n) -> _ostream
14252 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14253 __lshift__(_ostream out, Surface n) -> _ostream
14254 __lshift__(_ostream out, Centroid n) -> _ostream
14255 __lshift__(_ostream out, Cover n) -> _ostream
14256 __lshift__(_ostream out, Reference n) -> _ostream
14257 __lshift__(_ostream out, RigidMember n) -> _ostream
14258 __lshift__(_ostream out, RigidBody n) -> _ostream
14259 __lshift__(_ostream out, Gaussian n) -> _ostream
14260 __lshift__(_ostream out, Typed n) -> _ostream
14262 return _IMP_core.__lshift__(*args)
14264 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14268 def __init__(self, rs, out):
14269 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14270 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14272 def get_version_info(self):
14273 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14274 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14275 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14278 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14279 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14281 def __repr__(self):
14282 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14283 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14287 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14291 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14294 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14295 return _IMP_core.assign_blame(rs, ps, attribute)
14298 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14299 return _IMP_core.create_blame_geometries(*args)
14301 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14305 def __init__(self, m, q1, q2):
14306 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14307 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14309 def add_term(self, term):
14310 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14311 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14313 def do_get_inputs(self):
14314 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14315 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14317 def get_version_info(self):
14318 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14319 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14320 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14323 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14324 return _IMP_core.MultipleBinormalRestraint___str__(self)
14326 def __repr__(self):
14327 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14328 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14332 return _object_cast_to_MultipleBinormalRestraint(o)
14336 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14337 class BinormalTerm(object):
14338 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14342 def __init__(self):
14343 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14344 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14346 def set_correlation(self, correlation):
14347 r"""set_correlation(BinormalTerm self, double correlation)"""
14348 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14350 def set_weight(self, weight):
14351 r"""set_weight(BinormalTerm self, double weight)"""
14352 return _IMP_core.BinormalTerm_set_weight(self, weight)
14354 def set_means(self, means):
14355 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14356 return _IMP_core.BinormalTerm_set_means(self, means)
14358 def set_standard_deviations(self, stdevs):
14359 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14360 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14362 def show(self, *args):
14363 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14364 return _IMP_core.BinormalTerm_show(self, *args)
14367 r"""__str__(BinormalTerm self) -> std::string"""
14368 return _IMP_core.BinormalTerm___str__(self)
14370 def __repr__(self):
14371 r"""__repr__(BinormalTerm self) -> std::string"""
14372 return _IMP_core.BinormalTerm___repr__(self)
14374 def _get_as_binary(self):
14375 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14376 return _IMP_core.BinormalTerm__get_as_binary(self)
14378 def _set_from_binary(self, p):
14379 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14380 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14382 def __getstate__(self):
14383 p = self._get_as_binary()
14384 if len(self.__dict__) > 1:
14385 d = self.__dict__.copy()
14390 def __setstate__(self, p):
14391 if not hasattr(self,
'this'):
14393 if isinstance(p, tuple):
14395 self.__dict__.update(d)
14396 return self._set_from_binary(p)
14398 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14401 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14403 r"""Proxy of C++ IMP::core::Provenance class."""
14405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14407 def get_previous(self):
14408 r"""get_previous(Provenance self) -> Provenance"""
14409 return _IMP_core.Provenance_get_previous(self)
14411 def set_previous(self, p):
14412 r"""set_previous(Provenance self, Provenance p)"""
14413 return _IMP_core.Provenance_set_previous(self, p)
14415 def __init__(self, *args):
14417 __init__(Provenance self) -> Provenance
14418 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14419 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14421 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14424 def get_is_setup(*args):
14426 get_is_setup(Model m, ParticleIndex pi) -> bool
14427 get_is_setup(_ParticleAdaptor p) -> bool
14429 return _IMP_core.Provenance_get_is_setup(*args)
14431 def show(self, *args):
14432 r"""show(Provenance self, _ostream out=std::cout)"""
14433 return _IMP_core.Provenance_show(self, *args)
14436 def setup_particle(*args):
14438 setup_particle(Model m, ParticleIndex pi) -> Provenance
14439 setup_particle(_ParticleAdaptor pa) -> Provenance
14441 return _IMP_core.Provenance_setup_particle(*args)
14443 def add_attribute(self, *args):
14445 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14446 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14447 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14448 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14449 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14450 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14451 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14452 add_attribute(Provenance self, ObjectKey a0, Object a1)
14453 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14454 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14455 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14456 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14458 return _IMP_core.Provenance_add_attribute(self, *args)
14460 def get_value(self, *args):
14462 get_value(Provenance self, FloatKey a0) -> IMP::Float
14463 get_value(Provenance self, IntKey a0) -> IMP::Int
14464 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14465 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14466 get_value(Provenance self, StringKey a0) -> IMP::String
14467 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14468 get_value(Provenance self, ObjectKey a0) -> Object
14469 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14470 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14471 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14472 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14474 return _IMP_core.Provenance_get_value(self, *args)
14476 def set_value(self, *args):
14478 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14479 set_value(Provenance self, IntKey a0, IMP::Int a1)
14480 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14481 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14482 set_value(Provenance self, StringKey a0, IMP::String a1)
14483 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14484 set_value(Provenance self, ObjectKey a0, Object a1)
14485 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14486 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14487 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14488 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14490 return _IMP_core.Provenance_set_value(self, *args)
14492 def remove_attribute(self, *args):
14494 remove_attribute(Provenance self, FloatKey a0)
14495 remove_attribute(Provenance self, IntKey a0)
14496 remove_attribute(Provenance self, FloatsKey a0)
14497 remove_attribute(Provenance self, IntsKey a0)
14498 remove_attribute(Provenance self, StringKey a0)
14499 remove_attribute(Provenance self, ParticleIndexKey a0)
14500 remove_attribute(Provenance self, ObjectKey a0)
14501 remove_attribute(Provenance self, SparseFloatKey a0)
14502 remove_attribute(Provenance self, SparseIntKey a0)
14503 remove_attribute(Provenance self, SparseStringKey a0)
14504 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14506 return _IMP_core.Provenance_remove_attribute(self, *args)
14508 def has_attribute(self, *args):
14510 has_attribute(Provenance self, FloatKey a0) -> bool
14511 has_attribute(Provenance self, IntKey a0) -> bool
14512 has_attribute(Provenance self, FloatsKey a0) -> bool
14513 has_attribute(Provenance self, IntsKey a0) -> bool
14514 has_attribute(Provenance self, StringKey a0) -> bool
14515 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14516 has_attribute(Provenance self, ObjectKey a0) -> bool
14517 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14518 has_attribute(Provenance self, SparseIntKey a0) -> bool
14519 has_attribute(Provenance self, SparseStringKey a0) -> bool
14520 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14522 return _IMP_core.Provenance_has_attribute(self, *args)
14524 def get_derivative(self, a0):
14525 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14526 return _IMP_core.Provenance_get_derivative(self, a0)
14528 def get_name(self):
14529 r"""get_name(Provenance self) -> std::string"""
14530 return _IMP_core.Provenance_get_name(self)
14532 def clear_caches(self):
14533 r"""clear_caches(Provenance self)"""
14534 return _IMP_core.Provenance_clear_caches(self)
14536 def set_name(self, a0):
14537 r"""set_name(Provenance self, std::string a0)"""
14538 return _IMP_core.Provenance_set_name(self, a0)
14541 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14542 return _IMP_core.Provenance_set_check_level(self, a0)
14544 def add_to_derivative(self, a0, a1, a2):
14545 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14546 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14548 def set_is_optimized(self, a0, a1):
14549 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14550 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14552 def get_is_optimized(self, a0):
14553 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14554 return _IMP_core.Provenance_get_is_optimized(self, a0)
14557 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14558 return _IMP_core.Provenance_get_check_level(self)
14560 def __eq__(self, *args):
14562 __eq__(Provenance self, Provenance o) -> bool
14563 __eq__(Provenance self, Particle d) -> bool
14565 return _IMP_core.Provenance___eq__(self, *args)
14567 def __ne__(self, *args):
14569 __ne__(Provenance self, Provenance o) -> bool
14570 __ne__(Provenance self, Particle d) -> bool
14572 return _IMP_core.Provenance___ne__(self, *args)
14574 def __le__(self, *args):
14576 __le__(Provenance self, Provenance o) -> bool
14577 __le__(Provenance self, Particle d) -> bool
14579 return _IMP_core.Provenance___le__(self, *args)
14581 def __lt__(self, *args):
14583 __lt__(Provenance self, Provenance o) -> bool
14584 __lt__(Provenance self, Particle d) -> bool
14586 return _IMP_core.Provenance___lt__(self, *args)
14588 def __ge__(self, *args):
14590 __ge__(Provenance self, Provenance o) -> bool
14591 __ge__(Provenance self, Particle d) -> bool
14593 return _IMP_core.Provenance___ge__(self, *args)
14595 def __gt__(self, *args):
14597 __gt__(Provenance self, Provenance o) -> bool
14598 __gt__(Provenance self, Particle d) -> bool
14600 return _IMP_core.Provenance___gt__(self, *args)
14602 def __hash__(self):
14603 r"""__hash__(Provenance self) -> std::size_t"""
14604 return _IMP_core.Provenance___hash__(self)
14607 r"""__str__(Provenance self) -> std::string"""
14608 return _IMP_core.Provenance___str__(self)
14610 def __repr__(self):
14611 r"""__repr__(Provenance self) -> std::string"""
14612 return _IMP_core.Provenance___repr__(self)
14614 def _get_as_binary(self):
14615 r"""_get_as_binary(Provenance self) -> PyObject *"""
14616 return _IMP_core.Provenance__get_as_binary(self)
14618 def _set_from_binary(self, p):
14619 r"""_set_from_binary(Provenance self, PyObject * p)"""
14620 return _IMP_core.Provenance__set_from_binary(self, p)
14622 def __getstate__(self):
14623 p = self._get_as_binary()
14624 if len(self.__dict__) > 1:
14625 d = self.__dict__.copy()
14630 def __setstate__(self, p):
14631 if not hasattr(self,
'this'):
14633 if isinstance(p, tuple):
14635 self.__dict__.update(d)
14636 return self._set_from_binary(p)
14638 __swig_destroy__ = _IMP_core.delete_Provenance
14641 _IMP_core.Provenance_swigregister(Provenance)
14642 class StructureProvenance(Provenance):
14643 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14647 def set_filename(self, filename):
14648 r"""set_filename(StructureProvenance self, std::string filename)"""
