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)
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 raise NotImplementedError(f
"No JAX implementation for {self}")
1854 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1855 sync_func=
None, keys=
None):
1856 """Create the return value for _get_jax.
1857 Use this method in _get_jax() to wrap the JAX functions
1858 with other mover-specific information.
1860 @param init_func a JAX function which is used to initialize this
1861 mover. It is called with a single argument, a fresh JAX
1862 random key, and should return a persistent state object.
1863 This object may be the key itself, or any other Python object
1864 that JAX understands.
1865 @param propose_func a JAX function which is called with the current
1866 JAX Model and the mover's persistent state object.
1867 It should return a new JAX Model with the move applied,
1868 a new persistent state, and the proposal ratio. If the move
1869 is rejected then the new JAX Model will be discarded.
1870 However, the mover's persistent state is updated for both
1871 accepted and rejected moves.
1872 @param accept_func if provided, a JAX function which is called
1873 after each accepted Monte Carlo move, with the persistent
1874 state object. It should return a new persistent state.
1875 @param sync_func If provided, a Python function which is called
1876 at the end of a Monte Carlo sampling run to sync mover
1877 data back to IMP. It is called with the persistent state
1878 and the IMP Mover object.
1879 @param keys If given, a set of IMP::Key objects describing Model
1880 attributes (other than xyz and radius) that are altered
1883 from IMP.core._jax_util
import JAXMoverInfo
1884 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1887 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1888 def __disown__(self):
1890 _IMP_core.disown_MonteCarloMover(self)
1891 return weakref.proxy(self)
1893 def do_destroy(self):
1894 r"""do_destroy(MonteCarloMover self)"""
1895 return _IMP_core.MonteCarloMover_do_destroy(self)
1897 def handle_set_has_required_score_states(self, arg0):
1898 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1899 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1901 def do_get_inputs(self):
1902 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1903 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1905 def do_get_interactions(self):
1906 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1907 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1910 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1912 r"""Proxy of C++ IMP::core::XYZ class."""
1914 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1917 def get_coordinate_key(i):
1918 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1919 return _IMP_core.XYZ_get_coordinate_key(i)
1921 def __init__(self, *args):
1923 __init__(XYZ self) -> XYZ
1924 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1925 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1927 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1929 def show(self, *args):
1930 r"""show(XYZ self, _ostream out=std::cout)"""
1931 return _IMP_core.XYZ_show(self, *args)
1934 def setup_particle(*args):
1936 setup_particle(Model m, ParticleIndex pi) -> XYZ
1937 setup_particle(_ParticleAdaptor pa) -> XYZ
1938 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1939 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1941 return _IMP_core.XYZ_setup_particle(*args)
1944 r"""get_x(XYZ self) -> IMP::Float"""
1945 return _IMP_core.XYZ_get_x(self)
1948 r"""set_x(XYZ self, IMP::Float t)"""
1949 return _IMP_core.XYZ_set_x(self, t)
1952 r"""get_y(XYZ self) -> IMP::Float"""
1953 return _IMP_core.XYZ_get_y(self)
1956 r"""set_y(XYZ self, IMP::Float t)"""
1957 return _IMP_core.XYZ_set_y(self, t)
1960 r"""get_z(XYZ self) -> IMP::Float"""
1961 return _IMP_core.XYZ_get_z(self)
1964 r"""set_z(XYZ self, IMP::Float t)"""
1965 return _IMP_core.XYZ_set_z(self, t)
1967 def set_coordinate(self, i, v):
1968 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1969 return _IMP_core.XYZ_set_coordinate(self, i, v)
1971 def set_coordinates(self, v):
1972 r"""set_coordinates(XYZ self, Vector3D v)"""
1973 return _IMP_core.XYZ_set_coordinates(self, v)
1975 def get_coordinate(self, i):
1976 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1977 return _IMP_core.XYZ_get_coordinate(self, i)
1979 def add_to_derivatives(self, v, d):
1980 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1981 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1983 def get_coordinates_are_optimized(self):
1984 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1985 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1987 def set_coordinates_are_optimized(self, tf):
1988 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1989 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1991 def get_vector_to(self, b):
1992 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1993 return _IMP_core.XYZ_get_vector_to(self, b)
1995 def get_coordinates(self):
1996 r"""get_coordinates(XYZ self) -> Vector3D"""
1997 return _IMP_core.XYZ_get_coordinates(self)
1999 def get_derivatives(self):
2000 r"""get_derivatives(XYZ self) -> Vector3D"""
2001 return _IMP_core.XYZ_get_derivatives(self)
2004 def get_is_setup(*args):
2006 get_is_setup(_ParticleAdaptor p) -> bool
2007 get_is_setup(Model m, ParticleIndex pi) -> bool
2009 return _IMP_core.XYZ_get_is_setup(*args)
2013 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2014 return _IMP_core.XYZ_get_xyz_keys()
2016 def add_attribute(self, *args):
2018 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2019 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2020 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2021 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2022 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2023 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2024 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2025 add_attribute(XYZ self, ObjectKey a0, Object a1)
2026 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2027 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2028 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2029 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2031 return _IMP_core.XYZ_add_attribute(self, *args)
2033 def get_value(self, *args):
2035 get_value(XYZ self, FloatKey a0) -> IMP::Float
2036 get_value(XYZ self, IntKey a0) -> IMP::Int
2037 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2038 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2039 get_value(XYZ self, StringKey a0) -> IMP::String
2040 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2041 get_value(XYZ self, ObjectKey a0) -> Object
2042 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2043 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2044 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2045 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2047 return _IMP_core.XYZ_get_value(self, *args)
2049 def set_value(self, *args):
2051 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2052 set_value(XYZ self, IntKey a0, IMP::Int a1)
2053 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2054 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2055 set_value(XYZ self, StringKey a0, IMP::String a1)
2056 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2057 set_value(XYZ self, ObjectKey a0, Object a1)
2058 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2059 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2060 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2061 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2063 return _IMP_core.XYZ_set_value(self, *args)
2065 def remove_attribute(self, *args):
2067 remove_attribute(XYZ self, FloatKey a0)
2068 remove_attribute(XYZ self, IntKey a0)
2069 remove_attribute(XYZ self, FloatsKey a0)
2070 remove_attribute(XYZ self, IntsKey a0)
2071 remove_attribute(XYZ self, StringKey a0)
2072 remove_attribute(XYZ self, ParticleIndexKey a0)
2073 remove_attribute(XYZ self, ObjectKey a0)
2074 remove_attribute(XYZ self, SparseFloatKey a0)
2075 remove_attribute(XYZ self, SparseIntKey a0)
2076 remove_attribute(XYZ self, SparseStringKey a0)
2077 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2079 return _IMP_core.XYZ_remove_attribute(self, *args)
2081 def has_attribute(self, *args):
2083 has_attribute(XYZ self, FloatKey a0) -> bool
2084 has_attribute(XYZ self, IntKey a0) -> bool
2085 has_attribute(XYZ self, FloatsKey a0) -> bool
2086 has_attribute(XYZ self, IntsKey a0) -> bool
2087 has_attribute(XYZ self, StringKey a0) -> bool
2088 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2089 has_attribute(XYZ self, ObjectKey a0) -> bool
2090 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2091 has_attribute(XYZ self, SparseIntKey a0) -> bool
2092 has_attribute(XYZ self, SparseStringKey a0) -> bool
2093 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2095 return _IMP_core.XYZ_has_attribute(self, *args)
2097 def get_derivative(self, *args):
2099 get_derivative(XYZ self, int i) -> IMP::Float
2100 get_derivative(XYZ self, FloatKey a0) -> double
2102 return _IMP_core.XYZ_get_derivative(self, *args)
2105 r"""get_name(XYZ self) -> std::string"""
2106 return _IMP_core.XYZ_get_name(self)
2108 def clear_caches(self):
2109 r"""clear_caches(XYZ self)"""
2110 return _IMP_core.XYZ_clear_caches(self)
2112 def set_name(self, a0):
2113 r"""set_name(XYZ self, std::string a0)"""
2114 return _IMP_core.XYZ_set_name(self, a0)
2117 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2118 return _IMP_core.XYZ_set_check_level(self, a0)
2120 def add_to_derivative(self, *args):
2122 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2123 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2125 return _IMP_core.XYZ_add_to_derivative(self, *args)
2127 def set_is_optimized(self, a0, a1):
2128 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2129 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2131 def get_is_optimized(self, a0):
2132 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2133 return _IMP_core.XYZ_get_is_optimized(self, a0)
2136 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2137 return _IMP_core.XYZ_get_check_level(self)
2139 def __eq__(self, *args):
2141 __eq__(XYZ self, XYZ o) -> bool
2142 __eq__(XYZ self, Particle d) -> bool
2144 return _IMP_core.XYZ___eq__(self, *args)
2146 def __ne__(self, *args):
2148 __ne__(XYZ self, XYZ o) -> bool
2149 __ne__(XYZ self, Particle d) -> bool
2151 return _IMP_core.XYZ___ne__(self, *args)
2153 def __le__(self, *args):
2155 __le__(XYZ self, XYZ o) -> bool
2156 __le__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___le__(self, *args)
2160 def __lt__(self, *args):
2162 __lt__(XYZ self, XYZ o) -> bool
2163 __lt__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___lt__(self, *args)
2167 def __ge__(self, *args):
2169 __ge__(XYZ self, XYZ o) -> bool
2170 __ge__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___ge__(self, *args)
2174 def __gt__(self, *args):
2176 __gt__(XYZ self, XYZ o) -> bool
2177 __gt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___gt__(self, *args)
2182 r"""__hash__(XYZ self) -> std::size_t"""
2183 return _IMP_core.XYZ___hash__(self)
2186 r"""__str__(XYZ self) -> std::string"""
2187 return _IMP_core.XYZ___str__(self)
2190 r"""__repr__(XYZ self) -> std::string"""
2191 return _IMP_core.XYZ___repr__(self)
2193 def _get_as_binary(self):
2194 r"""_get_as_binary(XYZ self) -> PyObject *"""
2195 return _IMP_core.XYZ__get_as_binary(self)
2197 def _set_from_binary(self, p):
2198 r"""_set_from_binary(XYZ self, PyObject * p)"""
2199 return _IMP_core.XYZ__set_from_binary(self, p)
2201 def __getstate__(self):
2202 p = self._get_as_binary()
2203 if len(self.__dict__) > 1:
2204 d = self.__dict__.copy()
2209 def __setstate__(self, p):
2210 if not hasattr(self,
'this'):
2212 if isinstance(p, tuple):
2214 self.__dict__.update(d)
2215 return self._set_from_binary(p)
2217 __swig_destroy__ = _IMP_core.delete_XYZ
2220 _IMP_core.XYZ_swigregister(XYZ)
2223 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2224 return _IMP_core.set_vector_geometry(d, v)
2227 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2228 return _IMP_core.get_vector_geometry(d)
2231 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2232 return _IMP_core.get_dihedral(a, b, c, d)
2234 r"""Proxy of C++ IMP::core::XYZR class."""
2236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2238 def __init__(self, *args):
2240 __init__(XYZR self) -> XYZR
2241 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2242 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2244 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2246 def show(self, *args):
2247 r"""show(XYZR self, _ostream out=std::cout)"""
2248 return _IMP_core.XYZR_show(self, *args)
2251 def setup_particle(*args):
2253 setup_particle(Model m, ParticleIndex pi) -> XYZR
2254 setup_particle(_ParticleAdaptor pa) -> XYZR
2255 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2256 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2257 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2258 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2260 return _IMP_core.XYZR_setup_particle(*args)
2263 def get_is_setup(*args):
2265 get_is_setup(_ParticleAdaptor p) -> bool
2266 get_is_setup(Model m, ParticleIndex pi) -> bool
2268 return _IMP_core.XYZR_get_is_setup(*args)
2270 def get_radius(self):
2271 r"""get_radius(XYZR self) -> double"""
2272 return _IMP_core.XYZR_get_radius(self)
2274 def set_radius(self, r):
2275 r"""set_radius(XYZR self, double r)"""
2276 return _IMP_core.XYZR_set_radius(self, r)
2278 def get_sphere(self):
2279 r"""get_sphere(XYZR self) -> Sphere3D"""
2280 return _IMP_core.XYZR_get_sphere(self)
2282 def set_sphere(self, s):
2283 r"""set_sphere(XYZR self, Sphere3D s)"""
2284 return _IMP_core.XYZR_set_sphere(self, s)
2287 def get_radius_key():
2288 r"""get_radius_key() -> FloatKey"""
2289 return _IMP_core.XYZR_get_radius_key()
2291 def add_to_radius_derivative(self, v, d):
2292 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2293 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2295 def add_attribute(self, *args):
2297 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2298 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2299 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2300 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2301 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2302 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2303 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2304 add_attribute(XYZR self, ObjectKey a0, Object a1)
2305 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2306 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2307 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2308 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2310 return _IMP_core.XYZR_add_attribute(self, *args)
2312 def get_value(self, *args):
2314 get_value(XYZR self, FloatKey a0) -> IMP::Float
2315 get_value(XYZR self, IntKey a0) -> IMP::Int
2316 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2317 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2318 get_value(XYZR self, StringKey a0) -> IMP::String
2319 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2320 get_value(XYZR self, ObjectKey a0) -> Object
2321 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2322 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2323 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2324 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2326 return _IMP_core.XYZR_get_value(self, *args)
2328 def set_value(self, *args):
2330 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2331 set_value(XYZR self, IntKey a0, IMP::Int a1)
2332 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2333 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2334 set_value(XYZR self, StringKey a0, IMP::String a1)
2335 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2336 set_value(XYZR self, ObjectKey a0, Object a1)
2337 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2338 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2339 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2340 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2342 return _IMP_core.XYZR_set_value(self, *args)
2344 def remove_attribute(self, *args):
2346 remove_attribute(XYZR self, FloatKey a0)
2347 remove_attribute(XYZR self, IntKey a0)
2348 remove_attribute(XYZR self, FloatsKey a0)
2349 remove_attribute(XYZR self, IntsKey a0)
2350 remove_attribute(XYZR self, StringKey a0)
2351 remove_attribute(XYZR self, ParticleIndexKey a0)
2352 remove_attribute(XYZR self, ObjectKey a0)
2353 remove_attribute(XYZR self, SparseFloatKey a0)
2354 remove_attribute(XYZR self, SparseIntKey a0)
2355 remove_attribute(XYZR self, SparseStringKey a0)
2356 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2358 return _IMP_core.XYZR_remove_attribute(self, *args)
2360 def has_attribute(self, *args):
2362 has_attribute(XYZR self, FloatKey a0) -> bool
2363 has_attribute(XYZR self, IntKey a0) -> bool
2364 has_attribute(XYZR self, FloatsKey a0) -> bool
2365 has_attribute(XYZR self, IntsKey a0) -> bool
2366 has_attribute(XYZR self, StringKey a0) -> bool
2367 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2368 has_attribute(XYZR self, ObjectKey a0) -> bool
2369 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2370 has_attribute(XYZR self, SparseIntKey a0) -> bool
2371 has_attribute(XYZR self, SparseStringKey a0) -> bool
2372 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2374 return _IMP_core.XYZR_has_attribute(self, *args)
2376 def get_derivative(self, a0):
2377 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2378 return _IMP_core.XYZR_get_derivative(self, a0)
2381 r"""get_name(XYZR self) -> std::string"""
2382 return _IMP_core.XYZR_get_name(self)
2384 def clear_caches(self):
2385 r"""clear_caches(XYZR self)"""
2386 return _IMP_core.XYZR_clear_caches(self)
2388 def set_name(self, a0):
2389 r"""set_name(XYZR self, std::string a0)"""
2390 return _IMP_core.XYZR_set_name(self, a0)
2393 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2394 return _IMP_core.XYZR_set_check_level(self, a0)
2396 def add_to_derivative(self, a0, a1, a2):
2397 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2398 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2400 def set_is_optimized(self, a0, a1):
2401 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2402 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2404 def get_is_optimized(self, a0):
2405 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2406 return _IMP_core.XYZR_get_is_optimized(self, a0)
2409 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2410 return _IMP_core.XYZR_get_check_level(self)
2412 def __eq__(self, *args):
2414 __eq__(XYZR self, XYZR o) -> bool
2415 __eq__(XYZR self, Particle d) -> bool
2417 return _IMP_core.XYZR___eq__(self, *args)
2419 def __ne__(self, *args):
2421 __ne__(XYZR self, XYZR o) -> bool
2422 __ne__(XYZR self, Particle d) -> bool
2424 return _IMP_core.XYZR___ne__(self, *args)
2426 def __le__(self, *args):
2428 __le__(XYZR self, XYZR o) -> bool
2429 __le__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___le__(self, *args)
2433 def __lt__(self, *args):
2435 __lt__(XYZR self, XYZR o) -> bool
2436 __lt__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___lt__(self, *args)
2440 def __ge__(self, *args):
2442 __ge__(XYZR self, XYZR o) -> bool
2443 __ge__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___ge__(self, *args)
2447 def __gt__(self, *args):
2449 __gt__(XYZR self, XYZR o) -> bool
2450 __gt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___gt__(self, *args)
2455 r"""__hash__(XYZR self) -> std::size_t"""
2456 return _IMP_core.XYZR___hash__(self)
2459 r"""__str__(XYZR self) -> std::string"""
2460 return _IMP_core.XYZR___str__(self)
2463 r"""__repr__(XYZR self) -> std::string"""
2464 return _IMP_core.XYZR___repr__(self)
2466 def _get_as_binary(self):
2467 r"""_get_as_binary(XYZR self) -> PyObject *"""
2468 return _IMP_core.XYZR__get_as_binary(self)
2470 def _set_from_binary(self, p):
2471 r"""_set_from_binary(XYZR self, PyObject * p)"""
2472 return _IMP_core.XYZR__set_from_binary(self, p)
2474 def __getstate__(self):
2475 p = self._get_as_binary()
2476 if len(self.__dict__) > 1:
2477 d = self.__dict__.copy()
2482 def __setstate__(self, p):
2483 if not hasattr(self,
'this'):
2485 if isinstance(p, tuple):
2487 self.__dict__.update(d)
2488 return self._set_from_binary(p)
2490 __swig_destroy__ = _IMP_core.delete_XYZR
2493 _IMP_core.XYZR_swigregister(XYZR)
2496 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2497 return _IMP_core.set_enclosing_sphere(b, v, slack)
2500 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2501 return _IMP_core.set_enclosing_radius(b, v)
2504 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2505 return _IMP_core.get_enclosing_sphere(v)
2508 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2509 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2511 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2515 def __init__(self, *args):
2517 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2518 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2520 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2522 def get_version_info(self):
2523 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2524 return _IMP_core.XYZRGeometry_get_version_info(self)
2525 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2528 r"""__str__(XYZRGeometry self) -> std::string"""
2529 return _IMP_core.XYZRGeometry___str__(self)
2532 r"""__repr__(XYZRGeometry self) -> std::string"""
2533 return _IMP_core.XYZRGeometry___repr__(self)
2537 return _object_cast_to_XYZRGeometry(o)
2541 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2543 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2545 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2547 def __init__(self, sc):
2548 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2549 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2551 def get_version_info(self):
2552 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2553 return _IMP_core.XYZRsGeometry_get_version_info(self)
2554 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2557 r"""__str__(XYZRsGeometry self) -> std::string"""
2558 return _IMP_core.XYZRsGeometry___str__(self)
2561 r"""__repr__(XYZRsGeometry self) -> std::string"""
2562 return _IMP_core.XYZRsGeometry___repr__(self)
2566 return _object_cast_to_XYZRsGeometry(o)
2570 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2572 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2576 def __init__(self, *args):
2578 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2579 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2581 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2583 def get_version_info(self):
2584 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2585 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2586 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2589 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2590 return _IMP_core.XYZDerivativeGeometry___str__(self)
2593 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2594 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2598 return _object_cast_to_XYZDerivativeGeometry(o)
2602 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2604 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2606 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2608 def __init__(self, sc):
2609 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2610 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2612 def get_version_info(self):
2613 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2614 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2615 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2618 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2619 return _IMP_core.XYZDerivativesGeometry___str__(self)
2622 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2623 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2627 return _object_cast_to_XYZDerivativesGeometry(o)
2631 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2633 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2637 def __init__(self, pp):
2638 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2639 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2641 def get_version_info(self):
2642 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2643 return _IMP_core.EdgePairGeometry_get_version_info(self)
2644 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2647 r"""__str__(EdgePairGeometry self) -> std::string"""
2648 return _IMP_core.EdgePairGeometry___str__(self)
2651 r"""__repr__(EdgePairGeometry self) -> std::string"""
2652 return _IMP_core.EdgePairGeometry___repr__(self)
2656 return _object_cast_to_EdgePairGeometry(o)
2660 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2662 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2666 def __init__(self, sc):
2667 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2668 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2670 def get_version_info(self):
2671 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2672 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2673 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2676 r"""__str__(EdgePairsGeometry self) -> std::string"""
2677 return _IMP_core.EdgePairsGeometry___str__(self)
2680 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2681 return _IMP_core.EdgePairsGeometry___repr__(self)
2685 return _object_cast_to_EdgePairsGeometry(o)
2689 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2691 r"""Proxy of C++ IMP::core::Direction class."""
2693 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2696 def do_setup_particle(m, pi, v):
2697 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2698 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2700 def __init__(self, *args):
2702 __init__(Direction self) -> Direction
2703 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2704 __init__(Direction self, _ParticleAdaptor d) -> Direction
2706 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2708 def show(self, *args):
2709 r"""show(Direction self, _ostream out=std::cout)"""
2710 return _IMP_core.Direction_show(self, *args)
2713 def setup_particle(*args):
2715 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2716 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2718 return _IMP_core.Direction_setup_particle(*args)
2721 def get_is_setup(*args):
2723 get_is_setup(_ParticleAdaptor p) -> bool
2724 get_is_setup(Model m, ParticleIndex pi) -> bool
2726 return _IMP_core.Direction_get_is_setup(*args)
2729 def get_direction_key(i):
2730 r"""get_direction_key(unsigned int i) -> FloatKey"""
2731 return _IMP_core.Direction_get_direction_key(i)
2733 def get_direction_derivative(self, i):
2734 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2735 return _IMP_core.Direction_get_direction_derivative(self, i)
2737 def get_direction_derivatives(self):
2738 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2739 return _IMP_core.Direction_get_direction_derivatives(self)
2741 def add_to_direction_derivative(self, i, v, d):
2742 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2743 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2745 def add_to_direction_derivatives(self, v, d):
2746 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2747 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2749 def get_direction_is_optimized(self):
2750 r"""get_direction_is_optimized(Direction self) -> bool"""
2751 return _IMP_core.Direction_get_direction_is_optimized(self)
2753 def set_direction_is_optimized(self, tf):
2754 r"""set_direction_is_optimized(Direction self, bool tf)"""
2755 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2757 def get_direction(self):
2758 r"""get_direction(Direction self) -> Vector3D"""
2759 return _IMP_core.Direction_get_direction(self)
2761 def set_direction(self, v):
2762 r"""set_direction(Direction self, Vector3D v)"""
2763 return _IMP_core.Direction_set_direction(self, v)
2766 r"""reflect(Direction self)"""
2767 return _IMP_core.Direction_reflect(self)
2769 def add_attribute(self, *args):
2771 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2772 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2773 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2774 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2775 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2776 add_attribute(Direction self, StringKey a0, IMP::String a1)
2777 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2778 add_attribute(Direction self, ObjectKey a0, Object a1)
2779 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2780 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2781 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2782 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2784 return _IMP_core.Direction_add_attribute(self, *args)
2786 def get_value(self, *args):
2788 get_value(Direction self, FloatKey a0) -> IMP::Float
2789 get_value(Direction self, IntKey a0) -> IMP::Int
2790 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2791 get_value(Direction self, IntsKey a0) -> IMP::Ints
2792 get_value(Direction self, StringKey a0) -> IMP::String
2793 get_value(Direction self, ParticleIndexKey a0) -> Particle
2794 get_value(Direction self, ObjectKey a0) -> Object
2795 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2796 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2797 get_value(Direction self, SparseStringKey a0) -> IMP::String
2798 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2800 return _IMP_core.Direction_get_value(self, *args)
2802 def set_value(self, *args):
2804 set_value(Direction self, FloatKey a0, IMP::Float a1)
2805 set_value(Direction self, IntKey a0, IMP::Int a1)
2806 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2807 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2808 set_value(Direction self, StringKey a0, IMP::String a1)
2809 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2810 set_value(Direction self, ObjectKey a0, Object a1)
2811 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2812 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2813 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2814 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2816 return _IMP_core.Direction_set_value(self, *args)
2818 def remove_attribute(self, *args):
2820 remove_attribute(Direction self, FloatKey a0)
2821 remove_attribute(Direction self, IntKey a0)
2822 remove_attribute(Direction self, FloatsKey a0)
2823 remove_attribute(Direction self, IntsKey a0)
2824 remove_attribute(Direction self, StringKey a0)
2825 remove_attribute(Direction self, ParticleIndexKey a0)
2826 remove_attribute(Direction self, ObjectKey a0)
2827 remove_attribute(Direction self, SparseFloatKey a0)
2828 remove_attribute(Direction self, SparseIntKey a0)
2829 remove_attribute(Direction self, SparseStringKey a0)
2830 remove_attribute(Direction self, SparseParticleIndexKey a0)
2832 return _IMP_core.Direction_remove_attribute(self, *args)
2834 def has_attribute(self, *args):
2836 has_attribute(Direction self, FloatKey a0) -> bool
2837 has_attribute(Direction self, IntKey a0) -> bool
2838 has_attribute(Direction self, FloatsKey a0) -> bool
2839 has_attribute(Direction self, IntsKey a0) -> bool
2840 has_attribute(Direction self, StringKey a0) -> bool
2841 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2842 has_attribute(Direction self, ObjectKey a0) -> bool
2843 has_attribute(Direction self, SparseFloatKey a0) -> bool
2844 has_attribute(Direction self, SparseIntKey a0) -> bool
2845 has_attribute(Direction self, SparseStringKey a0) -> bool
2846 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2848 return _IMP_core.Direction_has_attribute(self, *args)
2850 def get_derivative(self, a0):
2851 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2852 return _IMP_core.Direction_get_derivative(self, a0)
2855 r"""get_name(Direction self) -> std::string"""
2856 return _IMP_core.Direction_get_name(self)
2858 def clear_caches(self):
2859 r"""clear_caches(Direction self)"""
2860 return _IMP_core.Direction_clear_caches(self)
2862 def set_name(self, a0):
2863 r"""set_name(Direction self, std::string a0)"""
2864 return _IMP_core.Direction_set_name(self, a0)
2867 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2868 return _IMP_core.Direction_set_check_level(self, a0)
2870 def add_to_derivative(self, a0, a1, a2):
2871 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2872 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2874 def set_is_optimized(self, a0, a1):
2875 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2876 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2878 def get_is_optimized(self, a0):
2879 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2880 return _IMP_core.Direction_get_is_optimized(self, a0)
2883 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2884 return _IMP_core.Direction_get_check_level(self)
2886 def __eq__(self, *args):
2888 __eq__(Direction self, Direction o) -> bool
2889 __eq__(Direction self, Particle d) -> bool
2891 return _IMP_core.Direction___eq__(self, *args)
2893 def __ne__(self, *args):
2895 __ne__(Direction self, Direction o) -> bool
2896 __ne__(Direction self, Particle d) -> bool
2898 return _IMP_core.Direction___ne__(self, *args)
2900 def __le__(self, *args):
2902 __le__(Direction self, Direction o) -> bool
2903 __le__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___le__(self, *args)
2907 def __lt__(self, *args):
2909 __lt__(Direction self, Direction o) -> bool
2910 __lt__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___lt__(self, *args)
2914 def __ge__(self, *args):
2916 __ge__(Direction self, Direction o) -> bool
2917 __ge__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___ge__(self, *args)
2921 def __gt__(self, *args):
2923 __gt__(Direction self, Direction o) -> bool
2924 __gt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___gt__(self, *args)
2929 r"""__hash__(Direction self) -> std::size_t"""
2930 return _IMP_core.Direction___hash__(self)
2933 r"""__str__(Direction self) -> std::string"""
2934 return _IMP_core.Direction___str__(self)
2937 r"""__repr__(Direction self) -> std::string"""
2938 return _IMP_core.Direction___repr__(self)
2940 def _get_as_binary(self):
2941 r"""_get_as_binary(Direction self) -> PyObject *"""
2942 return _IMP_core.Direction__get_as_binary(self)
2944 def _set_from_binary(self, p):
2945 r"""_set_from_binary(Direction self, PyObject * p)"""
2946 return _IMP_core.Direction__set_from_binary(self, p)
2948 def __getstate__(self):
2949 p = self._get_as_binary()
2950 if len(self.__dict__) > 1:
2951 d = self.__dict__.copy()
2956 def __setstate__(self, p):
2957 if not hasattr(self,
'this'):
2959 if isinstance(p, tuple):
2961 self.__dict__.update(d)
2962 return self._set_from_binary(p)
2964 __swig_destroy__ = _IMP_core.delete_Direction
2967 _IMP_core.Direction_swigregister(Direction)
2970 r"""get_angle(Direction a, Direction b) -> double"""
2971 return _IMP_core.get_angle(a, b)
2973 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2977 def __init__(self, *args):
2979 __init__(DirectionAngle self) -> DirectionAngle
2980 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2981 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2983 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2985 def show(self, *args):
2986 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2987 return _IMP_core.DirectionAngle_show(self, *args)
2990 def setup_particle(*args):
2992 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2993 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2994 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2995 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2997 return _IMP_core.DirectionAngle_setup_particle(*args)
3000 def get_is_setup(*args):
3002 get_is_setup(_ParticleAdaptor p) -> bool
3003 get_is_setup(Model m, ParticleIndex pi) -> bool
3005 return _IMP_core.DirectionAngle_get_is_setup(*args)
3008 def get_angle_key():
3009 r"""get_angle_key() -> FloatKey"""
3010 return _IMP_core.DirectionAngle_get_angle_key()
3013 def get_particle_key(i):
3014 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3015 return _IMP_core.DirectionAngle_get_particle_key(i)
3017 def get_particle(self, *args):
3019 get_particle(DirectionAngle self, unsigned int i) -> Particle
3020 get_particle(DirectionAngle self) -> Particle
3022 return _IMP_core.DirectionAngle_get_particle(self, *args)
3024 def get_particle_index(self, *args):
3026 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3027 get_particle_index(DirectionAngle self) -> ParticleIndex
3029 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3032 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3033 return _IMP_core.DirectionAngle_get_angle(self)
3035 def get_angle_derivative(self):
3036 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3037 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3039 def add_to_angle_derivative(self, v, d):
3040 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3041 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3043 def add_attribute(self, *args):
3045 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3046 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3047 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3048 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3049 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3050 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3051 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3052 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3053 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3054 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3055 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3056 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3058 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3060 def get_value(self, *args):
3062 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3063 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3064 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3065 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3066 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3067 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3068 get_value(DirectionAngle self, ObjectKey a0) -> Object
3069 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3070 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3071 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3072 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3074 return _IMP_core.DirectionAngle_get_value(self, *args)
3076 def set_value(self, *args):
3078 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3079 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3080 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3081 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3082 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3083 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3084 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3085 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3086 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3087 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3088 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3090 return _IMP_core.DirectionAngle_set_value(self, *args)
3092 def remove_attribute(self, *args):
3094 remove_attribute(DirectionAngle self, FloatKey a0)
3095 remove_attribute(DirectionAngle self, IntKey a0)
3096 remove_attribute(DirectionAngle self, FloatsKey a0)
3097 remove_attribute(DirectionAngle self, IntsKey a0)
3098 remove_attribute(DirectionAngle self, StringKey a0)
3099 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3100 remove_attribute(DirectionAngle self, ObjectKey a0)
3101 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3102 remove_attribute(DirectionAngle self, SparseIntKey a0)
3103 remove_attribute(DirectionAngle self, SparseStringKey a0)
3104 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3106 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3108 def has_attribute(self, *args):
3110 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3111 has_attribute(DirectionAngle self, IntKey a0) -> bool
3112 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3113 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3114 has_attribute(DirectionAngle self, StringKey a0) -> bool
3115 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3116 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3117 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3118 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3119 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3120 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3122 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3124 def get_derivative(self, a0):
3125 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3126 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3129 r"""get_name(DirectionAngle self) -> std::string"""
3130 return _IMP_core.DirectionAngle_get_name(self)
3132 def clear_caches(self):
3133 r"""clear_caches(DirectionAngle self)"""
3134 return _IMP_core.DirectionAngle_clear_caches(self)
3136 def set_name(self, a0):
3137 r"""set_name(DirectionAngle self, std::string a0)"""
3138 return _IMP_core.DirectionAngle_set_name(self, a0)
3141 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3142 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3144 def add_to_derivative(self, a0, a1, a2):
3145 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3146 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3148 def set_is_optimized(self, a0, a1):
3149 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3150 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3152 def get_is_optimized(self, a0):
3153 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3154 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3157 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3158 return _IMP_core.DirectionAngle_get_check_level(self)
3160 def __eq__(self, *args):
3162 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3163 __eq__(DirectionAngle self, Particle d) -> bool
3165 return _IMP_core.DirectionAngle___eq__(self, *args)
3167 def __ne__(self, *args):
3169 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3170 __ne__(DirectionAngle self, Particle d) -> bool
3172 return _IMP_core.DirectionAngle___ne__(self, *args)
3174 def __le__(self, *args):
3176 __le__(DirectionAngle self, DirectionAngle o) -> bool
3177 __le__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___le__(self, *args)
3181 def __lt__(self, *args):
3183 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3184 __lt__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___lt__(self, *args)
3188 def __ge__(self, *args):
3190 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3191 __ge__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___ge__(self, *args)
3195 def __gt__(self, *args):
3197 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __gt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___gt__(self, *args)
3203 r"""__hash__(DirectionAngle self) -> std::size_t"""
3204 return _IMP_core.DirectionAngle___hash__(self)
3207 r"""__str__(DirectionAngle self) -> std::string"""
3208 return _IMP_core.DirectionAngle___str__(self)
3211 r"""__repr__(DirectionAngle self) -> std::string"""
3212 return _IMP_core.DirectionAngle___repr__(self)
3214 def _get_as_binary(self):
3215 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3216 return _IMP_core.DirectionAngle__get_as_binary(self)
3218 def _set_from_binary(self, p):
3219 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3220 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3222 def __getstate__(self):
3223 p = self._get_as_binary()
3224 if len(self.__dict__) > 1:
3225 d = self.__dict__.copy()
3230 def __setstate__(self, p):
3231 if not hasattr(self,
'this'):
3233 if isinstance(p, tuple):
3235 self.__dict__.update(d)
3236 return self._set_from_binary(p)
3238 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3241 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3243 r"""Proxy of C++ IMP::core::Surface class."""