14649 return _IMP_core.StructureProvenance_set_filename(self, filename)
14651 def get_filename(self):
14652 r"""get_filename(StructureProvenance self) -> std::string"""
14653 return _IMP_core.StructureProvenance_get_filename(self)
14655 def set_chain_id(self, chain_id):
14656 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14657 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14660 r"""get_chain_id(StructureProvenance self) -> std::string"""
14661 return _IMP_core.StructureProvenance_get_chain_id(self)
14663 def set_residue_offset(self, residue_offset):
14664 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14665 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14667 def get_residue_offset(self):
14668 r"""get_residue_offset(StructureProvenance self) -> int"""
14669 return _IMP_core.StructureProvenance_get_residue_offset(self)
14671 def __init__(self, *args):
14673 __init__(StructureProvenance self) -> StructureProvenance
14674 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14675 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14677 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14680 def get_is_setup(*args):
14682 get_is_setup(Model m, ParticleIndex pi) -> bool
14683 get_is_setup(_ParticleAdaptor p) -> bool
14685 return _IMP_core.StructureProvenance_get_is_setup(*args)
14687 def show(self, *args):
14688 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14689 return _IMP_core.StructureProvenance_show(self, *args)
14692 def setup_particle(*args):
14694 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14695 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14696 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14697 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14698 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14699 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14701 return _IMP_core.StructureProvenance_setup_particle(*args)
14703 def add_attribute(self, *args):
14705 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14706 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14707 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14708 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14709 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14710 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14711 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14712 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14713 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14714 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14715 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14716 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14718 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14720 def get_value(self, *args):
14722 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14723 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14724 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14725 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14726 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14727 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14728 get_value(StructureProvenance self, ObjectKey a0) -> Object
14729 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14730 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14731 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14732 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14734 return _IMP_core.StructureProvenance_get_value(self, *args)
14736 def set_value(self, *args):
14738 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14739 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14740 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14741 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14742 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14743 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14744 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14745 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14746 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14747 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14748 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14750 return _IMP_core.StructureProvenance_set_value(self, *args)
14752 def remove_attribute(self, *args):
14754 remove_attribute(StructureProvenance self, FloatKey a0)
14755 remove_attribute(StructureProvenance self, IntKey a0)
14756 remove_attribute(StructureProvenance self, FloatsKey a0)
14757 remove_attribute(StructureProvenance self, IntsKey a0)
14758 remove_attribute(StructureProvenance self, StringKey a0)
14759 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14760 remove_attribute(StructureProvenance self, ObjectKey a0)
14761 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14762 remove_attribute(StructureProvenance self, SparseIntKey a0)
14763 remove_attribute(StructureProvenance self, SparseStringKey a0)
14764 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14766 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14768 def has_attribute(self, *args):
14770 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14771 has_attribute(StructureProvenance self, IntKey a0) -> bool
14772 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14773 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14774 has_attribute(StructureProvenance self, StringKey a0) -> bool
14775 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14776 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14777 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14778 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14779 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14780 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14782 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14784 def get_derivative(self, a0):
14785 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14786 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14788 def get_name(self):
14789 r"""get_name(StructureProvenance self) -> std::string"""
14790 return _IMP_core.StructureProvenance_get_name(self)
14792 def clear_caches(self):
14793 r"""clear_caches(StructureProvenance self)"""
14794 return _IMP_core.StructureProvenance_clear_caches(self)
14796 def set_name(self, a0):
14797 r"""set_name(StructureProvenance self, std::string a0)"""
14798 return _IMP_core.StructureProvenance_set_name(self, a0)
14801 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14802 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14804 def add_to_derivative(self, a0, a1, a2):
14805 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14806 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14808 def set_is_optimized(self, a0, a1):
14809 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14810 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14812 def get_is_optimized(self, a0):
14813 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14814 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14817 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14818 return _IMP_core.StructureProvenance_get_check_level(self)
14820 def __eq__(self, *args):
14822 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14823 __eq__(StructureProvenance self, Particle d) -> bool
14825 return _IMP_core.StructureProvenance___eq__(self, *args)
14827 def __ne__(self, *args):
14829 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14830 __ne__(StructureProvenance self, Particle d) -> bool
14832 return _IMP_core.StructureProvenance___ne__(self, *args)
14834 def __le__(self, *args):
14836 __le__(StructureProvenance self, StructureProvenance o) -> bool
14837 __le__(StructureProvenance self, Particle d) -> bool
14839 return _IMP_core.StructureProvenance___le__(self, *args)
14841 def __lt__(self, *args):
14843 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14844 __lt__(StructureProvenance self, Particle d) -> bool
14846 return _IMP_core.StructureProvenance___lt__(self, *args)
14848 def __ge__(self, *args):
14850 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14851 __ge__(StructureProvenance self, Particle d) -> bool
14853 return _IMP_core.StructureProvenance___ge__(self, *args)
14855 def __gt__(self, *args):
14857 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14858 __gt__(StructureProvenance self, Particle d) -> bool
14860 return _IMP_core.StructureProvenance___gt__(self, *args)
14862 def __hash__(self):
14863 r"""__hash__(StructureProvenance self) -> std::size_t"""
14864 return _IMP_core.StructureProvenance___hash__(self)
14867 r"""__str__(StructureProvenance self) -> std::string"""
14868 return _IMP_core.StructureProvenance___str__(self)
14870 def __repr__(self):
14871 r"""__repr__(StructureProvenance self) -> std::string"""
14872 return _IMP_core.StructureProvenance___repr__(self)
14874 def _get_as_binary(self):
14875 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14876 return _IMP_core.StructureProvenance__get_as_binary(self)
14878 def _set_from_binary(self, p):
14879 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14880 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14882 def __getstate__(self):
14883 p = self._get_as_binary()
14884 if len(self.__dict__) > 1:
14885 d = self.__dict__.copy()
14890 def __setstate__(self, p):
14891 if not hasattr(self,
'this'):
14893 if isinstance(p, tuple):
14895 self.__dict__.update(d)
14896 return self._set_from_binary(p)
14898 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14901 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14902 class SampleProvenance(Provenance):
14903 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14907 def set_method(self, method):
14908 r"""set_method(SampleProvenance self, std::string method)"""
14909 return _IMP_core.SampleProvenance_set_method(self, method)
14911 def get_method(self):
14912 r"""get_method(SampleProvenance self) -> std::string"""
14913 return _IMP_core.SampleProvenance_get_method(self)
14915 def set_number_of_frames(self, frames):
14916 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14917 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14920 r"""get_number_of_frames(SampleProvenance self) -> int"""
14921 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14923 def set_number_of_iterations(self, iterations):
14924 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14925 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14927 def get_number_of_iterations(self):
14928 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14929 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14931 def set_number_of_replicas(self, replicas):
14932 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14933 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14935 def get_number_of_replicas(self):
14936 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14937 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14939 def __init__(self, *args):
14941 __init__(SampleProvenance self) -> SampleProvenance
14942 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14943 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14945 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14948 def get_is_setup(*args):
14950 get_is_setup(Model m, ParticleIndex pi) -> bool
14951 get_is_setup(_ParticleAdaptor p) -> bool
14953 return _IMP_core.SampleProvenance_get_is_setup(*args)
14955 def show(self, *args):
14956 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14957 return _IMP_core.SampleProvenance_show(self, *args)
14960 def setup_particle(*args):
14962 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14963 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14964 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14965 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14966 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14967 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14969 return _IMP_core.SampleProvenance_setup_particle(*args)
14971 def add_attribute(self, *args):
14973 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14974 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14975 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14976 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14977 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14978 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14979 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14980 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14981 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14982 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14983 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14984 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14986 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14988 def get_value(self, *args):
14990 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14991 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14992 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14993 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14994 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14995 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14996 get_value(SampleProvenance self, ObjectKey a0) -> Object