3245 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3248 def do_setup_particle(*args):
3250 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3251 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3253 return _IMP_core.Surface_do_setup_particle(*args)
3255 def __init__(self, *args):
3257 __init__(Surface self) -> Surface
3258 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3259 __init__(Surface self, _ParticleAdaptor d) -> Surface
3261 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3263 def show(self, *args):
3264 r"""show(Surface self, _ostream out=std::cout)"""
3265 return _IMP_core.Surface_show(self, *args)
3268 def setup_particle(*args):
3270 setup_particle(Model m, ParticleIndex pi) -> Surface
3271 setup_particle(_ParticleAdaptor pa) -> Surface
3272 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3273 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3274 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3275 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3276 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3277 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3279 return _IMP_core.Surface_setup_particle(*args)
3281 def get_normal_x(self):
3282 r"""get_normal_x(Surface self) -> IMP::Float"""
3283 return _IMP_core.Surface_get_normal_x(self)
3285 def set_normal_x(self, t):
3286 r"""set_normal_x(Surface self, IMP::Float t)"""
3287 return _IMP_core.Surface_set_normal_x(self, t)
3289 def get_normal_y(self):
3290 r"""get_normal_y(Surface self) -> IMP::Float"""
3291 return _IMP_core.Surface_get_normal_y(self)
3293 def set_normal_y(self, t):
3294 r"""set_normal_y(Surface self, IMP::Float t)"""
3295 return _IMP_core.Surface_set_normal_y(self, t)
3297 def get_normal_z(self):
3298 r"""get_normal_z(Surface self) -> IMP::Float"""
3299 return _IMP_core.Surface_get_normal_z(self)
3301 def set_normal_z(self, t):
3302 r"""set_normal_z(Surface self, IMP::Float t)"""
3303 return _IMP_core.Surface_set_normal_z(self, t)
3306 def get_is_setup(*args):
3308 get_is_setup(_ParticleAdaptor p) -> bool
3309 get_is_setup(Model m, ParticleIndex pi) -> bool
3311 return _IMP_core.Surface_get_is_setup(*args)
3314 def get_normal_key(i):
3315 r"""get_normal_key(unsigned int i) -> FloatKey"""
3316 return _IMP_core.Surface_get_normal_key(i)
3318 def get_normal_derivative(self, i):
3319 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3320 return _IMP_core.Surface_get_normal_derivative(self, i)
3322 def get_normal_derivatives(self):
3323 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3324 return _IMP_core.Surface_get_normal_derivatives(self)
3326 def add_to_normal_derivative(self, i, v, d):
3327 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3328 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3330 def add_to_normal_derivatives(self, v, d):
3331 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3332 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3334 def get_normal_is_optimized(self):
3335 r"""get_normal_is_optimized(Surface self) -> bool"""
3336 return _IMP_core.Surface_get_normal_is_optimized(self)
3338 def set_normal_is_optimized(self, tf):
3339 r"""set_normal_is_optimized(Surface self, bool tf)"""
3340 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3342 def get_normal(self):
3343 r"""get_normal(Surface self) -> Vector3D"""
3344 return _IMP_core.Surface_get_normal(self)
3346 def set_normal(self, normal):
3347 r"""set_normal(Surface self, Vector3D normal)"""
3348 return _IMP_core.Surface_set_normal(self, normal)
3351 r"""reflect(Surface self)"""
3352 return _IMP_core.Surface_reflect(self)
3355 r"""get_height(Surface self, Vector3D v) -> double"""
3356 return _IMP_core.Surface_get_height(self, v)
3359 r"""get_depth(Surface self, Vector3D v) -> double"""
3360 return _IMP_core.Surface_get_depth(self, v)
3362 def get_distance_to(self, v):
3363 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3364 return _IMP_core.Surface_get_distance_to(self, v)
3366 def get_distance_to_center(self, v):
3367 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3368 return _IMP_core.Surface_get_distance_to_center(self, v)
3370 def set_reference_frame(self, rf):
3371 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3372 return _IMP_core.Surface_set_reference_frame(self, rf)
3374 def get_reference_frame(self):
3375 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3376 return _IMP_core.Surface_get_reference_frame(self)
3378 def get_plane(self):
3379 r"""get_plane(Surface self) -> Plane3D"""
3380 return _IMP_core.Surface_get_plane(self)
3382 def add_attribute(self, *args):
3384 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3385 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3386 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3387 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3388 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3389 add_attribute(Surface self, StringKey a0, IMP::String a1)
3390 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3391 add_attribute(Surface self, ObjectKey a0, Object a1)
3392 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3393 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3394 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3395 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3397 return _IMP_core.Surface_add_attribute(self, *args)
3399 def get_value(self, *args):
3401 get_value(Surface self, FloatKey a0) -> IMP::Float
3402 get_value(Surface self, IntKey a0) -> IMP::Int
3403 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3404 get_value(Surface self, IntsKey a0) -> IMP::Ints
3405 get_value(Surface self, StringKey a0) -> IMP::String
3406 get_value(Surface self, ParticleIndexKey a0) -> Particle
3407 get_value(Surface self, ObjectKey a0) -> Object
3408 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3409 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3410 get_value(Surface self, SparseStringKey a0) -> IMP::String
3411 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3413 return _IMP_core.Surface_get_value(self, *args)
3415 def set_value(self, *args):
3417 set_value(Surface self, FloatKey a0, IMP::Float a1)
3418 set_value(Surface self, IntKey a0, IMP::Int a1)
3419 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3420 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3421 set_value(Surface self, StringKey a0, IMP::String a1)
3422 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3423 set_value(Surface self, ObjectKey a0, Object a1)
3424 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3425 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3426 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3427 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3429 return _IMP_core.Surface_set_value(self, *args)
3431 def remove_attribute(self, *args):
3433 remove_attribute(Surface self, FloatKey a0)
3434 remove_attribute(Surface self, IntKey a0)
3435 remove_attribute(Surface self, FloatsKey a0)
3436 remove_attribute(Surface self, IntsKey a0)
3437 remove_attribute(Surface self, StringKey a0)
3438 remove_attribute(Surface self, ParticleIndexKey a0)
3439 remove_attribute(Surface self, ObjectKey a0)
3440 remove_attribute(Surface self, SparseFloatKey a0)
3441 remove_attribute(Surface self, SparseIntKey a0)
3442 remove_attribute(Surface self, SparseStringKey a0)
3443 remove_attribute(Surface self, SparseParticleIndexKey a0)
3445 return _IMP_core.Surface_remove_attribute(self, *args)
3447 def has_attribute(self, *args):
3449 has_attribute(Surface self, FloatKey a0) -> bool
3450 has_attribute(Surface self, IntKey a0) -> bool
3451 has_attribute(Surface self, FloatsKey a0) -> bool
3452 has_attribute(Surface self, IntsKey a0) -> bool
3453 has_attribute(Surface self, StringKey a0) -> bool
3454 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3455 has_attribute(Surface self, ObjectKey a0) -> bool
3456 has_attribute(Surface self, SparseFloatKey a0) -> bool
3457 has_attribute(Surface self, SparseIntKey a0) -> bool
3458 has_attribute(Surface self, SparseStringKey a0) -> bool
3459 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3461 return _IMP_core.Surface_has_attribute(self, *args)
3463 def get_derivative(self, a0):
3464 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3465 return _IMP_core.Surface_get_derivative(self, a0)
3468 r"""get_name(Surface self) -> std::string"""
3469 return _IMP_core.Surface_get_name(self)
3471 def clear_caches(self):
3472 r"""clear_caches(Surface self)"""
3473 return _IMP_core.Surface_clear_caches(self)
3475 def set_name(self, a0):
3476 r"""set_name(Surface self, std::string a0)"""
3477 return _IMP_core.Surface_set_name(self, a0)
3480 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3481 return _IMP_core.Surface_set_check_level(self, a0)
3483 def add_to_derivative(self, a0, a1, a2):
3484 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3485 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3487 def set_is_optimized(self, a0, a1):
3488 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3489 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3491 def get_is_optimized(self, a0):
3492 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3493 return _IMP_core.Surface_get_is_optimized(self, a0)
3496 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3497 return _IMP_core.Surface_get_check_level(self)
3499 def __eq__(self, *args):
3501 __eq__(Surface self, Surface o) -> bool
3502 __eq__(Surface self, Particle d) -> bool
3504 return _IMP_core.Surface___eq__(self, *args)
3506 def __ne__(self, *args):
3508 __ne__(Surface self, Surface o) -> bool
3509 __ne__(Surface self, Particle d) -> bool
3511 return _IMP_core.Surface___ne__(self, *args)
3513 def __le__(self, *args):
3515 __le__(Surface self, Surface o) -> bool
3516 __le__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___le__(self, *args)
3520 def __lt__(self, *args):
3522 __lt__(Surface self, Surface o) -> bool
3523 __lt__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___lt__(self, *args)
3527 def __ge__(self, *args):
3529 __ge__(Surface self, Surface o) -> bool
3530 __ge__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___ge__(self, *args)
3534 def __gt__(self, *args):
3536 __gt__(Surface self, Surface o) -> bool
3537 __gt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___gt__(self, *args)
3542 r"""__hash__(Surface self) -> std::size_t"""
3543 return _IMP_core.Surface___hash__(self)
3546 r"""__str__(Surface self) -> std::string"""
3547 return _IMP_core.Surface___str__(self)
3550 r"""__repr__(Surface self) -> std::string"""
3551 return _IMP_core.Surface___repr__(self)
3553 def _get_as_binary(self):
3554 r"""_get_as_binary(Surface self) -> PyObject *"""
3555 return _IMP_core.Surface__get_as_binary(self)
3557 def _set_from_binary(self, p):
3558 r"""_set_from_binary(Surface self, PyObject * p)"""
3559 return _IMP_core.Surface__set_from_binary(self, p)
3561 def __getstate__(self):
3562 p = self._get_as_binary()
3563 if len(self.__dict__) > 1:
3564 d = self.__dict__.copy()
3569 def __setstate__(self, p):
3570 if not hasattr(self,
'this'):
3572 if isinstance(p, tuple):
3574 self.__dict__.update(d)
3575 return self._set_from_binary(p)
3577 __swig_destroy__ = _IMP_core.delete_Surface
3580 _IMP_core.Surface_swigregister(Surface)
3584 get_height(Surface s, XYZR d) -> double
3585 get_height(Surface s, XYZ d) -> double
3587 return _IMP_core.get_height(*args)
3591 get_depth(Surface s, XYZR d) -> double
3592 get_depth(Surface s, XYZ d) -> double
3594 return _IMP_core.get_depth(*args)
3598 get_distance(XYZ a, XYZ b) -> double
3599 get_distance(XYZR a, XYZR b) -> double
3600 get_distance(Surface s, XYZR d) -> double
3601 get_distance(Surface s, XYZ d) -> double
3603 return _IMP_core.get_distance(*args)
3605 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3609 def __init__(self, *args):
3611 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3612 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3613 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3615 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3617 def get_geometry(self):
3618 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3619 return _IMP_core.SurfaceGeometry_get_geometry(self)
3621 def set_geometry(self, s):
3622 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3623 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3625 def get_version_info(self):
3626 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3627 return _IMP_core.SurfaceGeometry_get_version_info(self)
3628 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3631 r"""__str__(SurfaceGeometry self) -> std::string"""
3632 return _IMP_core.SurfaceGeometry___str__(self)
3635 r"""__repr__(SurfaceGeometry self) -> std::string"""
3636 return _IMP_core.SurfaceGeometry___repr__(self)
3640 return _object_cast_to_SurfaceGeometry(o)
3644 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3647 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3648 return _IMP_core.create_geometry(*args)
3650 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3652 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3654 def __init__(self, s, g):
3655 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3656 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3658 def get_surface(self):
3659 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3660 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3662 def get_geometry(self):
3663 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3664 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3666 def do_get_inputs(self):
3667 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3668 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3670 def do_get_outputs(self):
3671 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3672 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3674 def get_version_info(self):
3675 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3676 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3677 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3680 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3681 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3684 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3685 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3689 return _object_cast_to_SurfaceGeometryConstraint(o)
3693 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3696 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3697 return _IMP_core.get_constrained_surface_geometry(*args)
3699 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3703 def __init__(self, s, d):
3704 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3705 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3707 def do_get_inputs(self):
3708 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3709 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3711 def do_get_outputs(self):
3712 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3713 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3715 def get_version_info(self):
3716 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3717 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3718 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3721 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3722 return _IMP_core.LateralSurfaceConstraint___str__(self)
3725 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3726 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3730 return _object_cast_to_LateralSurfaceConstraint(o)
3734 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3736 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3740 def __init__(self, *args):
3742 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3743 __init__(AngleTripletScore self) -> AngleTripletScore
3745 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3747 def do_get_inputs(self, m, pis):
3748 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3749 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3751 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3752 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"""
3753 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3755 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3756 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"""
3757 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3759 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3760 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"""
3761 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3763 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3764 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"""
3765 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3767 def get_version_info(self):
3768 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3769 return _IMP_core.AngleTripletScore_get_version_info(self)
3770 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3773 r"""__str__(AngleTripletScore self) -> std::string"""
3774 return _IMP_core.AngleTripletScore___str__(self)
3777 r"""__repr__(AngleTripletScore self) -> std::string"""
3778 return _IMP_core.AngleTripletScore___repr__(self)
3782 return _object_cast_to_AngleTripletScore(o)
3785 def _get_as_binary(self):
3786 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3787 return _IMP_core.AngleTripletScore__get_as_binary(self)
3789 def _set_from_binary(self, p):
3790 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3791 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3793 def __getstate__(self):
3794 p = self._get_as_binary()
3795 if len(self.__dict__) > 1:
3796 d = self.__dict__.copy()
3801 def __setstate__(self, p):
3802 if not hasattr(self,
'this'):
3804 if isinstance(p, tuple):
3806 self.__dict__.update(d)
3807 return self._set_from_binary(p)
3811 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3812 class BallMover(MonteCarloMover):
3813 r"""Proxy of C++ IMP::core::BallMover class."""
3815 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3817 def __init__(self, *args):
3819 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3820 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3821 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3822 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3823 __init__(BallMover self) -> BallMover
3825 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3827 def set_radius(self, radius):
3828 r"""set_radius(BallMover self, IMP::Float radius)"""
3829 return _IMP_core.BallMover_set_radius(self, radius)
3831 def get_radius(self):
3832 r"""get_radius(BallMover self) -> IMP::Float"""
3833 return _IMP_core.BallMover_get_radius(self)
3836 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3837 return _IMP_core.BallMover_get_indexes(self)
3840 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3841 return _IMP_core.BallMover_get_keys(self)
3843 def get_version_info(self):
3844 r"""get_version_info(BallMover self) -> VersionInfo"""
3845 return _IMP_core.BallMover_get_version_info(self)
3846 __swig_destroy__ = _IMP_core.delete_BallMover
3849 r"""__str__(BallMover self) -> std::string"""
3850 return _IMP_core.BallMover___str__(self)
3853 r"""__repr__(BallMover self) -> std::string"""
3854 return _IMP_core.BallMover___repr__(self)
3858 return _object_cast_to_BallMover(o)
3861 def _get_as_binary(self):
3862 r"""_get_as_binary(BallMover self) -> PyObject *"""
3863 return _IMP_core.BallMover__get_as_binary(self)
3865 def _set_from_binary(self, p):
3866 r"""_set_from_binary(BallMover self, PyObject * p)"""
3867 return _IMP_core.BallMover__set_from_binary(self, p)
3869 def __getstate__(self):
3870 p = self._get_as_binary()
3871 if len(self.__dict__) > 1:
3872 d = self.__dict__.copy()
3877 def __setstate__(self, p):
3878 if not hasattr(self,
'this'):
3880 if isinstance(p, tuple):
3882 self.__dict__.update(d)
3883 return self._set_from_binary(p)
3888 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3889 indexes = self.get_indexes()
3890 keys = frozenset(self.get_keys())
3893 elif keys == frozenset(
3897 raise NotImplementedError(
3898 "Only works for XYZ or internal coordinates")
3899 radius = self.get_radius()
3904 def propose_func(jm, key):
3905 key, subkey = jax.random.split(key)
3906 v = get_random_vector_in_3d_sphere(subkey, radius)
3908 rbs = jm[
'rigid_bodies']
3909 rbs.intcoord = rbs.intcoord.at[indexes].add(v)
3911 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3913 return self._wrap_jax(init_func, propose_func,
3914 keys=[
'rigid_bodies']
if intcoord
else None)
3918 _IMP_core.BallMover_swigregister(BallMover)
3919 class SerialMover(MonteCarloMover):
3920 r"""Proxy of C++ IMP::core::SerialMover class."""
3922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3924 def __init__(self, *args):
3926 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3927 __init__(SerialMover self) -> SerialMover
3929 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3931 def get_movers(self):
3932 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3933 return _IMP_core.SerialMover_get_movers(self)
3935 def get_version_info(self):
3936 r"""get_version_info(SerialMover self) -> VersionInfo"""
3937 return _IMP_core.SerialMover_get_version_info(self)
3938 __swig_destroy__ = _IMP_core.delete_SerialMover
3941 r"""__str__(SerialMover self) -> std::string"""
3942 return _IMP_core.SerialMover___str__(self)
3945 r"""__repr__(SerialMover self) -> std::string"""
3946 return _IMP_core.SerialMover___repr__(self)
3950 return _object_cast_to_SerialMover(o)
3953 def _get_as_binary(self):
3954 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3955 return _IMP_core.SerialMover__get_as_binary(self)
3957 def _set_from_binary(self, p):
3958 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3959 return _IMP_core.SerialMover__set_from_binary(self, p)
3961 def __getstate__(self):
3962 p = self._get_as_binary()
3963 if len(self.__dict__) > 1:
3964 d = self.__dict__.copy()
3969 def __setstate__(self, p):
3970 if not hasattr(self,
'this'):
3972 if isinstance(p, tuple):
3974 self.__dict__.update(d)
3975 return self._set_from_binary(p)
3981 import jax.numpy
as jnp
3982 from IMP.core._jax_util
import _SerialMover
3983 movers = [m.get_derived_object()._get_jax()
3984 for m
in self.get_movers()]
3986 def sub_propose_func(jm, sms, i):
3987 """Call the propose_func of the ith mover"""
3988 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3989 jm, sms.mover_state[i])
3990 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
3991 return jm, sms, ratio
3993 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3994 for i
in range(len(movers))]
4000 key, subkey = jax.random.split(key)
4001 mover_state.append(m.init_func(subkey))
4002 return _SerialMover(
4003 imov=-1, mover_state=mover_state,
4004 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4005 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4007 def propose_func(jm, sms):
4008 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4009 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4011 def accept_func(sms):
4013 sms.accepted_mover_steps = \
4014 sms.accepted_mover_steps.at[sms.imov].add(1)
4017 def sync_func(imp_mover, sms):
4019 for i, mover
in enumerate(imp_mover.get_movers()):
4020 mover.add_to_statistics(
4021 sms.proposed_mover_steps[i],
4022 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4024 return self._wrap_jax(
4025 init_func, propose_func, accept_func, sync_func,
4026 keys=frozenset(x
for m
in movers
for x
in m._keys))
4030 _IMP_core.SerialMover_swigregister(SerialMover)
4031 class SubsetMover(MonteCarloMover):
4032 r"""Proxy of C++ IMP::core::SubsetMover class."""
4034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4036 def __init__(self, *args):
4038 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4039 __init__(SubsetMover self) -> SubsetMover
4041 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4043 def get_movers(self):
4044 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4045 return _IMP_core.SubsetMover_get_movers(self)
4047 def get_subset_size(self):
4048 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4049 return _IMP_core.SubsetMover_get_subset_size(self)
4051 def get_version_info(self):
4052 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4053 return _IMP_core.SubsetMover_get_version_info(self)
4054 __swig_destroy__ = _IMP_core.delete_SubsetMover
4057 r"""__str__(SubsetMover self) -> std::string"""
4058 return _IMP_core.SubsetMover___str__(self)
4061 r"""__repr__(SubsetMover self) -> std::string"""
4062 return _IMP_core.SubsetMover___repr__(self)
4066 return _object_cast_to_SubsetMover(o)
4069 def _get_as_binary(self):
4070 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4071 return _IMP_core.SubsetMover__get_as_binary(self)
4073 def _set_from_binary(self, p):
4074 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4075 return _IMP_core.SubsetMover__set_from_binary(self, p)
4077 def __getstate__(self):
4078 p = self._get_as_binary()
4079 if len(self.__dict__) > 1:
4080 d = self.__dict__.copy()
4085 def __setstate__(self, p):
4086 if not hasattr(self,
'this'):
4088 if isinstance(p, tuple):
4090 self.__dict__.update(d)
4091 return self._set_from_binary(p)
4095 _IMP_core.SubsetMover_swigregister(SubsetMover)
4096 class DirectionMover(MonteCarloMover):
4097 r"""Proxy of C++ IMP::core::DirectionMover class."""
4099 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4101 def __init__(self, *args):
4103 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4104 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4105 __init__(DirectionMover self) -> DirectionMover
4107 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4109 def set_maximum_rotation(self, mr):
4110 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4111 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4113 def set_reflect_probability(self, rp):
4114 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4115 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4117 def get_maximum_rotation(self):
4118 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4119 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4121 def get_reflect_probability(self):
4122 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4123 return _IMP_core.DirectionMover_get_reflect_probability(self)
4125 def get_direction(self):
4126 r"""get_direction(DirectionMover self) -> Direction"""
4127 return _IMP_core.DirectionMover_get_direction(self)
4129 def get_version_info(self):
4130 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4131 return _IMP_core.DirectionMover_get_version_info(self)
4132 __swig_destroy__ = _IMP_core.delete_DirectionMover
4135 r"""__str__(DirectionMover self) -> std::string"""
4136 return _IMP_core.DirectionMover___str__(self)
4139 r"""__repr__(DirectionMover self) -> std::string"""
4140 return _IMP_core.DirectionMover___repr__(self)
4144 return _object_cast_to_DirectionMover(o)
4147 def _get_as_binary(self):
4148 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4149 return _IMP_core.DirectionMover__get_as_binary(self)
4151 def _set_from_binary(self, p):
4152 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4153 return _IMP_core.DirectionMover__set_from_binary(self, p)
4155 def __getstate__(self):
4156 p = self._get_as_binary()
4157 if len(self.__dict__) > 1:
4158 d = self.__dict__.copy()
4163 def __setstate__(self, p):
4164 if not hasattr(self,
'this'):
4166 if isinstance(p, tuple):
4168 self.__dict__.update(d)
4169 return self._set_from_binary(p)
4173 _IMP_core.DirectionMover_swigregister(DirectionMover)
4174 class SurfaceMover(MonteCarloMover):
4175 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4177 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4179 def __init__(self, *args):
4181 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4182 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4183 __init__(SurfaceMover self) -> SurfaceMover
4185 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4187 def set_maximum_translation(self, mt):
4188 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4189 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4191 def set_maximum_rotation(self, mr):
4192 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4193 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4195 def set_reflect_probability(self, rp):
4196 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4197 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4199 def get_maximum_translation(self):
4200 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4201 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4203 def get_maximum_rotation(self):
4204 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4205 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4207 def get_reflect_probability(self):
4208 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4209 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4211 def get_surface(self):
4212 r"""get_surface(SurfaceMover self) -> Surface"""
4213 return _IMP_core.SurfaceMover_get_surface(self)
4215 def get_version_info(self):
4216 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4217 return _IMP_core.SurfaceMover_get_version_info(self)
4218 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4221 r"""__str__(SurfaceMover self) -> std::string"""
4222 return _IMP_core.SurfaceMover___str__(self)
4225 r"""__repr__(SurfaceMover self) -> std::string"""
4226 return _IMP_core.SurfaceMover___repr__(self)
4230 return _object_cast_to_SurfaceMover(o)
4233 def _get_as_binary(self):
4234 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4235 return _IMP_core.SurfaceMover__get_as_binary(self)
4237 def _set_from_binary(self, p):
4238 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4239 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4241 def __getstate__(self):
4242 p = self._get_as_binary()
4243 if len(self.__dict__) > 1:
4244 d = self.__dict__.copy()
4249 def __setstate__(self, p):
4250 if not hasattr(self,
'this'):
4252 if isinstance(p, tuple):
4254 self.__dict__.update(d)
4255 return self._set_from_binary(p)
4259 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4260 class BoxSweepClosePairsFinder(ClosePairsFinder):
4261 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4263 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4266 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4267 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4269 def get_close_pairs(self, *args):
4271 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4272 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4273 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4274 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4276 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4278 def do_get_inputs(self, m, pis):
4279 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4280 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4282 def get_version_info(self):
4283 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4284 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4285 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4288 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4289 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4292 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4293 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4297 return _object_cast_to_BoxSweepClosePairsFinder(o)
4301 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4303 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4305 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4307 def __init__(self, *args):
4309 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4310 __init__(CentroidOfRefined self) -> CentroidOfRefined
4312 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4314 def get_refiner(self):
4315 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4316 return _IMP_core.CentroidOfRefined_get_refiner(self)
4318 def get_weight(self):
4319 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4320 return _IMP_core.CentroidOfRefined_get_weight(self)
4323 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4324 return _IMP_core.CentroidOfRefined_get_keys(self)
4326 def get_is_weight_null(self):
4327 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4328 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4330 def do_get_inputs(self, m, pis):
4331 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4332 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4334 def do_get_outputs(self, m, pis):
4335 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4336 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4338 def get_version_info(self):
4339 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4340 return _IMP_core.CentroidOfRefined_get_version_info(self)
4341 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4344 r"""__str__(CentroidOfRefined self) -> std::string"""
4345 return _IMP_core.CentroidOfRefined___str__(self)
4348 r"""__repr__(CentroidOfRefined self) -> std::string"""
4349 return _IMP_core.CentroidOfRefined___repr__(self)
4353 return _object_cast_to_CentroidOfRefined(o)
4356 def _get_as_binary(self):
4357 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4358 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4360 def _set_from_binary(self, p):
4361 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4362 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4364 def __getstate__(self):
4365 p = self._get_as_binary()
4366 if len(self.__dict__) > 1:
4367 d = self.__dict__.copy()
4372 def __setstate__(self, p):
4373 if not hasattr(self,
'this'):
4375 if isinstance(p, tuple):
4377 self.__dict__.update(d)
4378 return self._set_from_binary(p)
4381 def _get_jax(self, m, indexes):
4382 import jax.numpy
as jnp
4385 for index
in indexes]
4387 def apply_func_unweighted(jm):
4388 for ind, ref
in zip(indexes, refined):
4390 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4393 def apply_func_weighted(jm, weight_key):
4394 for ind, ref
in zip(indexes, refined):
4396 weights = jm[weight_key][ref]
4397 jm[
'xyz'] = xyz.at[ind].set(
4398 jnp.average(xyz[ref], axis=0, weights=weights))
4401 keys = frozenset(self.get_keys())
4403 raise NotImplementedError(
"Only works for XYZ")
4405 if self.get_is_weight_null():
4406 return self._wrap_jax(apply_func_unweighted)
4408 weight_key = self.get_weight()
4409 return self._wrap_jax(
4410 functools.partial(apply_func_weighted,
4411 weight_key=weight_key.get_string()),
4416 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4417 class Centroid(XYZ):
4418 r"""Proxy of C++ IMP::core::Centroid class."""