14997 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14998 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14999 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
15000 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15002 return _IMP_core.SampleProvenance_get_value(self, *args)
15004 def set_value(self, *args):
15006 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
15007 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
15008 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15009 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15010 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
15011 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15012 set_value(SampleProvenance self, ObjectKey a0, Object a1)
15013 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15014 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15015 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15016 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15018 return _IMP_core.SampleProvenance_set_value(self, *args)
15020 def remove_attribute(self, *args):
15022 remove_attribute(SampleProvenance self, FloatKey a0)
15023 remove_attribute(SampleProvenance self, IntKey a0)
15024 remove_attribute(SampleProvenance self, FloatsKey a0)
15025 remove_attribute(SampleProvenance self, IntsKey a0)
15026 remove_attribute(SampleProvenance self, StringKey a0)
15027 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
15028 remove_attribute(SampleProvenance self, ObjectKey a0)
15029 remove_attribute(SampleProvenance self, SparseFloatKey a0)
15030 remove_attribute(SampleProvenance self, SparseIntKey a0)
15031 remove_attribute(SampleProvenance self, SparseStringKey a0)
15032 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
15034 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
15036 def has_attribute(self, *args):
15038 has_attribute(SampleProvenance self, FloatKey a0) -> bool
15039 has_attribute(SampleProvenance self, IntKey a0) -> bool
15040 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
15041 has_attribute(SampleProvenance self, IntsKey a0) -> bool
15042 has_attribute(SampleProvenance self, StringKey a0) -> bool
15043 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
15044 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
15045 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
15046 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
15047 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
15048 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
15050 return _IMP_core.SampleProvenance_has_attribute(self, *args)
15052 def get_derivative(self, a0):
15053 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15054 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15056 def get_name(self):
15057 r"""get_name(SampleProvenance self) -> std::string"""
15058 return _IMP_core.SampleProvenance_get_name(self)
15060 def clear_caches(self):
15061 r"""clear_caches(SampleProvenance self)"""
15062 return _IMP_core.SampleProvenance_clear_caches(self)
15064 def set_name(self, a0):
15065 r"""set_name(SampleProvenance self, std::string a0)"""
15066 return _IMP_core.SampleProvenance_set_name(self, a0)
15069 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15070 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15072 def add_to_derivative(self, a0, a1, a2):
15073 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15074 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15076 def set_is_optimized(self, a0, a1):
15077 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15078 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15080 def get_is_optimized(self, a0):
15081 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15082 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15085 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15086 return _IMP_core.SampleProvenance_get_check_level(self)
15088 def __eq__(self, *args):
15090 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15091 __eq__(SampleProvenance self, Particle d) -> bool
15093 return _IMP_core.SampleProvenance___eq__(self, *args)
15095 def __ne__(self, *args):
15097 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15098 __ne__(SampleProvenance self, Particle d) -> bool
15100 return _IMP_core.SampleProvenance___ne__(self, *args)
15102 def __le__(self, *args):
15104 __le__(SampleProvenance self, SampleProvenance o) -> bool
15105 __le__(SampleProvenance self, Particle d) -> bool
15107 return _IMP_core.SampleProvenance___le__(self, *args)
15109 def __lt__(self, *args):
15111 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15112 __lt__(SampleProvenance self, Particle d) -> bool
15114 return _IMP_core.SampleProvenance___lt__(self, *args)
15116 def __ge__(self, *args):
15118 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15119 __ge__(SampleProvenance self, Particle d) -> bool
15121 return _IMP_core.SampleProvenance___ge__(self, *args)
15123 def __gt__(self, *args):
15125 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15126 __gt__(SampleProvenance self, Particle d) -> bool
15128 return _IMP_core.SampleProvenance___gt__(self, *args)
15130 def __hash__(self):
15131 r"""__hash__(SampleProvenance self) -> std::size_t"""
15132 return _IMP_core.SampleProvenance___hash__(self)
15135 r"""__str__(SampleProvenance self) -> std::string"""
15136 return _IMP_core.SampleProvenance___str__(self)
15138 def __repr__(self):
15139 r"""__repr__(SampleProvenance self) -> std::string"""
15140 return _IMP_core.SampleProvenance___repr__(self)
15142 def _get_as_binary(self):
15143 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15144 return _IMP_core.SampleProvenance__get_as_binary(self)
15146 def _set_from_binary(self, p):
15147 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15148 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15150 def __getstate__(self):
15151 p = self._get_as_binary()
15152 if len(self.__dict__) > 1:
15153 d = self.__dict__.copy()
15158 def __setstate__(self, p):
15159 if not hasattr(self,
'this'):
15161 if isinstance(p, tuple):
15163 self.__dict__.update(d)
15164 return self._set_from_binary(p)
15166 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15169 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15170 class CombineProvenance(Provenance):
15171 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15173 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15175 def set_number_of_frames(self, frames):
15176 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15177 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15180 r"""get_number_of_frames(CombineProvenance self) -> int"""
15181 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15183 def set_number_of_runs(self, runs):
15184 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15185 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15187 def get_number_of_runs(self):
15188 r"""get_number_of_runs(CombineProvenance self) -> int"""
15189 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15191 def __init__(self, *args):
15193 __init__(CombineProvenance self) -> CombineProvenance
15194 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15195 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15197 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15200 def get_is_setup(*args):
15202 get_is_setup(Model m, ParticleIndex pi) -> bool
15203 get_is_setup(_ParticleAdaptor p) -> bool
15205 return _IMP_core.CombineProvenance_get_is_setup(*args)
15207 def show(self, *args):
15208 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15209 return _IMP_core.CombineProvenance_show(self, *args)
15212 def setup_particle(*args):
15214 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15215 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15216 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15217 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15219 return _IMP_core.CombineProvenance_setup_particle(*args)
15221 def add_attribute(self, *args):
15223 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15224 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15225 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15226 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15227 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15228 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15229 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15230 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15231 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15232 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15233 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15234 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15236 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15238 def get_value(self, *args):
15240 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15241 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15242 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15243 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15244 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15245 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15246 get_value(CombineProvenance self, ObjectKey a0) -> Object
15247 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15248 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15249 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15250 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15252 return _IMP_core.CombineProvenance_get_value(self, *args)
15254 def set_value(self, *args):
15256 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15257 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15258 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15259 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15260 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15261 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15262 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15263 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15264 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15265 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15266 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15268 return _IMP_core.CombineProvenance_set_value(self, *args)
15270 def remove_attribute(self, *args):
15272 remove_attribute(CombineProvenance self, FloatKey a0)
15273 remove_attribute(CombineProvenance self, IntKey a0)
15274 remove_attribute(CombineProvenance self, FloatsKey a0)
15275 remove_attribute(CombineProvenance self, IntsKey a0)
15276 remove_attribute(CombineProvenance self, StringKey a0)
15277 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15278 remove_attribute(CombineProvenance self, ObjectKey a0)
15279 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15280 remove_attribute(CombineProvenance self, SparseIntKey a0)
15281 remove_attribute(CombineProvenance self, SparseStringKey a0)
15282 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15284 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15286 def has_attribute(self, *args):
15288 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15289 has_attribute(CombineProvenance self, IntKey a0) -> bool
15290 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15291 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15292 has_attribute(CombineProvenance self, StringKey a0) -> bool
15293 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15294 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15295 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15296 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15297 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15298 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15300 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15302 def get_derivative(self, a0):
15303 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15304 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15306 def get_name(self):
15307 r"""get_name(CombineProvenance self) -> std::string"""
15308 return _IMP_core.CombineProvenance_get_name(self)
15310 def clear_caches(self):
15311 r"""clear_caches(CombineProvenance self)"""
15312 return _IMP_core.CombineProvenance_clear_caches(self)
15314 def set_name(self, a0):
15315 r"""set_name(CombineProvenance self, std::string a0)"""
15316 return _IMP_core.CombineProvenance_set_name(self, a0)
15319 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15320 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15322 def add_to_derivative(self, a0, a1, a2):
15323 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15324 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15326 def set_is_optimized(self, a0, a1):
15327 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15328 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15330 def get_is_optimized(self, a0):
15331 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15332 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15335 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15336 return _IMP_core.CombineProvenance_get_check_level(self)
15338 def __eq__(self, *args):
15340 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15341 __eq__(CombineProvenance self, Particle d) -> bool
15343 return _IMP_core.CombineProvenance___eq__(self, *args)
15345 def __ne__(self, *args):
15347 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15348 __ne__(CombineProvenance self, Particle d) -> bool
15350 return _IMP_core.CombineProvenance___ne__(self, *args)
15352 def __le__(self, *args):
15354 __le__(CombineProvenance self, CombineProvenance o) -> bool
15355 __le__(CombineProvenance self, Particle d) -> bool
15357 return _IMP_core.CombineProvenance___le__(self, *args)
15359 def __lt__(self, *args):
15361 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15362 __lt__(CombineProvenance self, Particle d) -> bool
15364 return _IMP_core.CombineProvenance___lt__(self, *args)
15366 def __ge__(self, *args):
15368 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15369 __ge__(CombineProvenance self, Particle d) -> bool
15371 return _IMP_core.CombineProvenance___ge__(self, *args)
15373 def __gt__(self, *args):
15375 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15376 __gt__(CombineProvenance self, Particle d) -> bool
15378 return _IMP_core.CombineProvenance___gt__(self, *args)
15380 def __hash__(self):
15381 r"""__hash__(CombineProvenance self) -> std::size_t"""
15382 return _IMP_core.CombineProvenance___hash__(self)
15385 r"""__str__(CombineProvenance self) -> std::string"""
15386 return _IMP_core.CombineProvenance___str__(self)
15388 def __repr__(self):
15389 r"""__repr__(CombineProvenance self) -> std::string"""
15390 return _IMP_core.CombineProvenance___repr__(self)
15392 def _get_as_binary(self):
15393 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15394 return _IMP_core.CombineProvenance__get_as_binary(self)
15396 def _set_from_binary(self, p):
15397 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15398 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15400 def __getstate__(self):
15401 p = self._get_as_binary()
15402 if len(self.__dict__) > 1:
15403 d = self.__dict__.copy()
15408 def __setstate__(self, p):
15409 if not hasattr(self,
'this'):
15411 if isinstance(p, tuple):
15413 self.__dict__.update(d)
15414 return self._set_from_binary(p)
15416 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15419 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15420 class FilterProvenance(Provenance):
15421 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15425 def set_method(self, method):
15426 r"""set_method(FilterProvenance self, std::string method)"""
15427 return _IMP_core.FilterProvenance_set_method(self, method)
15429 def get_method(self):
15430 r"""get_method(FilterProvenance self) -> std::string"""
15431 return _IMP_core.FilterProvenance_get_method(self)
15433 def set_number_of_frames(self, frames):
15434 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15435 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15438 r"""get_number_of_frames(FilterProvenance self) -> int"""
15439 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15441 def set_threshold(self, threshold):
15442 r"""set_threshold(FilterProvenance self, double threshold)"""
15443 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15445 def get_threshold(self):
15446 r"""get_threshold(FilterProvenance self) -> double"""
15447 return _IMP_core.FilterProvenance_get_threshold(self)
15449 def __init__(self, *args):
15451 __init__(FilterProvenance self) -> FilterProvenance
15452 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15453 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15455 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15458 def get_is_setup(*args):
15460 get_is_setup(Model m, ParticleIndex pi) -> bool
15461 get_is_setup(_ParticleAdaptor p) -> bool
15463 return _IMP_core.FilterProvenance_get_is_setup(*args)
15465 def show(self, *args):
15466 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15467 return _IMP_core.FilterProvenance_show(self, *args)
15470 def setup_particle(*args):
15472 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15473 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15474 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15475 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15477 return _IMP_core.FilterProvenance_setup_particle(*args)
15479 def add_attribute(self, *args):
15481 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15482 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15483 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15484 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15485 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15486 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15487 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15488 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15489 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15490 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15491 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15492 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15494 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15496 def get_value(self, *args):
15498 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15499 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15500 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15501 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15502 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15503 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15504 get_value(FilterProvenance self, ObjectKey a0) -> Object
15505 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15506 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15507 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15508 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15510 return _IMP_core.FilterProvenance_get_value(self, *args)
15512 def set_value(self, *args):
15514 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15515 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15516 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15517 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15518 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15519 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15520 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15521 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15522 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15523 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15524 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15526 return _IMP_core.FilterProvenance_set_value(self, *args)
15528 def remove_attribute(self, *args):
15530 remove_attribute(FilterProvenance self, FloatKey a0)
15531 remove_attribute(FilterProvenance self, IntKey a0)
15532 remove_attribute(FilterProvenance self, FloatsKey a0)
15533 remove_attribute(FilterProvenance self, IntsKey a0)
15534 remove_attribute(FilterProvenance self, StringKey a0)
15535 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15536 remove_attribute(FilterProvenance self, ObjectKey a0)
15537 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15538 remove_attribute(FilterProvenance self, SparseIntKey a0)
15539 remove_attribute(FilterProvenance self, SparseStringKey a0)
15540 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15542 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15544 def has_attribute(self, *args):
15546 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15547 has_attribute(FilterProvenance self, IntKey a0) -> bool
15548 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15549 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15550 has_attribute(FilterProvenance self, StringKey a0) -> bool
15551 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15552 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15553 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15554 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15555 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15556 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15558 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15560 def get_derivative(self, a0):
15561 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15562 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15564 def get_name(self):
15565 r"""get_name(FilterProvenance self) -> std::string"""
15566 return _IMP_core.FilterProvenance_get_name(self)
15568 def clear_caches(self):
15569 r"""clear_caches(FilterProvenance self)"""
15570 return _IMP_core.FilterProvenance_clear_caches(self)
15572 def set_name(self, a0):
15573 r"""set_name(FilterProvenance self, std::string a0)"""
15574 return _IMP_core.FilterProvenance_set_name(self, a0)
15577 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15578 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15580 def add_to_derivative(self, a0, a1, a2):
15581 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15582 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15584 def set_is_optimized(self, a0, a1):
15585 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15586 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15588 def get_is_optimized(self, a0):
15589 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15590 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15593 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15594 return _IMP_core.FilterProvenance_get_check_level(self)
15596 def __eq__(self, *args):
15598 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15599 __eq__(FilterProvenance self, Particle d) -> bool
15601 return _IMP_core.FilterProvenance___eq__(self, *args)
15603 def __ne__(self, *args):
15605 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15606 __ne__(FilterProvenance self, Particle d) -> bool
15608 return _IMP_core.FilterProvenance___ne__(self, *args)
15610 def __le__(self, *args):
15612 __le__(FilterProvenance self, FilterProvenance o) -> bool
15613 __le__(FilterProvenance self, Particle d) -> bool
15615 return _IMP_core.FilterProvenance___le__(self, *args)
15617 def __lt__(self, *args):
15619 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15620 __lt__(FilterProvenance self, Particle d) -> bool
15622 return _IMP_core.FilterProvenance___lt__(self, *args)
15624 def __ge__(self, *args):
15626 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15627 __ge__(FilterProvenance self, Particle d) -> bool
15629 return _IMP_core.FilterProvenance___ge__(self, *args)
15631 def __gt__(self, *args):
15633 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15634 __gt__(FilterProvenance self, Particle d) -> bool
15636 return _IMP_core.FilterProvenance___gt__(self, *args)
15638 def __hash__(self):
15639 r"""__hash__(FilterProvenance self) -> std::size_t"""
15640 return _IMP_core.FilterProvenance___hash__(self)
15643 r"""__str__(FilterProvenance self) -> std::string"""
15644 return _IMP_core.FilterProvenance___str__(self)
15646 def __repr__(self):
15647 r"""__repr__(FilterProvenance self) -> std::string"""
15648 return _IMP_core.FilterProvenance___repr__(self)
15650 def _get_as_binary(self):
15651 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15652 return _IMP_core.FilterProvenance__get_as_binary(self)
15654 def _set_from_binary(self, p):
15655 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15656 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15658 def __getstate__(self):
15659 p = self._get_as_binary()
15660 if len(self.__dict__) > 1:
15661 d = self.__dict__.copy()
15666 def __setstate__(self, p):
15667 if not hasattr(self,
'this'):
15669 if isinstance(p, tuple):
15671 self.__dict__.update(d)
15672 return self._set_from_binary(p)
15674 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15677 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15678 class ClusterProvenance(Provenance):
15679 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15681 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15683 def set_number_of_members(self, members):
15684 r"""set_number_of_members(ClusterProvenance self, int members)"""
15685 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15687 def get_number_of_members(self):
15688 r"""get_number_of_members(ClusterProvenance self) -> int"""
15689 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15691 def set_precision(self, precision):
15692 r"""set_precision(ClusterProvenance self, double precision)"""
15693 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15695 def get_precision(self):
15696 r"""get_precision(ClusterProvenance self) -> double"""
15697 return _IMP_core.ClusterProvenance_get_precision(self)
15699 def set_density(self, density):
15700 r"""set_density(ClusterProvenance self, std::string density)"""
15701 return _IMP_core.ClusterProvenance_set_density(self, density)
15703 def get_density(self):
15704 r"""get_density(ClusterProvenance self) -> std::string"""
15705 return _IMP_core.ClusterProvenance_get_density(self)
15707 def __init__(self, *args):
15709 __init__(ClusterProvenance self) -> ClusterProvenance
15710 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15711 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15713 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15716 def get_is_setup(*args):
15718 get_is_setup(Model m, ParticleIndex pi) -> bool
15719 get_is_setup(_ParticleAdaptor p) -> bool
15721 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15723 def show(self, *args):
15724 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15725 return _IMP_core.ClusterProvenance_show(self, *args)