4420 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4422 def get_constraint(self):
4423 r"""get_constraint(Centroid self) -> Constraint"""
4424 return _IMP_core.Centroid_get_constraint(self)
4426 def __init__(self, *args):
4428 __init__(Centroid self) -> Centroid
4429 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4430 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4432 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4434 def show(self, *args):
4435 r"""show(Centroid self, _ostream out=std::cout)"""
4436 return _IMP_core.Centroid_show(self, *args)
4439 def setup_particle(*args):
4441 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4442 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4443 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4444 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4446 return _IMP_core.Centroid_setup_particle(*args)
4449 def get_is_setup(*args):
4451 get_is_setup(_ParticleAdaptor p) -> bool
4452 get_is_setup(Model m, ParticleIndex pi) -> bool
4454 return _IMP_core.Centroid_get_is_setup(*args)
4456 def add_attribute(self, *args):
4458 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4459 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4460 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4461 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4462 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4463 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4464 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4465 add_attribute(Centroid self, ObjectKey a0, Object a1)
4466 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4467 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4468 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4469 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4471 return _IMP_core.Centroid_add_attribute(self, *args)
4473 def get_value(self, *args):
4475 get_value(Centroid self, FloatKey a0) -> IMP::Float
4476 get_value(Centroid self, IntKey a0) -> IMP::Int
4477 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4478 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4479 get_value(Centroid self, StringKey a0) -> IMP::String
4480 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4481 get_value(Centroid self, ObjectKey a0) -> Object
4482 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4483 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4484 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4485 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4487 return _IMP_core.Centroid_get_value(self, *args)
4489 def set_value(self, *args):
4491 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4492 set_value(Centroid self, IntKey a0, IMP::Int a1)
4493 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4494 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4495 set_value(Centroid self, StringKey a0, IMP::String a1)
4496 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4497 set_value(Centroid self, ObjectKey a0, Object a1)
4498 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4499 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4500 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4501 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4503 return _IMP_core.Centroid_set_value(self, *args)
4505 def remove_attribute(self, *args):
4507 remove_attribute(Centroid self, FloatKey a0)
4508 remove_attribute(Centroid self, IntKey a0)
4509 remove_attribute(Centroid self, FloatsKey a0)
4510 remove_attribute(Centroid self, IntsKey a0)
4511 remove_attribute(Centroid self, StringKey a0)
4512 remove_attribute(Centroid self, ParticleIndexKey a0)
4513 remove_attribute(Centroid self, ObjectKey a0)
4514 remove_attribute(Centroid self, SparseFloatKey a0)
4515 remove_attribute(Centroid self, SparseIntKey a0)
4516 remove_attribute(Centroid self, SparseStringKey a0)
4517 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4519 return _IMP_core.Centroid_remove_attribute(self, *args)
4521 def has_attribute(self, *args):
4523 has_attribute(Centroid self, FloatKey a0) -> bool
4524 has_attribute(Centroid self, IntKey a0) -> bool
4525 has_attribute(Centroid self, FloatsKey a0) -> bool
4526 has_attribute(Centroid self, IntsKey a0) -> bool
4527 has_attribute(Centroid self, StringKey a0) -> bool
4528 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4529 has_attribute(Centroid self, ObjectKey a0) -> bool
4530 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4531 has_attribute(Centroid self, SparseIntKey a0) -> bool
4532 has_attribute(Centroid self, SparseStringKey a0) -> bool
4533 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4535 return _IMP_core.Centroid_has_attribute(self, *args)
4537 def get_derivative(self, a0):
4538 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4539 return _IMP_core.Centroid_get_derivative(self, a0)
4542 r"""get_name(Centroid self) -> std::string"""
4543 return _IMP_core.Centroid_get_name(self)
4545 def clear_caches(self):
4546 r"""clear_caches(Centroid self)"""
4547 return _IMP_core.Centroid_clear_caches(self)
4549 def set_name(self, a0):
4550 r"""set_name(Centroid self, std::string a0)"""
4551 return _IMP_core.Centroid_set_name(self, a0)
4554 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4555 return _IMP_core.Centroid_set_check_level(self, a0)
4557 def add_to_derivative(self, a0, a1, a2):
4558 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4559 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4561 def set_is_optimized(self, a0, a1):
4562 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4563 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4565 def get_is_optimized(self, a0):
4566 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4567 return _IMP_core.Centroid_get_is_optimized(self, a0)
4570 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4571 return _IMP_core.Centroid_get_check_level(self)
4573 def __eq__(self, *args):
4575 __eq__(Centroid self, Centroid o) -> bool
4576 __eq__(Centroid self, Particle d) -> bool
4578 return _IMP_core.Centroid___eq__(self, *args)
4580 def __ne__(self, *args):
4582 __ne__(Centroid self, Centroid o) -> bool
4583 __ne__(Centroid self, Particle d) -> bool
4585 return _IMP_core.Centroid___ne__(self, *args)
4587 def __le__(self, *args):
4589 __le__(Centroid self, Centroid o) -> bool
4590 __le__(Centroid self, Particle d) -> bool
4592 return _IMP_core.Centroid___le__(self, *args)
4594 def __lt__(self, *args):
4596 __lt__(Centroid self, Centroid o) -> bool
4597 __lt__(Centroid self, Particle d) -> bool
4599 return _IMP_core.Centroid___lt__(self, *args)
4601 def __ge__(self, *args):
4603 __ge__(Centroid self, Centroid o) -> bool
4604 __ge__(Centroid self, Particle d) -> bool
4606 return _IMP_core.Centroid___ge__(self, *args)
4608 def __gt__(self, *args):
4610 __gt__(Centroid self, Centroid o) -> bool
4611 __gt__(Centroid self, Particle d) -> bool
4613 return _IMP_core.Centroid___gt__(self, *args)
4616 r"""__hash__(Centroid self) -> std::size_t"""
4617 return _IMP_core.Centroid___hash__(self)
4620 r"""__str__(Centroid self) -> std::string"""
4621 return _IMP_core.Centroid___str__(self)
4624 r"""__repr__(Centroid self) -> std::string"""
4625 return _IMP_core.Centroid___repr__(self)
4627 def _get_as_binary(self):
4628 r"""_get_as_binary(Centroid self) -> PyObject *"""
4629 return _IMP_core.Centroid__get_as_binary(self)
4631 def _set_from_binary(self, p):
4632 r"""_set_from_binary(Centroid self, PyObject * p)"""
4633 return _IMP_core.Centroid__set_from_binary(self, p)
4635 def __getstate__(self):
4636 p = self._get_as_binary()
4637 if len(self.__dict__) > 1:
4638 d = self.__dict__.copy()
4643 def __setstate__(self, p):
4644 if not hasattr(self,
'this'):
4646 if isinstance(p, tuple):
4648 self.__dict__.update(d)
4649 return self._set_from_binary(p)
4651 __swig_destroy__ = _IMP_core.delete_Centroid
4654 _IMP_core.Centroid_swigregister(Centroid)
4656 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4658 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4660 def __init__(self, *args):
4662 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4663 __init__(ChecksScoreState self) -> ChecksScoreState
4665 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4667 def get_number_of_checked(self):
4668 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4669 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4671 def do_before_evaluate(self):
4672 r"""do_before_evaluate(ChecksScoreState self)"""
4673 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4675 def do_after_evaluate(self, da):
4676 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4677 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4679 def do_get_outputs(self):
4680 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4681 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4683 def do_get_inputs(self):
4684 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4685 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4687 def get_version_info(self):
4688 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4689 return _IMP_core.ChecksScoreState_get_version_info(self)
4690 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4693 r"""__str__(ChecksScoreState self) -> std::string"""
4694 return _IMP_core.ChecksScoreState___str__(self)
4697 r"""__repr__(ChecksScoreState self) -> std::string"""
4698 return _IMP_core.ChecksScoreState___repr__(self)
4702 return _object_cast_to_ChecksScoreState(o)
4705 def _get_as_binary(self):
4706 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4707 return _IMP_core.ChecksScoreState__get_as_binary(self)
4709 def _set_from_binary(self, p):
4710 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4711 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4713 def __getstate__(self):
4714 p = self._get_as_binary()
4715 if len(self.__dict__) > 1:
4716 d = self.__dict__.copy()
4721 def __setstate__(self, p):
4722 if not hasattr(self,
'this'):
4724 if isinstance(p, tuple):
4726 self.__dict__.update(d)
4727 return self._set_from_binary(p)
4731 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4733 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4735 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4737 def __init__(self, tr):
4738 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4739 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4741 def do_get_inputs(self, m, pis):
4742 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4743 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4745 def get_version_info(self):
4746 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4747 return _IMP_core.ChildrenRefiner_get_version_info(self)
4748 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4751 r"""__str__(ChildrenRefiner self) -> std::string"""
4752 return _IMP_core.ChildrenRefiner___str__(self)
4755 r"""__repr__(ChildrenRefiner self) -> std::string"""
4756 return _IMP_core.ChildrenRefiner___repr__(self)
4760 return _object_cast_to_ChildrenRefiner(o)
4764 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4766 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4768 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4770 def __init__(self, values, minrange, spacing):
4771 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4772 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4774 def get_version_info(self):
4775 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4776 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4777 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4779 def do_show(self, out):
4780 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4781 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4783 def get_minrange(self):
4784 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4785 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4787 def get_spacing(self):
4788 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4789 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4791 def get_values(self):
4792 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4793 return _IMP_core.ClosedCubicSpline_get_values(self)
4795 def get_second_derivatives(self):
4796 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4797 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4800 r"""__str__(ClosedCubicSpline self) -> std::string"""
4801 return _IMP_core.ClosedCubicSpline___str__(self)
4804 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4805 return _IMP_core.ClosedCubicSpline___repr__(self)
4809 return _object_cast_to_ClosedCubicSpline(o)
4813 import jax.numpy
as jnp
4814 from IMP.core._jax_util
import _spline
4815 def score(feature, minrange, spacing, values, second_derivs):
4817 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4819 highbin = jnp.remainder(lowbin + 1, len(values))
4820 return _spline(feature, minrange, lowbin, highbin, spacing,
4821 values, second_derivs)
4822 return functools.partial(
4823 score, minrange=self.get_minrange(),
4824 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4825 second_derivs=jnp.asarray(self.get_second_derivatives()))
4829 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4831 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4835 def __init__(self, f, r, k=1):
4836 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4837 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4839 def get_close_pairs(self, pp):
4840 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4841 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4843 def create_current_decomposition(self, m, vt):
4844 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4845 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4847 def do_get_inputs(self, m, pis):
4848 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4849 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4851 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4852 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"""
4853 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4855 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4856 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"""
4857 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4859 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4860 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"""
4861 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4863 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4864 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"""
4865 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4867 def get_version_info(self):
4868 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4869 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4870 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4873 r"""__str__(KClosePairsPairScore self) -> std::string"""
4874 return _IMP_core.KClosePairsPairScore___str__(self)
4877 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4878 return _IMP_core.KClosePairsPairScore___repr__(self)
4882 return _object_cast_to_KClosePairsPairScore(o)
4886 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4888 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4892 def __init__(self, f, r, max_distance):
4893 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4894 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4896 def get_close_pairs(self, pp):
4897 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4898 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4900 def create_current_decomposition(self, m, vt):
4901 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4902 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4904 def do_get_inputs(self, m, pis):
4905 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4906 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4908 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4909 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"""
4910 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4912 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4913 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"""
4914 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4916 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4917 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"""
4918 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4920 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4921 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"""
4922 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4924 def get_version_info(self):
4925 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4926 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4927 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4930 r"""__str__(ClosePairsPairScore self) -> std::string"""
4931 return _IMP_core.ClosePairsPairScore___str__(self)
4934 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4935 return _IMP_core.ClosePairsPairScore___repr__(self)
4939 return _object_cast_to_ClosePairsPairScore(o)
4943 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4945 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4949 def __init__(self, *args):
4951 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4952 __init__(ConjugateGradients self) -> ConjugateGradients
4954 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4956 def set_gradient_threshold(self, t):
4957 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4958 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4960 def set_max_change(self, t):
4961 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4962 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4964 def do_optimize(self, max_steps):
4965 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4966 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4968 def get_version_info(self):
4969 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4970 return _IMP_core.ConjugateGradients_get_version_info(self)
4971 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4974 r"""__str__(ConjugateGradients self) -> std::string"""
4975 return _IMP_core.ConjugateGradients___str__(self)
4978 r"""__repr__(ConjugateGradients self) -> std::string"""
4979 return _IMP_core.ConjugateGradients___repr__(self)
4983 return _object_cast_to_ConjugateGradients(o)
4986 def _get_as_binary(self):
4987 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4988 return _IMP_core.ConjugateGradients__get_as_binary(self)
4990 def _set_from_binary(self, p):
4991 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4992 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4994 def __getstate__(self):
4995 p = self._get_as_binary()
4996 if len(self.__dict__) > 1:
4997 d = self.__dict__.copy()
5002 def __setstate__(self, p):
5003 if not hasattr(self,
'this'):
5005 if isinstance(p, tuple):
5007 self.__dict__.update(d)
5008 return self._set_from_binary(p)
5012 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5014 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5018 def __init__(self, ps, sc):
5019 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5020 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5022 def get_connected_index_pairs(self):
5023 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5024 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5026 def get_pair_score(self):
5027 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5028 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5030 def do_create_current_decomposition(self):
5031 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5032 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5034 def do_get_inputs(self):
5035 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5036 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5038 def get_version_info(self):
5039 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5040 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5041 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5044 r"""__str__(ConnectivityRestraint self) -> std::string"""
5045 return _IMP_core.ConnectivityRestraint___str__(self)
5048 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5049 return _IMP_core.ConnectivityRestraint___repr__(self)
5053 return _object_cast_to_ConnectivityRestraint(o)
5057 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5059 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5063 def __init__(self, *args):
5065 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5066 __init__(ConstantRestraint self) -> ConstantRestraint
5068 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5070 def do_get_inputs(self):
5071 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5072 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5074 def get_version_info(self):
5075 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5076 return _IMP_core.ConstantRestraint_get_version_info(self)
5077 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5080 r"""__str__(ConstantRestraint self) -> std::string"""
5081 return _IMP_core.ConstantRestraint___str__(self)
5084 r"""__repr__(ConstantRestraint self) -> std::string"""
5085 return _IMP_core.ConstantRestraint___repr__(self)
5089 return _object_cast_to_ConstantRestraint(o)
5092 def _get_as_binary(self):
5093 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5094 return _IMP_core.ConstantRestraint__get_as_binary(self)
5096 def _set_from_binary(self, p):
5097 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5098 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5100 def __getstate__(self):
5101 p = self._get_as_binary()
5102 if len(self.__dict__) > 1:
5103 d = self.__dict__.copy()
5108 def __setstate__(self, p):
5109 if not hasattr(self,
'this'):
5111 if isinstance(p, tuple):
5113 self.__dict__.update(d)
5114 return self._set_from_binary(p)
5118 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5120 r"""Proxy of C++ IMP::core::Cosine class."""
5122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5124 def __init__(self, *args):
5126 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5127 __init__(Cosine self) -> Cosine
5129 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5131 def get_force_constant(self):
5132 r"""get_force_constant(Cosine self) -> IMP::Float"""
5133 return _IMP_core.Cosine_get_force_constant(self)
5135 def get_periodicity(self):
5136 r"""get_periodicity(Cosine self) -> int"""
5137 return _IMP_core.Cosine_get_periodicity(self)
5139 def get_phase(self):
5140 r"""get_phase(Cosine self) -> IMP::Float"""
5141 return _IMP_core.Cosine_get_phase(self)
5143 def get_version_info(self):
5144 r"""get_version_info(Cosine self) -> VersionInfo"""
5145 return _IMP_core.Cosine_get_version_info(self)
5146 __swig_destroy__ = _IMP_core.delete_Cosine
5148 def do_show(self, out):
5149 r"""do_show(Cosine self, _ostream out)"""
5150 return _IMP_core.Cosine_do_show(self, out)
5153 r"""__str__(Cosine self) -> std::string"""
5154 return _IMP_core.Cosine___str__(self)
5157 r"""__repr__(Cosine self) -> std::string"""
5158 return _IMP_core.Cosine___repr__(self)
5162 return _object_cast_to_Cosine(o)
5165 def _get_as_binary(self):
5166 r"""_get_as_binary(Cosine self) -> PyObject *"""
5167 return _IMP_core.Cosine__get_as_binary(self)
5169 def _set_from_binary(self, p):
5170 r"""_set_from_binary(Cosine self, PyObject * p)"""
5171 return _IMP_core.Cosine__set_from_binary(self, p)
5173 def __getstate__(self):
5174 p = self._get_as_binary()
5175 if len(self.__dict__) > 1:
5176 d = self.__dict__.copy()
5181 def __setstate__(self, p):
5182 if not hasattr(self,
'this'):
5184 if isinstance(p, tuple):
5186 self.__dict__.update(d)
5187 return self._set_from_binary(p)
5191 import jax.numpy
as jnp
5192 def score(val, k, period, phase):
5193 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5194 return functools.partial(score, k=self.get_force_constant(),
5195 period=self.get_periodicity(),
5196 phase=self.get_phase())
5200 _IMP_core.Cosine_swigregister(Cosine)
5202 r"""Proxy of C++ IMP::core::CoverRefined class."""
5204 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5206 def __init__(self, ref, slack=0):
5207 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5208 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5210 def set_slack(self, slack):
5211 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5212 return _IMP_core.CoverRefined_set_slack(self, slack)
5214 def do_get_inputs(self, m, pis):
5215 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5216 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5218 def do_get_outputs(self, m, pis):
5219 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5220 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5222 def get_version_info(self):
5223 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5224 return _IMP_core.CoverRefined_get_version_info(self)
5225 __swig_destroy__ = _IMP_core.delete_CoverRefined
5228 r"""__str__(CoverRefined self) -> std::string"""
5229 return _IMP_core.CoverRefined___str__(self)
5232 r"""__repr__(CoverRefined self) -> std::string"""
5233 return _IMP_core.CoverRefined___repr__(self)
5237 return _object_cast_to_CoverRefined(o)
5241 _IMP_core.CoverRefined_swigregister(CoverRefined)
5243 r"""Proxy of C++ IMP::core::Cover class."""