15728 def setup_particle(*args):
15730 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15731 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15732 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15733 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15734 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15735 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15736 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15737 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15739 return _IMP_core.ClusterProvenance_setup_particle(*args)
15741 def add_attribute(self, *args):
15743 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15744 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15745 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15746 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15747 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15748 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15749 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15750 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15751 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15752 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15753 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15754 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15756 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15758 def get_value(self, *args):
15760 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15761 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15762 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15763 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15764 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15765 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15766 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15767 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15768 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15769 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15770 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15772 return _IMP_core.ClusterProvenance_get_value(self, *args)
15774 def set_value(self, *args):
15776 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15777 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15778 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15779 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15780 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15781 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15782 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15783 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15784 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15785 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15786 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15788 return _IMP_core.ClusterProvenance_set_value(self, *args)
15790 def remove_attribute(self, *args):
15792 remove_attribute(ClusterProvenance self, FloatKey a0)
15793 remove_attribute(ClusterProvenance self, IntKey a0)
15794 remove_attribute(ClusterProvenance self, FloatsKey a0)
15795 remove_attribute(ClusterProvenance self, IntsKey a0)
15796 remove_attribute(ClusterProvenance self, StringKey a0)
15797 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15798 remove_attribute(ClusterProvenance self, ObjectKey a0)
15799 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15800 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15801 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15802 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15804 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15806 def has_attribute(self, *args):
15808 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15809 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15810 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15811 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15812 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15813 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15814 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15815 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15816 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15817 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15818 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15820 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15822 def get_derivative(self, a0):
15823 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15824 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15826 def get_name(self):
15827 r"""get_name(ClusterProvenance self) -> std::string"""
15828 return _IMP_core.ClusterProvenance_get_name(self)
15830 def clear_caches(self):
15831 r"""clear_caches(ClusterProvenance self)"""
15832 return _IMP_core.ClusterProvenance_clear_caches(self)
15834 def set_name(self, a0):
15835 r"""set_name(ClusterProvenance self, std::string a0)"""
15836 return _IMP_core.ClusterProvenance_set_name(self, a0)
15839 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15840 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15842 def add_to_derivative(self, a0, a1, a2):
15843 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15844 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15846 def set_is_optimized(self, a0, a1):
15847 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15848 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15850 def get_is_optimized(self, a0):
15851 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15852 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15855 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15856 return _IMP_core.ClusterProvenance_get_check_level(self)
15858 def __eq__(self, *args):
15860 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15861 __eq__(ClusterProvenance self, Particle d) -> bool
15863 return _IMP_core.ClusterProvenance___eq__(self, *args)
15865 def __ne__(self, *args):
15867 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15868 __ne__(ClusterProvenance self, Particle d) -> bool
15870 return _IMP_core.ClusterProvenance___ne__(self, *args)
15872 def __le__(self, *args):
15874 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15875 __le__(ClusterProvenance self, Particle d) -> bool
15877 return _IMP_core.ClusterProvenance___le__(self, *args)
15879 def __lt__(self, *args):
15881 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15882 __lt__(ClusterProvenance self, Particle d) -> bool
15884 return _IMP_core.ClusterProvenance___lt__(self, *args)
15886 def __ge__(self, *args):
15888 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15889 __ge__(ClusterProvenance self, Particle d) -> bool
15891 return _IMP_core.ClusterProvenance___ge__(self, *args)
15893 def __gt__(self, *args):
15895 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15896 __gt__(ClusterProvenance self, Particle d) -> bool
15898 return _IMP_core.ClusterProvenance___gt__(self, *args)
15900 def __hash__(self):
15901 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15902 return _IMP_core.ClusterProvenance___hash__(self)
15905 r"""__str__(ClusterProvenance self) -> std::string"""
15906 return _IMP_core.ClusterProvenance___str__(self)
15908 def __repr__(self):
15909 r"""__repr__(ClusterProvenance self) -> std::string"""
15910 return _IMP_core.ClusterProvenance___repr__(self)
15912 def _get_as_binary(self):
15913 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15914 return _IMP_core.ClusterProvenance__get_as_binary(self)
15916 def _set_from_binary(self, p):
15917 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15918 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15920 def __getstate__(self):
15921 p = self._get_as_binary()
15922 if len(self.__dict__) > 1:
15923 d = self.__dict__.copy()
15928 def __setstate__(self, p):
15929 if not hasattr(self,
'this'):
15931 if isinstance(p, tuple):
15933 self.__dict__.update(d)
15934 return self._set_from_binary(p)
15936 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15939 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15940 class ScriptProvenance(Provenance):
15941 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15945 def set_filename(self, filename):
15946 r"""set_filename(ScriptProvenance self, std::string filename)"""
15947 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15949 def get_filename(self):
15950 r"""get_filename(ScriptProvenance self) -> std::string"""
15951 return _IMP_core.ScriptProvenance_get_filename(self)
15953 def __init__(self, *args):
15955 __init__(ScriptProvenance self) -> ScriptProvenance
15956 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15957 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15959 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15962 def get_is_setup(*args):
15964 get_is_setup(Model m, ParticleIndex pi) -> bool
15965 get_is_setup(_ParticleAdaptor p) -> bool
15967 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15969 def show(self, *args):
15970 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15971 return _IMP_core.ScriptProvenance_show(self, *args)
15974 def setup_particle(*args):
15976 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15977 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15978 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15979 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15981 return _IMP_core.ScriptProvenance_setup_particle(*args)
15983 def add_attribute(self, *args):
15985 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15986 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15987 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15988 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15989 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15990 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15991 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15992 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15993 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15994 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15995 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15996 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15998 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
16000 def get_value(self, *args):
16002 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
16003 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
16004 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
16005 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
16006 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
16007 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
16008 get_value(ScriptProvenance self, ObjectKey a0) -> Object
16009 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
16010 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
16011 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
16012 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16014 return _IMP_core.ScriptProvenance_get_value(self, *args)
16016 def set_value(self, *args):
16018 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16019 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
16020 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16021 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16022 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
16023 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16024 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
16025 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16026 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16027 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16028 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16030 return _IMP_core.ScriptProvenance_set_value(self, *args)
16032 def remove_attribute(self, *args):
16034 remove_attribute(ScriptProvenance self, FloatKey a0)
16035 remove_attribute(ScriptProvenance self, IntKey a0)
16036 remove_attribute(ScriptProvenance self, FloatsKey a0)
16037 remove_attribute(ScriptProvenance self, IntsKey a0)
16038 remove_attribute(ScriptProvenance self, StringKey a0)
16039 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
16040 remove_attribute(ScriptProvenance self, ObjectKey a0)
16041 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
16042 remove_attribute(ScriptProvenance self, SparseIntKey a0)
16043 remove_attribute(ScriptProvenance self, SparseStringKey a0)
16044 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
16046 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
16048 def has_attribute(self, *args):
16050 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
16051 has_attribute(ScriptProvenance self, IntKey a0) -> bool
16052 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
16053 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16054 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16055 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16056 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16057 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16058 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16059 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16060 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16062 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16064 def get_derivative(self, a0):
16065 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16066 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16068 def get_name(self):
16069 r"""get_name(ScriptProvenance self) -> std::string"""
16070 return _IMP_core.ScriptProvenance_get_name(self)
16072 def clear_caches(self):
16073 r"""clear_caches(ScriptProvenance self)"""
16074 return _IMP_core.ScriptProvenance_clear_caches(self)
16076 def set_name(self, a0):
16077 r"""set_name(ScriptProvenance self, std::string a0)"""
16078 return _IMP_core.ScriptProvenance_set_name(self, a0)
16081 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16082 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16084 def add_to_derivative(self, a0, a1, a2):
16085 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16086 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16088 def set_is_optimized(self, a0, a1):
16089 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16090 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16092 def get_is_optimized(self, a0):
16093 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16094 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16097 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16098 return _IMP_core.ScriptProvenance_get_check_level(self)
16100 def __eq__(self, *args):
16102 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16103 __eq__(ScriptProvenance self, Particle d) -> bool
16105 return _IMP_core.ScriptProvenance___eq__(self, *args)
16107 def __ne__(self, *args):
16109 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16110 __ne__(ScriptProvenance self, Particle d) -> bool
16112 return _IMP_core.ScriptProvenance___ne__(self, *args)
16114 def __le__(self, *args):
16116 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16117 __le__(ScriptProvenance self, Particle d) -> bool
16119 return _IMP_core.ScriptProvenance___le__(self, *args)
16121 def __lt__(self, *args):
16123 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16124 __lt__(ScriptProvenance self, Particle d) -> bool
16126 return _IMP_core.ScriptProvenance___lt__(self, *args)
16128 def __ge__(self, *args):
16130 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16131 __ge__(ScriptProvenance self, Particle d) -> bool
16133 return _IMP_core.ScriptProvenance___ge__(self, *args)
16135 def __gt__(self, *args):
16137 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16138 __gt__(ScriptProvenance self, Particle d) -> bool
16140 return _IMP_core.ScriptProvenance___gt__(self, *args)
16142 def __hash__(self):
16143 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16144 return _IMP_core.ScriptProvenance___hash__(self)
16147 r"""__str__(ScriptProvenance self) -> std::string"""
16148 return _IMP_core.ScriptProvenance___str__(self)
16150 def __repr__(self):
16151 r"""__repr__(ScriptProvenance self) -> std::string"""
16152 return _IMP_core.ScriptProvenance___repr__(self)
16154 def _get_as_binary(self):
16155 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16156 return _IMP_core.ScriptProvenance__get_as_binary(self)
16158 def _set_from_binary(self, p):
16159 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16160 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16162 def __getstate__(self):
16163 p = self._get_as_binary()
16164 if len(self.__dict__) > 1:
16165 d = self.__dict__.copy()
16170 def __setstate__(self, p):
16171 if not hasattr(self,
'this'):
16173 if isinstance(p, tuple):
16175 self.__dict__.update(d)
16176 return self._set_from_binary(p)
16178 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16181 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16182 class SoftwareProvenance(Provenance):
16183 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16185 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16187 def set_software_name(self, name):
16188 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16189 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16191 def get_software_name(self):
16192 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16193 return _IMP_core.SoftwareProvenance_get_software_name(self)
16195 def set_version(self, version):
16196 r"""set_version(SoftwareProvenance self, std::string version)"""
16197 return _IMP_core.SoftwareProvenance_set_version(self, version)
16199 def get_version(self):
16200 r"""get_version(SoftwareProvenance self) -> std::string"""
16201 return _IMP_core.SoftwareProvenance_get_version(self)
16203 def set_location(self, location):
16204 r"""set_location(SoftwareProvenance self, std::string location)"""
16205 return _IMP_core.SoftwareProvenance_set_location(self, location)
16207 def get_location(self):
16208 r"""get_location(SoftwareProvenance self) -> std::string"""
16209 return _IMP_core.SoftwareProvenance_get_location(self)
16211 def __init__(self, *args):
16213 __init__(SoftwareProvenance self) -> SoftwareProvenance
16214 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16215 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16217 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16220 def get_is_setup(*args):
16222 get_is_setup(Model m, ParticleIndex pi) -> bool
16223 get_is_setup(_ParticleAdaptor p) -> bool
16225 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16227 def show(self, *args):
16228 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16229 return _IMP_core.SoftwareProvenance_show(self, *args)
16232 def setup_particle(*args):
16234 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16235 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16236 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16237 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16239 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16241 def add_attribute(self, *args):
16243 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16244 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16245 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16246 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16247 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16248 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16249 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16250 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16251 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16252 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16253 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16254 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16256 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16258 def get_value(self, *args):
16260 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16261 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16262 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16263 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16264 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16265 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16266 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16267 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16268 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16269 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16270 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16272 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16274 def set_value(self, *args):
16276 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16277 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16278 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16279 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16280 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16281 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16282 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16283 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16284 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16285 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16286 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16288 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16290 def remove_attribute(self, *args):
16292 remove_attribute(SoftwareProvenance self, FloatKey a0)
16293 remove_attribute(SoftwareProvenance self, IntKey a0)
16294 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16295 remove_attribute(SoftwareProvenance self, IntsKey a0)
16296 remove_attribute(SoftwareProvenance self, StringKey a0)
16297 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16298 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16299 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16300 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16301 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16302 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16304 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16306 def has_attribute(self, *args):
16308 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16309 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16310 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16311 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16312 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16313 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16314 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16315 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16316 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16317 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16318 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16320 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16322 def get_derivative(self, a0):
16323 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16324 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16326 def get_name(self):
16327 r"""get_name(SoftwareProvenance self) -> std::string"""
16328 return _IMP_core.SoftwareProvenance_get_name(self)
16330 def clear_caches(self):
16331 r"""clear_caches(SoftwareProvenance self)"""
16332 return _IMP_core.SoftwareProvenance_clear_caches(self)
16334 def set_name(self, a0):
16335 r"""set_name(SoftwareProvenance self, std::string a0)"""
16336 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16339 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16340 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16342 def add_to_derivative(self, a0, a1, a2):
16343 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16344 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16346 def set_is_optimized(self, a0, a1):
16347 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16348 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16350 def get_is_optimized(self, a0):
16351 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16352 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16355 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16356 return _IMP_core.SoftwareProvenance_get_check_level(self)
16358 def __eq__(self, *args):
16360 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16361 __eq__(SoftwareProvenance self, Particle d) -> bool
16363 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16365 def __ne__(self, *args):
16367 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16368 __ne__(SoftwareProvenance self, Particle d) -> bool
16370 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16372 def __le__(self, *args):
16374 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16375 __le__(SoftwareProvenance self, Particle d) -> bool
16377 return _IMP_core.SoftwareProvenance___le__(self, *args)
16379 def __lt__(self, *args):
16381 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16382 __lt__(SoftwareProvenance self, Particle d) -> bool
16384 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16386 def __ge__(self, *args):
16388 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16389 __ge__(SoftwareProvenance self, Particle d) -> bool
16391 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16393 def __gt__(self, *args):
16395 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16396 __gt__(SoftwareProvenance self, Particle d) -> bool
16398 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16400 def __hash__(self):
16401 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16402 return _IMP_core.SoftwareProvenance___hash__(self)
16405 r"""__str__(SoftwareProvenance self) -> std::string"""
16406 return _IMP_core.SoftwareProvenance___str__(self)
16408 def __repr__(self):
16409 r"""__repr__(SoftwareProvenance self) -> std::string"""
16410 return _IMP_core.SoftwareProvenance___repr__(self)
16412 def _get_as_binary(self):
16413 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16414 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16416 def _set_from_binary(self, p):
16417 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16418 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16420 def __getstate__(self):
16421 p = self._get_as_binary()
16422 if len(self.__dict__) > 1:
16423 d = self.__dict__.copy()
16428 def __setstate__(self, p):
16429 if not hasattr(self,
'this'):
16431 if isinstance(p, tuple):
16433 self.__dict__.update(d)
16434 return self._set_from_binary(p)
16436 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16439 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16441 r"""Proxy of C++ IMP::core::Provenanced class."""