5245 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5247 def get_constraint(self):
5248 r"""get_constraint(Cover self) -> Constraint"""
5249 return _IMP_core.Cover_get_constraint(self)
5251 def __init__(self, *args):
5253 __init__(Cover self) -> Cover
5254 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5255 __init__(Cover self, _ParticleAdaptor d) -> Cover
5257 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5259 def show(self, *args):
5260 r"""show(Cover self, _ostream out=std::cout)"""
5261 return _IMP_core.Cover_show(self, *args)
5264 def setup_particle(*args):
5266 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5267 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5268 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5269 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5271 return _IMP_core.Cover_setup_particle(*args)
5274 def get_is_setup(*args):
5276 get_is_setup(_ParticleAdaptor p) -> bool
5277 get_is_setup(Model m, ParticleIndex pi) -> bool
5279 return _IMP_core.Cover_get_is_setup(*args)
5281 def add_attribute(self, *args):
5283 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5284 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5285 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5286 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5287 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5288 add_attribute(Cover self, StringKey a0, IMP::String a1)
5289 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5290 add_attribute(Cover self, ObjectKey a0, Object a1)
5291 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5292 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5293 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5294 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5296 return _IMP_core.Cover_add_attribute(self, *args)
5298 def get_value(self, *args):
5300 get_value(Cover self, FloatKey a0) -> IMP::Float
5301 get_value(Cover self, IntKey a0) -> IMP::Int
5302 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5303 get_value(Cover self, IntsKey a0) -> IMP::Ints
5304 get_value(Cover self, StringKey a0) -> IMP::String
5305 get_value(Cover self, ParticleIndexKey a0) -> Particle
5306 get_value(Cover self, ObjectKey a0) -> Object
5307 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5308 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5309 get_value(Cover self, SparseStringKey a0) -> IMP::String
5310 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5312 return _IMP_core.Cover_get_value(self, *args)
5314 def set_value(self, *args):
5316 set_value(Cover self, FloatKey a0, IMP::Float a1)
5317 set_value(Cover self, IntKey a0, IMP::Int a1)
5318 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5319 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5320 set_value(Cover self, StringKey a0, IMP::String a1)
5321 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5322 set_value(Cover self, ObjectKey a0, Object a1)
5323 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5324 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5325 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5326 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5328 return _IMP_core.Cover_set_value(self, *args)
5330 def remove_attribute(self, *args):
5332 remove_attribute(Cover self, FloatKey a0)
5333 remove_attribute(Cover self, IntKey a0)
5334 remove_attribute(Cover self, FloatsKey a0)
5335 remove_attribute(Cover self, IntsKey a0)
5336 remove_attribute(Cover self, StringKey a0)
5337 remove_attribute(Cover self, ParticleIndexKey a0)
5338 remove_attribute(Cover self, ObjectKey a0)
5339 remove_attribute(Cover self, SparseFloatKey a0)
5340 remove_attribute(Cover self, SparseIntKey a0)
5341 remove_attribute(Cover self, SparseStringKey a0)
5342 remove_attribute(Cover self, SparseParticleIndexKey a0)
5344 return _IMP_core.Cover_remove_attribute(self, *args)
5346 def has_attribute(self, *args):
5348 has_attribute(Cover self, FloatKey a0) -> bool
5349 has_attribute(Cover self, IntKey a0) -> bool
5350 has_attribute(Cover self, FloatsKey a0) -> bool
5351 has_attribute(Cover self, IntsKey a0) -> bool
5352 has_attribute(Cover self, StringKey a0) -> bool
5353 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5354 has_attribute(Cover self, ObjectKey a0) -> bool
5355 has_attribute(Cover self, SparseFloatKey a0) -> bool
5356 has_attribute(Cover self, SparseIntKey a0) -> bool
5357 has_attribute(Cover self, SparseStringKey a0) -> bool
5358 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5360 return _IMP_core.Cover_has_attribute(self, *args)
5362 def get_derivative(self, a0):
5363 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5364 return _IMP_core.Cover_get_derivative(self, a0)
5367 r"""get_name(Cover self) -> std::string"""
5368 return _IMP_core.Cover_get_name(self)
5370 def clear_caches(self):
5371 r"""clear_caches(Cover self)"""
5372 return _IMP_core.Cover_clear_caches(self)
5374 def set_name(self, a0):
5375 r"""set_name(Cover self, std::string a0)"""
5376 return _IMP_core.Cover_set_name(self, a0)
5379 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5380 return _IMP_core.Cover_set_check_level(self, a0)
5382 def add_to_derivative(self, a0, a1, a2):
5383 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5384 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5386 def set_is_optimized(self, a0, a1):
5387 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5388 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5390 def get_is_optimized(self, a0):
5391 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5392 return _IMP_core.Cover_get_is_optimized(self, a0)
5395 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5396 return _IMP_core.Cover_get_check_level(self)
5398 def __eq__(self, *args):
5400 __eq__(Cover self, Cover o) -> bool
5401 __eq__(Cover self, Particle d) -> bool
5403 return _IMP_core.Cover___eq__(self, *args)
5405 def __ne__(self, *args):
5407 __ne__(Cover self, Cover o) -> bool
5408 __ne__(Cover self, Particle d) -> bool
5410 return _IMP_core.Cover___ne__(self, *args)
5412 def __le__(self, *args):
5414 __le__(Cover self, Cover o) -> bool
5415 __le__(Cover self, Particle d) -> bool
5417 return _IMP_core.Cover___le__(self, *args)
5419 def __lt__(self, *args):
5421 __lt__(Cover self, Cover o) -> bool
5422 __lt__(Cover self, Particle d) -> bool
5424 return _IMP_core.Cover___lt__(self, *args)
5426 def __ge__(self, *args):
5428 __ge__(Cover self, Cover o) -> bool
5429 __ge__(Cover self, Particle d) -> bool
5431 return _IMP_core.Cover___ge__(self, *args)
5433 def __gt__(self, *args):
5435 __gt__(Cover self, Cover o) -> bool
5436 __gt__(Cover self, Particle d) -> bool
5438 return _IMP_core.Cover___gt__(self, *args)
5441 r"""__hash__(Cover self) -> std::size_t"""
5442 return _IMP_core.Cover___hash__(self)
5445 r"""__str__(Cover self) -> std::string"""
5446 return _IMP_core.Cover___str__(self)
5449 r"""__repr__(Cover self) -> std::string"""
5450 return _IMP_core.Cover___repr__(self)
5452 def _get_as_binary(self):
5453 r"""_get_as_binary(Cover self) -> PyObject *"""
5454 return _IMP_core.Cover__get_as_binary(self)
5456 def _set_from_binary(self, p):
5457 r"""_set_from_binary(Cover self, PyObject * p)"""
5458 return _IMP_core.Cover__set_from_binary(self, p)
5460 def __getstate__(self):
5461 p = self._get_as_binary()
5462 if len(self.__dict__) > 1:
5463 d = self.__dict__.copy()
5468 def __setstate__(self, p):
5469 if not hasattr(self,
'this'):
5471 if isinstance(p, tuple):
5473 self.__dict__.update(d)
5474 return self._set_from_binary(p)
5476 __swig_destroy__ = _IMP_core.delete_Cover
5479 _IMP_core.Cover_swigregister(Cover)
5481 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5485 def __init__(self, *args):
5486 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5487 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5489 def do_get_inputs(self, m, pis):
5490 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5491 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5493 def do_get_outputs(self, m, pis):
5494 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5495 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5497 def get_version_info(self):
5498 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5499 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5500 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5503 r"""__str__(DerivativesFromRefined self) -> std::string"""
5504 return _IMP_core.DerivativesFromRefined___str__(self)
5507 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5508 return _IMP_core.DerivativesFromRefined___repr__(self)
5512 return _object_cast_to_DerivativesFromRefined(o)
5516 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5518 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5522 def __init__(self, *args):
5524 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5525 __init__(DerivativesToRefined self) -> DerivativesToRefined
5527 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5529 def do_get_inputs(self, m, pis):
5530 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5531 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5533 def do_get_outputs(self, m, pis):
5534 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5535 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5537 def get_version_info(self):
5538 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5539 return _IMP_core.DerivativesToRefined_get_version_info(self)
5540 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5543 r"""__str__(DerivativesToRefined self) -> std::string"""
5544 return _IMP_core.DerivativesToRefined___str__(self)
5547 r"""__repr__(DerivativesToRefined self) -> std::string"""
5548 return _IMP_core.DerivativesToRefined___repr__(self)
5552 return _object_cast_to_DerivativesToRefined(o)
5555 def _get_as_binary(self):
5556 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5557 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5559 def _set_from_binary(self, p):
5560 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5561 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5563 def __getstate__(self):
5564 p = self._get_as_binary()
5565 if len(self.__dict__) > 1:
5566 d = self.__dict__.copy()
5571 def __setstate__(self, p):
5572 if not hasattr(self,
'this'):
5574 if isinstance(p, tuple):
5576 self.__dict__.update(d)
5577 return self._set_from_binary(p)
5581 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5583 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5587 def __init__(self, f, sc, diameter):
5588 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5589 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5591 def do_get_inputs(self):
5592 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5593 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5595 def get_version_info(self):
5596 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5597 return _IMP_core.DiameterRestraint_get_version_info(self)
5598 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5600 def do_create_decomposition(self):
5601 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5602 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5604 def do_create_current_decomposition(self):
5605 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5606 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5609 r"""__str__(DiameterRestraint self) -> std::string"""
5610 return _IMP_core.DiameterRestraint___str__(self)
5613 r"""__repr__(DiameterRestraint self) -> std::string"""
5614 return _IMP_core.DiameterRestraint___repr__(self)
5618 return _object_cast_to_DiameterRestraint(o)
5622 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5624 r"""Proxy of C++ IMP::core::Transform class."""
5626 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5628 def __init__(self, *args):
5630 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5631 __init__(Transform self) -> Transform
5633 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5635 def do_get_inputs(self, m, pis):
5636 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5637 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5639 def do_get_outputs(self, m, pis):
5640 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5641 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5643 def get_version_info(self):
5644 r"""get_version_info(Transform self) -> VersionInfo"""
5645 return _IMP_core.Transform_get_version_info(self)
5646 __swig_destroy__ = _IMP_core.delete_Transform
5649 r"""__str__(Transform self) -> std::string"""
5650 return _IMP_core.Transform___str__(self)
5653 r"""__repr__(Transform self) -> std::string"""
5654 return _IMP_core.Transform___repr__(self)
5658 return _object_cast_to_Transform(o)
5661 def _get_as_binary(self):
5662 r"""_get_as_binary(Transform self) -> PyObject *"""
5663 return _IMP_core.Transform__get_as_binary(self)
5665 def _set_from_binary(self, p):
5666 r"""_set_from_binary(Transform self, PyObject * p)"""
5667 return _IMP_core.Transform__set_from_binary(self, p)
5669 def __getstate__(self):
5670 p = self._get_as_binary()
5671 if len(self.__dict__) > 1:
5672 d = self.__dict__.copy()
5677 def __setstate__(self, p):
5678 if not hasattr(self,
'this'):
5680 if isinstance(p, tuple):
5682 self.__dict__.update(d)
5683 return self._set_from_binary(p)
5687 _IMP_core.Transform_swigregister(Transform)
5689 r"""Proxy of C++ IMP::core::Reference class."""
5691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5693 def __init__(self, *args):
5695 __init__(Reference self) -> Reference
5696 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5697 __init__(Reference self, _ParticleAdaptor d) -> Reference
5699 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5701 def show(self, *args):
5702 r"""show(Reference self, _ostream out=std::cout)"""
5703 return _IMP_core.Reference_show(self, *args)
5706 def setup_particle(*args):
5708 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5709 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5711 return _IMP_core.Reference_setup_particle(*args)
5713 def get_reference_particle(self):
5714 r"""get_reference_particle(Reference self) -> Particle"""
5715 return _IMP_core.Reference_get_reference_particle(self)
5718 def get_is_setup(*args):
5720 get_is_setup(_ParticleAdaptor p) -> bool
5721 get_is_setup(Model m, ParticleIndex pi) -> bool
5723 return _IMP_core.Reference_get_is_setup(*args)
5726 def get_reference_key():
5727 r"""get_reference_key() -> ParticleIndexKey"""
5728 return _IMP_core.Reference_get_reference_key()
5730 def add_attribute(self, *args):
5732 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5733 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5734 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5735 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5736 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5737 add_attribute(Reference self, StringKey a0, IMP::String a1)
5738 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5739 add_attribute(Reference self, ObjectKey a0, Object a1)
5740 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5741 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5742 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5743 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5745 return _IMP_core.Reference_add_attribute(self, *args)
5747 def get_value(self, *args):
5749 get_value(Reference self, FloatKey a0) -> IMP::Float
5750 get_value(Reference self, IntKey a0) -> IMP::Int
5751 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5752 get_value(Reference self, IntsKey a0) -> IMP::Ints
5753 get_value(Reference self, StringKey a0) -> IMP::String
5754 get_value(Reference self, ParticleIndexKey a0) -> Particle
5755 get_value(Reference self, ObjectKey a0) -> Object
5756 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5757 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5758 get_value(Reference self, SparseStringKey a0) -> IMP::String
5759 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5761 return _IMP_core.Reference_get_value(self, *args)
5763 def set_value(self, *args):
5765 set_value(Reference self, FloatKey a0, IMP::Float a1)
5766 set_value(Reference self, IntKey a0, IMP::Int a1)
5767 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5768 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5769 set_value(Reference self, StringKey a0, IMP::String a1)
5770 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5771 set_value(Reference self, ObjectKey a0, Object a1)
5772 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5773 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5774 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5775 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5777 return _IMP_core.Reference_set_value(self, *args)
5779 def remove_attribute(self, *args):
5781 remove_attribute(Reference self, FloatKey a0)
5782 remove_attribute(Reference self, IntKey a0)
5783 remove_attribute(Reference self, FloatsKey a0)
5784 remove_attribute(Reference self, IntsKey a0)
5785 remove_attribute(Reference self, StringKey a0)
5786 remove_attribute(Reference self, ParticleIndexKey a0)
5787 remove_attribute(Reference self, ObjectKey a0)
5788 remove_attribute(Reference self, SparseFloatKey a0)
5789 remove_attribute(Reference self, SparseIntKey a0)
5790 remove_attribute(Reference self, SparseStringKey a0)
5791 remove_attribute(Reference self, SparseParticleIndexKey a0)
5793 return _IMP_core.Reference_remove_attribute(self, *args)
5795 def has_attribute(self, *args):
5797 has_attribute(Reference self, FloatKey a0) -> bool
5798 has_attribute(Reference self, IntKey a0) -> bool
5799 has_attribute(Reference self, FloatsKey a0) -> bool
5800 has_attribute(Reference self, IntsKey a0) -> bool
5801 has_attribute(Reference self, StringKey a0) -> bool
5802 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5803 has_attribute(Reference self, ObjectKey a0) -> bool
5804 has_attribute(Reference self, SparseFloatKey a0) -> bool
5805 has_attribute(Reference self, SparseIntKey a0) -> bool
5806 has_attribute(Reference self, SparseStringKey a0) -> bool
5807 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5809 return _IMP_core.Reference_has_attribute(self, *args)
5811 def get_derivative(self, a0):
5812 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5813 return _IMP_core.Reference_get_derivative(self, a0)
5816 r"""get_name(Reference self) -> std::string"""
5817 return _IMP_core.Reference_get_name(self)
5819 def clear_caches(self):
5820 r"""clear_caches(Reference self)"""
5821 return _IMP_core.Reference_clear_caches(self)
5823 def set_name(self, a0):
5824 r"""set_name(Reference self, std::string a0)"""
5825 return _IMP_core.Reference_set_name(self, a0)
5828 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5829 return _IMP_core.Reference_set_check_level(self, a0)
5831 def add_to_derivative(self, a0, a1, a2):
5832 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5833 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5835 def set_is_optimized(self, a0, a1):
5836 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5837 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5839 def get_is_optimized(self, a0):
5840 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5841 return _IMP_core.Reference_get_is_optimized(self, a0)
5844 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5845 return _IMP_core.Reference_get_check_level(self)
5847 def __eq__(self, *args):
5849 __eq__(Reference self, Reference o) -> bool
5850 __eq__(Reference self, Particle d) -> bool
5852 return _IMP_core.Reference___eq__(self, *args)
5854 def __ne__(self, *args):
5856 __ne__(Reference self, Reference o) -> bool
5857 __ne__(Reference self, Particle d) -> bool
5859 return _IMP_core.Reference___ne__(self, *args)
5861 def __le__(self, *args):
5863 __le__(Reference self, Reference o) -> bool
5864 __le__(Reference self, Particle d) -> bool
5866 return _IMP_core.Reference___le__(self, *args)
5868 def __lt__(self, *args):
5870 __lt__(Reference self, Reference o) -> bool
5871 __lt__(Reference self, Particle d) -> bool
5873 return _IMP_core.Reference___lt__(self, *args)
5875 def __ge__(self, *args):
5877 __ge__(Reference self, Reference o) -> bool
5878 __ge__(Reference self, Particle d) -> bool
5880 return _IMP_core.Reference___ge__(self, *args)
5882 def __gt__(self, *args):
5884 __gt__(Reference self, Reference o) -> bool
5885 __gt__(Reference self, Particle d) -> bool
5887 return _IMP_core.Reference___gt__(self, *args)
5890 r"""__hash__(Reference self) -> std::size_t"""
5891 return _IMP_core.Reference___hash__(self)
5894 r"""__str__(Reference self) -> std::string"""
5895 return _IMP_core.Reference___str__(self)
5898 r"""__repr__(Reference self) -> std::string"""
5899 return _IMP_core.Reference___repr__(self)
5901 def _get_as_binary(self):
5902 r"""_get_as_binary(Reference self) -> PyObject *"""
5903 return _IMP_core.Reference__get_as_binary(self)
5905 def _set_from_binary(self, p):
5906 r"""_set_from_binary(Reference self, PyObject * p)"""