16443 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16445 def get_provenance(self):
16446 r"""get_provenance(Provenanced self) -> Provenance"""
16447 return _IMP_core.Provenanced_get_provenance(self)
16449 def set_provenance(self, p):
16450 r"""set_provenance(Provenanced self, Provenance p)"""
16451 return _IMP_core.Provenanced_set_provenance(self, p)
16453 def __init__(self, *args):
16455 __init__(Provenanced self) -> Provenanced
16456 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16457 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16459 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16462 def get_is_setup(*args):
16464 get_is_setup(Model m, ParticleIndex pi) -> bool
16465 get_is_setup(_ParticleAdaptor p) -> bool
16467 return _IMP_core.Provenanced_get_is_setup(*args)
16469 def show(self, *args):
16470 r"""show(Provenanced self, _ostream out=std::cout)"""
16471 return _IMP_core.Provenanced_show(self, *args)
16474 def setup_particle(*args):
16476 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16477 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16479 return _IMP_core.Provenanced_setup_particle(*args)
16481 def add_attribute(self, *args):
16483 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16484 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16485 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16486 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16487 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16488 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16489 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16490 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16491 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16492 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16493 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16494 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16496 return _IMP_core.Provenanced_add_attribute(self, *args)
16498 def get_value(self, *args):
16500 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16501 get_value(Provenanced self, IntKey a0) -> IMP::Int
16502 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16503 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16504 get_value(Provenanced self, StringKey a0) -> IMP::String
16505 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16506 get_value(Provenanced self, ObjectKey a0) -> Object
16507 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16508 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16509 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16510 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16512 return _IMP_core.Provenanced_get_value(self, *args)
16514 def set_value(self, *args):
16516 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16517 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16518 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16519 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16520 set_value(Provenanced self, StringKey a0, IMP::String a1)
16521 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16522 set_value(Provenanced self, ObjectKey a0, Object a1)
16523 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16524 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16525 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16526 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16528 return _IMP_core.Provenanced_set_value(self, *args)
16530 def remove_attribute(self, *args):
16532 remove_attribute(Provenanced self, FloatKey a0)
16533 remove_attribute(Provenanced self, IntKey a0)
16534 remove_attribute(Provenanced self, FloatsKey a0)
16535 remove_attribute(Provenanced self, IntsKey a0)
16536 remove_attribute(Provenanced self, StringKey a0)
16537 remove_attribute(Provenanced self, ParticleIndexKey a0)
16538 remove_attribute(Provenanced self, ObjectKey a0)
16539 remove_attribute(Provenanced self, SparseFloatKey a0)
16540 remove_attribute(Provenanced self, SparseIntKey a0)
16541 remove_attribute(Provenanced self, SparseStringKey a0)
16542 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16544 return _IMP_core.Provenanced_remove_attribute(self, *args)
16546 def has_attribute(self, *args):
16548 has_attribute(Provenanced self, FloatKey a0) -> bool
16549 has_attribute(Provenanced self, IntKey a0) -> bool
16550 has_attribute(Provenanced self, FloatsKey a0) -> bool
16551 has_attribute(Provenanced self, IntsKey a0) -> bool
16552 has_attribute(Provenanced self, StringKey a0) -> bool
16553 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16554 has_attribute(Provenanced self, ObjectKey a0) -> bool
16555 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16556 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16557 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16558 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16560 return _IMP_core.Provenanced_has_attribute(self, *args)
16562 def get_derivative(self, a0):
16563 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16564 return _IMP_core.Provenanced_get_derivative(self, a0)
16566 def get_name(self):
16567 r"""get_name(Provenanced self) -> std::string"""
16568 return _IMP_core.Provenanced_get_name(self)
16570 def clear_caches(self):
16571 r"""clear_caches(Provenanced self)"""
16572 return _IMP_core.Provenanced_clear_caches(self)
16574 def set_name(self, a0):
16575 r"""set_name(Provenanced self, std::string a0)"""
16576 return _IMP_core.Provenanced_set_name(self, a0)
16579 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16580 return _IMP_core.Provenanced_set_check_level(self, a0)
16582 def add_to_derivative(self, a0, a1, a2):
16583 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16584 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16586 def set_is_optimized(self, a0, a1):
16587 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16588 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16590 def get_is_optimized(self, a0):
16591 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16592 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16595 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16596 return _IMP_core.Provenanced_get_check_level(self)
16598 def __eq__(self, *args):
16600 __eq__(Provenanced self, Provenanced o) -> bool
16601 __eq__(Provenanced self, Particle d) -> bool
16603 return _IMP_core.Provenanced___eq__(self, *args)
16605 def __ne__(self, *args):
16607 __ne__(Provenanced self, Provenanced o) -> bool
16608 __ne__(Provenanced self, Particle d) -> bool
16610 return _IMP_core.Provenanced___ne__(self, *args)
16612 def __le__(self, *args):
16614 __le__(Provenanced self, Provenanced o) -> bool
16615 __le__(Provenanced self, Particle d) -> bool
16617 return _IMP_core.Provenanced___le__(self, *args)
16619 def __lt__(self, *args):
16621 __lt__(Provenanced self, Provenanced o) -> bool
16622 __lt__(Provenanced self, Particle d) -> bool
16624 return _IMP_core.Provenanced___lt__(self, *args)
16626 def __ge__(self, *args):
16628 __ge__(Provenanced self, Provenanced o) -> bool
16629 __ge__(Provenanced self, Particle d) -> bool
16631 return _IMP_core.Provenanced___ge__(self, *args)
16633 def __gt__(self, *args):
16635 __gt__(Provenanced self, Provenanced o) -> bool
16636 __gt__(Provenanced self, Particle d) -> bool
16638 return _IMP_core.Provenanced___gt__(self, *args)
16640 def __hash__(self):
16641 r"""__hash__(Provenanced self) -> std::size_t"""
16642 return _IMP_core.Provenanced___hash__(self)
16645 r"""__str__(Provenanced self) -> std::string"""
16646 return _IMP_core.Provenanced___str__(self)
16648 def __repr__(self):
16649 r"""__repr__(Provenanced self) -> std::string"""
16650 return _IMP_core.Provenanced___repr__(self)
16652 def _get_as_binary(self):
16653 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16654 return _IMP_core.Provenanced__get_as_binary(self)
16656 def _set_from_binary(self, p):
16657 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16658 return _IMP_core.Provenanced__set_from_binary(self, p)
16660 def __getstate__(self):
16661 p = self._get_as_binary()
16662 if len(self.__dict__) > 1:
16663 d = self.__dict__.copy()
16668 def __setstate__(self, p):
16669 if not hasattr(self,
'this'):
16671 if isinstance(p, tuple):
16673 self.__dict__.update(d)
16674 return self._set_from_binary(p)
16676 __swig_destroy__ = _IMP_core.delete_Provenanced
16679 _IMP_core.Provenanced_swigregister(Provenanced)
16682 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16683 return _IMP_core.add_provenance(m, pi, p)
16686 r"""create_clone(Provenance p, Model m=None) -> Provenance"""
16687 return _IMP_core.create_clone(p, m)
16691 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16692 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16693 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16695 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16698 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16699 return _IMP_core.create_restraint(ps, pp)
16701 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16705 def __init__(self, *args):
16707 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16708 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16710 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16712 def get_version_info(self):
16713 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16714 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16715 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16718 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16719 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16721 def __repr__(self):
16722 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16723 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16727 return _object_cast_to_TruncatedHarmonic(o)
16731 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16733 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16735 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16737 def __init__(self, *args):
16739 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16740 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16742 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16744 def get_version_info(self):
16745 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16746 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16747 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16750 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16751 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16753 def __repr__(self):
16754 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16755 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16759 return _object_cast_to_TruncatedHarmonic(o)
16763 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16765 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16767 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16769 def __init__(self, *args):
16771 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16772 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16774 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16776 def get_version_info(self):
16777 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16778 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16779 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16782 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16783 return _IMP_core.TruncatedHarmonicBound___str__(self)
16785 def __repr__(self):
16786 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16787 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16791 return _object_cast_to_TruncatedHarmonic(o)
16795 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16797 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16799 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16801 def __init__(self, *args):
16803 __init__(ParticleType self) -> ParticleType
16804 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16805 __init__(ParticleType self, unsigned int i) -> ParticleType
16807 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16811 r"""add_key(std::string sc) -> unsigned int"""
16812 return _IMP_core.ParticleType_add_key(sc)
16815 def get_key_exists(sc):
16816 r"""get_key_exists(std::string sc) -> bool"""
16817 return _IMP_core.ParticleType_get_key_exists(sc)
16819 def get_string(self):
16820 r"""get_string(ParticleType self) -> std::string const"""
16821 return _IMP_core.ParticleType_get_string(self)
16823 def __cmp__(self, o):
16824 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16825 return _IMP_core.ParticleType___cmp__(self, o)
16827 def __eq__(self, o):
16828 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16829 return _IMP_core.ParticleType___eq__(self, o)
16831 def __ne__(self, o):
16832 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16833 return _IMP_core.ParticleType___ne__(self, o)
16835 def __lt__(self, o):
16836 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16837 return _IMP_core.ParticleType___lt__(self, o)
16839 def __gt__(self, o):
16840 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16841 return _IMP_core.ParticleType___gt__(self, o)
16843 def __ge__(self, o):
16844 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16845 return _IMP_core.ParticleType___ge__(self, o)
16847 def __le__(self, o):
16848 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16849 return _IMP_core.ParticleType___le__(self, o)
16851 def __hash__(self):
16852 r"""__hash__(ParticleType self) -> std::size_t"""
16853 return _IMP_core.ParticleType___hash__(self)
16855 def show(self, *args):
16856 r"""show(ParticleType self, _ostream out=std::cout)"""
16857 return _IMP_core.ParticleType_show(self, *args)
16860 def add_alias(old_key, new_name):
16861 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16862 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16865 def get_number_of_keys():
16866 r"""get_number_of_keys() -> unsigned int"""
16867 return _IMP_core.ParticleType_get_number_of_keys()
16870 r"""get_index(ParticleType self) -> unsigned int"""
16871 return _IMP_core.ParticleType_get_index(self)
16875 r"""show_all(_ostream out)"""
16876 return _IMP_core.ParticleType_show_all(out)
16879 def get_all_strings():
16880 r"""get_all_strings() -> IMP::Vector< std::string >"""
16881 return _IMP_core.ParticleType_get_all_strings()
16884 def get_number_unique():
16885 r"""get_number_unique() -> unsigned int"""
16886 return _IMP_core.ParticleType_get_number_unique()
16889 r"""__str__(ParticleType self) -> std::string"""
16890 return _IMP_core.ParticleType___str__(self)
16892 def __repr__(self):
16893 r"""__repr__(ParticleType self) -> std::string"""
16894 return _IMP_core.ParticleType___repr__(self)
16895 __swig_destroy__ = _IMP_core.delete_ParticleType
16898 _IMP_core.ParticleType_swigregister(ParticleType)
16900 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16902 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16903 __repr__ = _swig_repr
16905 def __init__(self, f, k):
16906 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16907 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16909 def do_get_inputs(self, m, pis):
16910 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16911 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16913 def get_unary_function(self):
16914 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16915 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16918 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16919 return _IMP_core.AttributeSingletonScore_get_key(self)
16921 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16922 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"""
16923 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16925 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16926 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"""
16927 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16929 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16930 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"""
16931 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16933 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16934 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"""
16935 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16937 def get_version_info(self):
16938 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16939 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16940 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16944 return _object_cast_to_AttributeSingletonScore(o)
16947 def _get_jax(self, m, indexes, space):
16948 def score_float_key(jm, key, uf):
16949 return uf(jm[key][indexes])
16951 def score_xyz_key(jm, xyz_index, uf):
16952 return uf(jm[
'xyz'][indexes, xyz_index])
16954 uf = self.get_unary_function().get_derived_object()._get_jax()
16955 key = self.get_key()
16958 if key.get_index() >= 7:
16960 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16961 elif key == XYZR.get_radius_key():
16963 f = functools.partial(score_float_key, key=
'r', uf=uf)
16964 elif key
in XYZ.get_xyz_keys():
16966 xyz_index = XYZ.get_xyz_keys().index(key)
16967 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16969 raise NotImplementedError(
"No support for key %s" % key)
16970 return self._wrap_jax(m, f, keys=need_keys)
16974 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16977 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16978 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16980 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16982 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16983 __repr__ = _swig_repr
16985 def __init__(self, f, bb):
16986 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16987 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16989 def get_unary_function(self):
16990 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16991 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16994 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16995 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16997 def do_get_inputs(self, m, pis):
16998 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16999 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
17001 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17002 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"""
17003 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17005 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17006 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"""
17007 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17009 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17010 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"""
17011 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17013 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17014 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"""
17015 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17017 def get_version_info(self):
17018 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
17019 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
17020 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
17024 return _object_cast_to_BoundingBox3DSingletonScore(o)
17027 def _get_jax(self, m, indexes, space):
17028 import jax.numpy
as jnp
17029 def score(jm, box_min, box_max, uf):
17030 xyzs = jm[
'xyz'][indexes]
17037 drs = space.distance(xyzs - jnp.clip(xyzs, box_min, box_max))
17039 uf = self.get_unary_function().get_derived_object()
17040 bb = self.get_bounding_box()
17041 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
17042 box_max=jnp.asarray(bb.get_corner(1)),
17044 return self._wrap_jax(m, f)
17048 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
17050 def create_bounding_box_3d_singleton_score(f, bb):
17051 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17052 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17054 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17056 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17057 __repr__ = _swig_repr
17059 def __init__(self, f, sphere):
17060 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17061 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17063 def do_get_inputs(self, m, pis):
17064 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17065 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17067 def get_unary_function(self):
17068 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17069 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17071 def get_sphere(self):
17072 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17073 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17075 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17076 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"""
17077 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17079 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17080 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"""
17081 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17083 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17084 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"""
17085 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17087 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17088 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"""
17089 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17091 def get_version_info(self):
17092 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17093 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17094 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17098 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17101 def _get_jax(self, m, indexes, space):
17102 import jax.numpy
as jnp
17104 def score_with_radius(jm, inds, center, radius):
17105 xyzs = jm[
'xyz'][inds]
17106 radii = jm[
'r'][inds]
17107 drs = space.distance(xyzs - center) + radii - radius
17108 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17109 def score_without_radius(jm, inds, center, radius):
17110 xyzs = jm[
'xyz'][inds]
17111 drs = space.distance(xyzs - center) - radius
17112 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17113 without_radii_inds = []
17114 with_radii_inds = []
17115 for ind
in indexes:
17116 if XYZR.get_is_setup(m, ind):
17117 with_radii_inds.append(ind)
17119 without_radii_inds.append(ind)
17120 without_radii_inds = jnp.asarray(without_radii_inds)
17121 with_radii_inds = jnp.asarray(with_radii_inds)
17122 uf = self.get_unary_function().get_derived_object()._get_jax()
17123 sphere = self.get_sphere()
17124 radius = sphere.get_radius()
17125 center = jnp.asarray(sphere.get_center())
17128 if without_radii_inds.size > 0:
17129 s += score_without_radius(jm, without_radii_inds,
17131 if with_radii_inds.size > 0:
17132 s += score_with_radius(jm, with_radii_inds, center, radius)
17134 return self._wrap_jax(m, score)
17138 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17140 def create_bounding_sphere_3d_singleton_score(f, sphere):
17141 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17142 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17144 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17146 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17147 __repr__ = _swig_repr
17149 def __init__(self, *args):
17151 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17152 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17154 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17156 def do_get_inputs(self, m, pis):
17157 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17158 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17160 def get_unary_function(self):
17161 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17162 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17164 def get_point(self):
17165 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17166 return _IMP_core.DistanceToSingletonScore_get_point(self)
17168 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17169 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"""
17170 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17172 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17173 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"""
17174 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17176 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17177 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"""
17178 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17180 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17181 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"""
17182 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17184 def get_version_info(self):
17185 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17186 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17187 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17191 return _object_cast_to_DistanceToSingletonScore(o)
17194 def _get_as_binary(self):
17195 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17196 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17198 def _set_from_binary(self, p):
17199 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17200 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17202 def __getstate__(self):
17203 p = self._get_as_binary()
17204 if len(self.__dict__) > 1:
17205 d = self.__dict__.copy()
17210 def __setstate__(self, p):
17211 if not hasattr(self,
'this'):
17213 if isinstance(p, tuple):
17215 self.__dict__.update(d)
17216 return self._set_from_binary(p)
17219 def _get_jax(self, m, indexes, space):
17220 import jax.numpy
as jnp
17221 def score(jm, point, uf):
17222 xyzs = jm[
'xyz'][indexes]
17223 drs = space.distance(xyzs - point)
17225 uf = self.get_unary_function().get_derived_object()
17226 f = functools.partial(score, point=jnp.array(self.get_point()),
17228 return self._wrap_jax(m, f)
17232 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17234 def create_distance_to_singleton_score(f, pt):
17235 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17236 return _IMP_core.create_distance_to_singleton_score(f, pt)
17238 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17239 def __init__(self, uf):
17240 if isinstance(uf, HarmonicUpperBound):
17241 p = HarmonicUpperBoundSphereDistancePairScore(
17242 uf.get_mean(), uf.get_k())
17243 elif isinstance(uf, HarmonicLowerBound):
17244 if uf.get_mean() == 0.0:
17245 p = SoftSpherePairScore(uf.get_k())
17247 p = _SphereDistancePairScore(uf)
17248 elif isinstance(uf, Harmonic):
17249 p = HarmonicSphereDistancePairScore(
17250 uf.get_mean(), uf.get_k())
17252 p = _SphereDistancePairScore(uf)
17253 self.__dict__[
'_proxied'] = p
17254 def __getattr__(self, key):
17255 return getattr(self._proxied, key)
17256 def __setattr__(self, key, val):
17257 return setattr(self._proxied, key, val)
17259 def __getstate__(self):
17260 return self.__dict__[
'_proxied']
17262 def __setstate__(self, p):
17263 self.__dict__[
'_proxied'] = p
17265 def _get_jax(self, *args, **kwargs):
17266 return self._proxied._get_jax(*args, **kwargs)
17271 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17274 p = HarmonicSphereDistancePairScore.get_from(o)
17277 p = SoftSpherePairScore.get_from(o)
17279 p = _SphereDistancePairScore.get_from(o)
17280 obj = object.__new__(SphereDistancePairScore)
17281 obj.__dict__[
'_proxied'] = p
17287 CombineProvenance, FilterProvenance,
17288 ClusterProvenance, ScriptProvenance,
17289 SoftwareProvenance]):
17290 """Yield all provenance decorators of the given types for the particle.
17291 By default, all provenance types are returned. Provenance is returned
17292 in order, most recent first. If the particle has no provenance
17293 information, an empty generator is returned."""
17294 if Provenanced.get_is_setup(p):
17298 if c.get_is_setup(prov):
17300 prov = prov.get_previous()
17303 """Tag the given particle with the current Python script.
17304 This is a noop if the particle is already so tagged."""
17305 main = sys.modules[
'__main__']
17307 if not hasattr(main,
'__file__'):
17311 if prov.get_filename() == f:
17315 provp.set_name(
'script')
17316 prov = ScriptProvenance.setup_particle(provp, f)
17320 """Tag the given particle with the software used to create it.
17321 This is a noop if the particle is already so tagged."""
17323 if prov.get_software_name() == name
and prov.get_version() == version \
17324 and prov.get_location() == location:
17328 provp.set_name(
'software')
17329 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17333 """Tag the given particle as being created by the current version of IMP."""
17336 location=
"https://integrativemodeling.org")
17339 def get_module_name():
17340 r"""get_module_name() -> std::string const"""
17341 return _IMP_core.get_module_name()
17344 r"""get_module_version() -> std::string const"""
17345 return _IMP_core.get_module_version()
17348 r"""get_example_path(std::string fname) -> std::string"""
17349 return _IMP_core.get_example_path(fname)
17352 r"""get_data_path(std::string fname) -> std::string"""
17353 return _IMP_core.get_data_path(fname)
17355 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)
double get_mean(const cv::Mat &mat, const cvIntMat &mask)
CheckLevel get_check_level()
Get the current audit mode.
def add_script_provenance
Tag the given particle with the current Python script.
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)
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.
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.
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.
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.