5907 return _IMP_core.Reference__set_from_binary(self, p)
5909 def __getstate__(self):
5910 p = self._get_as_binary()
5911 if len(self.__dict__) > 1:
5912 d = self.__dict__.copy()
5917 def __setstate__(self, p):
5918 if not hasattr(self,
'this'):
5920 if isinstance(p, tuple):
5922 self.__dict__.update(d)
5923 return self._set_from_binary(p)
5925 __swig_destroy__ = _IMP_core.delete_Reference
5928 _IMP_core.Reference_swigregister(Reference)
5930 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5932 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5934 def __init__(self, t, r):
5935 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5936 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5938 def do_get_inputs(self, m, pis):
5939 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5940 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5942 def do_get_outputs(self, m, pis):
5943 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5944 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5946 def get_version_info(self):
5947 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5948 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5949 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5952 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5953 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5956 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5957 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5961 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5965 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5967 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5971 def __init__(self, *args):
5973 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5974 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5976 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5978 def get_transformation(self):
5979 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5980 return _IMP_core.TransformationSymmetry_get_transformation(self)
5982 def set_transformation(self, t):
5983 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5984 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5986 def do_get_inputs(self, m, pis):
5987 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5988 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5990 def do_get_outputs(self, m, pis):
5991 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5992 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5994 def get_version_info(self):
5995 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5996 return _IMP_core.TransformationSymmetry_get_version_info(self)
5997 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6000 r"""__str__(TransformationSymmetry self) -> std::string"""
6001 return _IMP_core.TransformationSymmetry___str__(self)
6004 r"""__repr__(TransformationSymmetry self) -> std::string"""
6005 return _IMP_core.TransformationSymmetry___repr__(self)
6009 return _object_cast_to_TransformationSymmetry(o)
6013 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6014 class TransformationSymmetryMover(MonteCarloMover):
6015 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6017 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6019 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6020 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6021 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6023 def set_maximum_translation(self, mt):
6024 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6025 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6027 def set_maximum_rotation(self, mr):
6028 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6029 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6031 def get_maximum_translation(self):
6032 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6033 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6035 def get_maximum_rotation(self):
6036 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6037 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6039 def get_version_info(self):
6040 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6041 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6042 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6045 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6046 return _IMP_core.TransformationSymmetryMover___str__(self)
6049 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6050 return _IMP_core.TransformationSymmetryMover___repr__(self)
6054 return _object_cast_to_TransformationSymmetryMover(o)
6058 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6060 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6062 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6064 def __init__(self, m, score_func, p1, p2, p3, p4):
6065 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6066 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6068 def do_get_inputs(self):
6069 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6070 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6072 def get_version_info(self):
6073 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6074 return _IMP_core.DihedralRestraint_get_version_info(self)
6075 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6078 r"""__str__(DihedralRestraint self) -> std::string"""
6079 return _IMP_core.DihedralRestraint___str__(self)
6082 r"""__repr__(DihedralRestraint self) -> std::string"""
6083 return _IMP_core.DihedralRestraint___repr__(self)
6087 return _object_cast_to_DihedralRestraint(o)
6091 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6093 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6095 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6097 def __init__(self, *args):
6099 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6100 __init__(DistancePairScore self) -> DistancePairScore
6102 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6104 def do_get_inputs(self, m, pis):
6105 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6106 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6108 def get_score_functor(self, *args):
6110 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6111 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6113 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6115 def get_version_info(self):
6116 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6117 return _IMP_core.DistancePairScore_get_version_info(self)
6118 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6121 r"""__str__(DistancePairScore self) -> std::string"""
6122 return _IMP_core.DistancePairScore___str__(self)
6125 r"""__repr__(DistancePairScore self) -> std::string"""
6126 return _IMP_core.DistancePairScore___repr__(self)
6130 return _object_cast_to_DistancePairScore(o)
6133 def _get_as_binary(self):
6134 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6135 return _IMP_core.DistancePairScore__get_as_binary(self)
6137 def _set_from_binary(self, p):
6138 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6139 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6141 def __getstate__(self):
6142 p = self._get_as_binary()
6143 if len(self.__dict__) > 1:
6144 d = self.__dict__.copy()
6149 def __setstate__(self, p):
6150 if not hasattr(self,
'this'):
6152 if isinstance(p, tuple):
6154 self.__dict__.update(d)
6155 return self._set_from_binary(p)
6158 def _get_jax(self, m, indexes):
6159 import jax.numpy
as jnp
6160 def jax_score(jm, uf):
6161 xyzs = jm[
'xyz'][indexes]
6162 diff = xyzs[:,0] - xyzs[:,1]
6163 drs = jnp.linalg.norm(diff, axis=1)
6165 sfnc = self.get_score_functor()
6166 uf = sfnc.get_unary_function().get_derived_object()
6167 f = functools.partial(jax_score, uf=uf._get_jax())
6168 return self._wrap_jax(m, f)
6172 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6174 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6178 def __init__(self, *args):
6180 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6181 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6183 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6185 def do_get_inputs(self, m, pis):
6186 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6187 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6189 def get_score_functor(self, *args):
6191 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6192 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6194 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6197 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6198 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6201 r"""get_k(HarmonicDistancePairScore self) -> double"""
6202 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6204 def get_version_info(self):
6205 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6206 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6207 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6210 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6211 return _IMP_core.HarmonicDistancePairScore___str__(self)
6214 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6215 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6219 return _object_cast_to_HarmonicDistancePairScore(o)
6222 def _get_as_binary(self):
6223 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6224 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6226 def _set_from_binary(self, p):
6227 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6228 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6230 def __getstate__(self):
6231 p = self._get_as_binary()
6232 if len(self.__dict__) > 1:
6233 d = self.__dict__.copy()
6238 def __setstate__(self, p):
6239 if not hasattr(self,
'this'):
6241 if isinstance(p, tuple):
6243 self.__dict__.update(d)
6244 return self._set_from_binary(p)
6247 def _get_jax(self, m, indexes):
6248 import jax.numpy
as jnp
6249 def jax_harmonic_distance_pair_score(jm, d, k):
6250 xyzs = jm[
'xyz'][indexes]
6251 diff = xyzs[:,0] - xyzs[:,1]
6252 drs = jnp.linalg.norm(diff, axis=1)
6253 return 0.5 * k * (d - drs)**2
6254 f = functools.partial(jax_harmonic_distance_pair_score,
6255 d=self.get_x0(), k=self.get_k())
6256 return self._wrap_jax(m, f)
6260 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6262 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6264 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6266 def __init__(self, *args):
6268 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6269 __init__(DistanceRestraint self) -> DistanceRestraint
6271 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6273 def get_score_object(self):
6274 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6275 return _IMP_core.DistanceRestraint_get_score_object(self)
6278 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6279 return _IMP_core.DistanceRestraint_get_index(self)
6281 def get_version_info(self):
6282 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6283 return _IMP_core.DistanceRestraint_get_version_info(self)
6284 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6287 r"""__str__(DistanceRestraint self) -> std::string"""
6288 return _IMP_core.DistanceRestraint___str__(self)
6291 r"""__repr__(DistanceRestraint self) -> std::string"""
6292 return _IMP_core.DistanceRestraint___repr__(self)
6296 return _object_cast_to_DistanceRestraint(o)
6299 def _get_as_binary(self):
6300 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6301 return _IMP_core.DistanceRestraint__get_as_binary(self)
6303 def _set_from_binary(self, p):
6304 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6305 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6307 def __getstate__(self):
6308 p = self._get_as_binary()
6309 if len(self.__dict__) > 1:
6310 d = self.__dict__.copy()
6315 def __setstate__(self, p):
6316 if not hasattr(self,
'this'):
6318 if isinstance(p, tuple):
6320 self.__dict__.update(d)
6321 return self._set_from_binary(p)
6325 import jax.numpy
as jnp
6326 ps = self.get_score_object()
6327 indexes = jnp.array([self.get_index()])
6328 ji = ps._get_jax(self.get_model(), indexes)
6330 return jnp.sum(ji.score_func(jm))
6331 return self._wrap_jax(score)
6335 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6337 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6341 def __init__(self, f, pt):
6342 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6343 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6345 def do_get_inputs(self, m, pis):
6346 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6347 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6349 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6350 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"""
6351 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6353 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6354 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"""
6355 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6357 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6358 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"""
6359 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6361 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6362 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"""
6363 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6365 def get_version_info(self):
6366 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6367 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6368 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6371 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6372 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6375 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6376 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6380 return _object_cast_to_SphereDistanceToSingletonScore(o)
6384 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6386 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6388 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6390 def __init__(self, *args):
6391 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6392 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6394 def do_get_inputs(self):
6395 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6396 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6398 def get_version_info(self):
6399 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6400 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6401 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6403 def do_create_decomposition(self):
6404 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6405 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6407 def do_create_current_decomposition(self):
6408 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6409 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6412 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6413 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6414 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)
6415 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6416 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6417 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6419 def remove_pair_filter(self, d):
6420 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6421 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6423 def _python_index_pair_filter(self, d, start, stop):
6424 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6425 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6427 def remove_pair_filters(self, d):
6428 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6429 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6431 def set_pair_filters(self, ps):
6432 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6433 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6435 def set_pair_filters_order(self, objs):
6436 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6437 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6439 def add_pair_filter(self, obj):
6440 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6441 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6443 def add_pair_filters(self, objs):
6444 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6445 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6447 def clear_pair_filters(self):
6448 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6449 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6451 def get_number_of_pair_filters(self):
6452 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6453 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6455 def get_has_pair_filters(self):
6456 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6457 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6459 def get_pair_filter(self, i):
6460 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6461 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6463 def get_pair_filters(self):
6464 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6465 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6467 def erase_pair_filter(self, i):
6468 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6469 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6471 def reserve_pair_filters(self, sz):
6472 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6473 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6476 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6477 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6480 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6481 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6485 return _object_cast_to_ExcludedVolumeRestraint(o)
6489 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6491 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6495 def __init__(self, *args):
6497 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6498 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6499 __init__(FixedRefiner self) -> FixedRefiner
6501 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6503 def do_get_inputs(self, m, pis):
6504 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6505 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6507 def get_version_info(self):
6508 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6509 return _IMP_core.FixedRefiner_get_version_info(self)
6510 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6513 r"""__str__(FixedRefiner self) -> std::string"""
6514 return _IMP_core.FixedRefiner___str__(self)
6517 r"""__repr__(FixedRefiner self) -> std::string"""
6518 return _IMP_core.FixedRefiner___repr__(self)
6522 return _object_cast_to_FixedRefiner(o)
6525 def _get_as_binary(self):
6526 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6527 return _IMP_core.FixedRefiner__get_as_binary(self)
6529 def _set_from_binary(self, p):
6530 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6531 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6533 def __getstate__(self):
6534 p = self._get_as_binary()
6535 if len(self.__dict__) > 1:
6536 d = self.__dict__.copy()
6541 def __setstate__(self, p):
6542 if not hasattr(self,
'this'):
6544 if isinstance(p, tuple):
6546 self.__dict__.update(d)
6547 return self._set_from_binary(p)
6551 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6552 class GridClosePairsFinder(ClosePairsFinder):
6553 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6558 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6559 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6561 def get_close_pairs(self, *args):
6563 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6564 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6565 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6566 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6568 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6570 def do_get_inputs(self, m, pis):
6571 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6572 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6574 def get_version_info(self):
6575 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6576 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6577 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6580 r"""__str__(GridClosePairsFinder self) -> std::string"""
6581 return _IMP_core.GridClosePairsFinder___str__(self)
6584 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6585 return _IMP_core.GridClosePairsFinder___repr__(self)
6589 return _object_cast_to_GridClosePairsFinder(o)
6592 def _get_as_binary(self):
6593 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6594 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6596 def _set_from_binary(self, p):
6597 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6598 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6600 def __getstate__(self):
6601 p = self._get_as_binary()
6602 if len(self.__dict__) > 1:
6603 d = self.__dict__.copy()
6608 def __setstate__(self, p):
6609 if not hasattr(self,
'this'):
6611 if isinstance(p, tuple):
6613 self.__dict__.update(d)
6614 return self._set_from_binary(p)
6618 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6620 r"""Proxy of C++ IMP::core::Harmonic class."""
6622 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6624 def __init__(self, *args):
6626 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6627 __init__(Harmonic self) -> Harmonic
6629 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6631 def get_version_info(self):
6632 r"""get_version_info(Harmonic self) -> VersionInfo"""
6633 return _IMP_core.Harmonic_get_version_info(self)
6634 __swig_destroy__ = _IMP_core.delete_Harmonic
6637 r"""get_mean(Harmonic self) -> IMP::Float"""
6638 return _IMP_core.Harmonic_get_mean(self)
6641 r"""get_k(Harmonic self) -> IMP::Float"""
6642 return _IMP_core.Harmonic_get_k(self)
6644 def set_mean(self, mean):
6645 r"""set_mean(Harmonic self, IMP::Float mean)"""
6646 return _IMP_core.Harmonic_set_mean(self, mean)
6649 r"""set_k(Harmonic self, IMP::Float k)"""
6650 return _IMP_core.Harmonic_set_k(self, k)
6653 def get_k_from_standard_deviation(sd, t=297.15):
6654 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6655 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6658 r"""__str__(Harmonic self) -> std::string"""
6659 return _IMP_core.Harmonic___str__(self)
6662 r"""__repr__(Harmonic self) -> std::string"""
6663 return _IMP_core.Harmonic___repr__(self)
6667 return _object_cast_to_Harmonic(o)
6670 def _get_as_binary(self):
6671 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6672 return _IMP_core.Harmonic__get_as_binary(self)
6674 def _set_from_binary(self, p):
6675 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6676 return _IMP_core.Harmonic__set_from_binary(self, p)
6678 def __getstate__(self):
6679 p = self._get_as_binary()
6680 if len(self.__dict__) > 1:
6681 d = self.__dict__.copy()
6686 def __setstate__(self, p):
6687 if not hasattr(self,
'this'):
6689 if isinstance(p, tuple):
6691 self.__dict__.update(d)
6692 return self._set_from_binary(p)
6696 def score(val, mean, k):
6697 return 0.5 * k * (mean - val) ** 2
6698 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6702 _IMP_core.Harmonic_swigregister(Harmonic)
6704 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6708 def __init__(self, well, k):
6709 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6710 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6713 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6714 return _IMP_core.HarmonicWell_get_well(self)
6717 r"""get_k(HarmonicWell self) -> double"""
6718 return _IMP_core.HarmonicWell_get_k(self)
6720 def get_version_info(self):
6721 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6722 return _IMP_core.HarmonicWell_get_version_info(self)
6723 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6726 r"""__str__(HarmonicWell self) -> std::string"""
6727 return _IMP_core.HarmonicWell___str__(self)
6730 r"""__repr__(HarmonicWell self) -> std::string"""
6731 return _IMP_core.HarmonicWell___repr__(self)
6735 return _object_cast_to_HarmonicWell(o)
6739 import jax.numpy
as jnp
6740 def score(val, lb, ub, k):
6741 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6742 well = self.get_well()
6743 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6747 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6748 class HarmonicLowerBound(Harmonic):
6749 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6753 def __init__(self, *args):
6755 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6756 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6758 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6759 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6762 r"""__str__(HarmonicLowerBound self) -> std::string"""
6763 return _IMP_core.HarmonicLowerBound___str__(self)
6766 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6767 return _IMP_core.HarmonicLowerBound___repr__(self)
6771 return _object_cast_to_HarmonicLowerBound(o)
6774 def _get_as_binary(self):
6775 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6776 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6778 def _set_from_binary(self, p):
6779 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6780 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6782 def __getstate__(self):
6783 p = self._get_as_binary()
6784 if len(self.__dict__) > 1:
6785 d = self.__dict__.copy()
6790 def __setstate__(self, p):
6791 if not hasattr(self,
'this'):
6793 if isinstance(p, tuple):
6795 self.__dict__.update(d)
6796 return self._set_from_binary(p)
6801 def score(val, mean, k):
6802 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6803 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6807 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6808 class HarmonicUpperBound(Harmonic):
6809 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6813 def __init__(self, *args):
6815 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6816 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6818 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6819 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6822 r"""__str__(HarmonicUpperBound self) -> std::string"""
6823 return _IMP_core.HarmonicUpperBound___str__(self)
6826 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6827 return _IMP_core.HarmonicUpperBound___repr__(self)
6831 return _object_cast_to_HarmonicUpperBound(o)
6834 def _get_as_binary(self):
6835 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6836 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6838 def _set_from_binary(self, p):
6839 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6840 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6842 def __getstate__(self):
6843 p = self._get_as_binary()
6844 if len(self.__dict__) > 1:
6845 d = self.__dict__.copy()
6850 def __setstate__(self, p):
6851 if not hasattr(self,
'this'):
6853 if isinstance(p, tuple):
6855 self.__dict__.update(d)
6856 return self._set_from_binary(p)
6861 def score(val, mean, k):
6862 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6863 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6867 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6869 r"""Proxy of C++ IMP::core::WeightedSum class."""
6871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6873 def __init__(self, funcs, weights):
6874 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6875 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6877 def get_function_number(self):
6878 r"""get_function_number(WeightedSum self) -> unsigned int"""
6879 return _IMP_core.WeightedSum_get_function_number(self)
6881 def set_weights(self, weights):
6882 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6883 return _IMP_core.WeightedSum_set_weights(self, weights)
6885 def get_weights(self):
6886 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6887 return _IMP_core.WeightedSum_get_weights(self)
6889 def get_weight(self, i):
6890 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6891 return _IMP_core.WeightedSum_get_weight(self, i)
6893 def get_function(self, i):
6894 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6895 return _IMP_core.WeightedSum_get_function(self, i)
6897 def get_version_info(self):
6898 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6899 return _IMP_core.WeightedSum_get_version_info(self)
6900 __swig_destroy__ = _IMP_core.delete_WeightedSum
6903 r"""__str__(WeightedSum self) -> std::string"""
6904 return _IMP_core.WeightedSum___str__(self)
6907 r"""__repr__(WeightedSum self) -> std::string"""
6908 return _IMP_core.WeightedSum___repr__(self)
6912 return _object_cast_to_WeightedSum(o)
6916 import jax.numpy
as jnp
6917 def score(val, funcs, weights):
6918 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6919 nfunc = self.get_function_number()
6920 funcs = [self.get_function(i).get_derived_object()._get_jax()
6921 for i
in range(nfunc)]
6922 return functools.partial(score, funcs=funcs,
6923 weights=self.get_weights())
6927 _IMP_core.WeightedSum_swigregister(WeightedSum)
6929 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6931 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6933 def __init__(self, funcs, weights, denom=1.0):
6934 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6935 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6937 def get_function_number(self):
6938 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6939 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6941 def set_weights(self, weights):
6942 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6943 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6945 def get_weights(self):
6946 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6947 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6949 def get_weight(self, i):
6950 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6951 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6953 def get_function(self, i):
6954 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6955 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6957 def set_denominator(self, denom):
6958 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6959 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6961 def get_denominator(self):
6962 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6963 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6965 def get_version_info(self):
6966 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6967 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6968 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6971 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6972 return _IMP_core.WeightedSumOfExponential___str__(self)
6975 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6976 return _IMP_core.WeightedSumOfExponential___repr__(self)
6980 return _object_cast_to_WeightedSumOfExponential(o)
6984 import jax.numpy
as jnp
6985 def score(val, funcs, weights, denom):
6986 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6987 for (f, weight)
in zip(funcs, weights))
6988 return -jnp.log(exp_sum) * denom
6989 nfunc = self.get_function_number()
6990 funcs = [self.get_function(i).get_derived_object()._get_jax()
6991 for i
in range(nfunc)]
6992 return functools.partial(score, funcs=funcs,
6993 weights=self.get_weights(),
6994 denom=self.get_denominator())
6998 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7000 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7002 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7004 def __init__(self, m, ps, eps=0.1):
7005 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7006 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7008 def add_type(self, ps):
7009 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7010 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7012 def add_composite(self, *args):
7014 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7015 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7017 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7019 def get_connected_pairs(self):
7020 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7021 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7023 def get_pair_score(self):
7024 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7025 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7027 def do_create_current_decomposition(self):
7028 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7029 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7031 def do_get_inputs(self):
7032 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7033 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7035 def get_version_info(self):
7036 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7037 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7038 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7041 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7042 return _IMP_core.MSConnectivityRestraint___str__(self)
7045 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7046 return _IMP_core.MSConnectivityRestraint___repr__(self)
7050 return _object_cast_to_MSConnectivityRestraint(o)
7054 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7055 class HierarchyTraits(object):
7056 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7060 def __init__(self, *args):
7062 __init__(HierarchyTraits self) -> HierarchyTraits
7063 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7065 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7067 def get_children_key(self):
7068 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7069 return _IMP_core.HierarchyTraits_get_children_key(self)
7071 def get_parent_key(self):
7072 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7073 return _IMP_core.HierarchyTraits_get_parent_key(self)
7075 def __eq__(self, o):
7076 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7077 return _IMP_core.HierarchyTraits___eq__(self, o)
7079 def show(self, *args):
7080 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7081 return _IMP_core.HierarchyTraits_show(self, *args)
7084 r"""__str__(HierarchyTraits self) -> std::string"""
7085 return _IMP_core.HierarchyTraits___str__(self)
7088 r"""__repr__(HierarchyTraits self) -> std::string"""
7089 return _IMP_core.HierarchyTraits___repr__(self)
7090 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7093 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7095 r"""Proxy of C++ IMP::core::Hierarchy class."""
7097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7099 def get_decorator_traits(self):
7100 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7101 return _IMP_core.Hierarchy_get_decorator_traits(self)
7104 def get_default_decorator_traits():
7105 r"""get_default_decorator_traits() -> HierarchyTraits"""
7106 return _IMP_core.Hierarchy_get_default_decorator_traits()
7108 def __init__(self, *args):
7110 __init__(Hierarchy self) -> Hierarchy
7111 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7112 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7114 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7116 def show(self, *args):
7117 r"""show(Hierarchy self, _ostream out=std::cout)"""
7118 return _IMP_core.Hierarchy_show(self, *args)
7121 def setup_particle(*args):
7123 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7124 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7125 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7126 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7127 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7128 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7130 return _IMP_core.Hierarchy_setup_particle(*args)
7133 def get_is_setup(*args):
7135 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7136 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7138 return _IMP_core.Hierarchy_get_is_setup(*args)
7141 def get_changed_key():
7142 r"""get_changed_key() -> TriggerKey"""
7143 return _IMP_core.Hierarchy_get_changed_key()
7145 def get_parent(self):
7146 r"""get_parent(Hierarchy self) -> Hierarchy"""
7147 return _IMP_core.Hierarchy_get_parent(self)
7149 def get_number_of_children(self):
7150 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7151 return _IMP_core.Hierarchy_get_number_of_children(self)
7153 def get_child(self, i):
7154 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7155 return _IMP_core.Hierarchy_get_child(self, i)
7157 def get_children_indexes(self):
7158 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7159 return _IMP_core.Hierarchy_get_children_indexes(self)
7161 def get_children(self):
7162 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7163 return _IMP_core.Hierarchy_get_children(self)
7165 def remove_child(self, *args):
7167 remove_child(Hierarchy self, unsigned int i)
7168 remove_child(Hierarchy self, Hierarchy h)
7170 return _IMP_core.Hierarchy_remove_child(self, *args)
7172 def clear_children(self):
7173 r"""clear_children(Hierarchy self)"""
7174 return _IMP_core.Hierarchy_clear_children(self)
7176 def add_child(self, h):
7177 r"""add_child(Hierarchy self, Hierarchy h)"""
7178 return _IMP_core.Hierarchy_add_child(self, h)
7180 def add_child_at(self, h, pos):
7181 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7182 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7184 def get_child_index(self, *args):
7186 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7187 get_child_index(Hierarchy self) -> int
7189 return _IMP_core.Hierarchy_get_child_index(self, *args)
7192 def get_default_traits():
7193 r"""get_default_traits() -> HierarchyTraits"""
7194 return _IMP_core.Hierarchy_get_default_traits()
7196 def get_traits(self):
7197 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7198 return _IMP_core.Hierarchy_get_traits(self)
7200 def add_attribute(self, *args):
7202 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7203 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7204 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7205 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7206 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7207 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7208 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7209 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7210 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7211 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7212 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7213 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7215 return _IMP_core.Hierarchy_add_attribute(self, *args)
7217 def get_value(self, *args):
7219 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7220 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7221 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7222 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7223 get_value(Hierarchy self, StringKey a0) -> IMP::String
7224 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7225 get_value(Hierarchy self, ObjectKey a0) -> Object
7226 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7227 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7228 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7229 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7231 return _IMP_core.Hierarchy_get_value(self, *args)
7233 def set_value(self, *args):
7235 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7236 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7237 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7238 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7239 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7240 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7241 set_value(Hierarchy self, ObjectKey a0, Object a1)
7242 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7243 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7244 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7245 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7247 return _IMP_core.Hierarchy_set_value(self, *args)
7249 def remove_attribute(self, *args):
7251 remove_attribute(Hierarchy self, FloatKey a0)
7252 remove_attribute(Hierarchy self, IntKey a0)
7253 remove_attribute(Hierarchy self, FloatsKey a0)
7254 remove_attribute(Hierarchy self, IntsKey a0)
7255 remove_attribute(Hierarchy self, StringKey a0)
7256 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7257 remove_attribute(Hierarchy self, ObjectKey a0)
7258 remove_attribute(Hierarchy self, SparseFloatKey a0)
7259 remove_attribute(Hierarchy self, SparseIntKey a0)
7260 remove_attribute(Hierarchy self, SparseStringKey a0)
7261 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7263 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7265 def has_attribute(self, *args):
7267 has_attribute(Hierarchy self, FloatKey a0) -> bool
7268 has_attribute(Hierarchy self, IntKey a0) -> bool
7269 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7270 has_attribute(Hierarchy self, IntsKey a0) -> bool
7271 has_attribute(Hierarchy self, StringKey a0) -> bool
7272 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7273 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7274 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7275 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7276 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7277 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7279 return _IMP_core.Hierarchy_has_attribute(self, *args)
7281 def get_derivative(self, a0):
7282 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7283 return _IMP_core.Hierarchy_get_derivative(self, a0)
7286 r"""get_name(Hierarchy self) -> std::string"""
7287 return _IMP_core.Hierarchy_get_name(self)
7289 def clear_caches(self):
7290 r"""clear_caches(Hierarchy self)"""
7291 return _IMP_core.Hierarchy_clear_caches(self)
7293 def set_name(self, a0):
7294 r"""set_name(Hierarchy self, std::string a0)"""
7295 return _IMP_core.Hierarchy_set_name(self, a0)
7298 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7299 return _IMP_core.Hierarchy_set_check_level(self, a0)
7301 def add_to_derivative(self, a0, a1, a2):
7302 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7303 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7305 def set_is_optimized(self, a0, a1):
7306 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7307 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7309 def get_is_optimized(self, a0):
7310 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7311 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7314 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7315 return _IMP_core.Hierarchy_get_check_level(self)
7317 def __eq__(self, *args):
7319 __eq__(Hierarchy self, Hierarchy o) -> bool
7320 __eq__(Hierarchy self, Particle d) -> bool
7322 return _IMP_core.Hierarchy___eq__(self, *args)
7324 def __ne__(self, *args):
7326 __ne__(Hierarchy self, Hierarchy o) -> bool
7327 __ne__(Hierarchy self, Particle d) -> bool
7329 return _IMP_core.Hierarchy___ne__(self, *args)
7331 def __le__(self, *args):
7333 __le__(Hierarchy self, Hierarchy o) -> bool
7334 __le__(Hierarchy self, Particle d) -> bool
7336 return _IMP_core.Hierarchy___le__(self, *args)
7338 def __lt__(self, *args):
7340 __lt__(Hierarchy self, Hierarchy o) -> bool
7341 __lt__(Hierarchy self, Particle d) -> bool
7343 return _IMP_core.Hierarchy___lt__(self, *args)
7345 def __ge__(self, *args):
7347 __ge__(Hierarchy self, Hierarchy o) -> bool
7348 __ge__(Hierarchy self, Particle d) -> bool
7350 return _IMP_core.Hierarchy___ge__(self, *args)
7352 def __gt__(self, *args):
7354 __gt__(Hierarchy self, Hierarchy o) -> bool
7355 __gt__(Hierarchy self, Particle d) -> bool
7357 return _IMP_core.Hierarchy___gt__(self, *args)
7360 r"""__hash__(Hierarchy self) -> std::size_t"""
7361 return _IMP_core.Hierarchy___hash__(self)
7364 r"""__str__(Hierarchy self) -> std::string"""
7365 return _IMP_core.Hierarchy___str__(self)
7368 r"""__repr__(Hierarchy self) -> std::string"""
7369 return _IMP_core.Hierarchy___repr__(self)
7370 __swig_destroy__ = _IMP_core.delete_Hierarchy
7373 _IMP_core.Hierarchy_swigregister(Hierarchy)
7374 class HierarchyVisitor(object):
7375 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7378 __repr__ = _swig_repr
7381 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7382 if self.__class__ == HierarchyVisitor:
7386 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7388 if self.__class__ != HierarchyVisitor:
7389 _director_objects.register(self)
7394 def __call__(self, p):
7395 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7396 return _IMP_core.HierarchyVisitor___call__(self, p)
7397 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7398 def __disown__(self):
7400 _IMP_core.disown_HierarchyVisitor(self)
7401 return weakref.proxy(self)
7404 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7405 class ModifierVisitor(HierarchyVisitor):
7406 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7408 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7409 __repr__ = _swig_repr
7411 def __init__(self, sm):
7412 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7413 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7414 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7417 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7418 class HierarchyCounter(HierarchyVisitor):
7419 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7424 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7425 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7427 def get_count(self):
7428 r"""get_count(HierarchyCounter self) -> unsigned int"""
7429 return _IMP_core.HierarchyCounter_get_count(self)
7431 def show(self, *args):
7432 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7433 return _IMP_core.HierarchyCounter_show(self, *args)
7436 r"""__str__(HierarchyCounter self) -> std::string"""
7437 return _IMP_core.HierarchyCounter___str__(self)
7440 r"""__repr__(HierarchyCounter self) -> std::string"""
7441 return _IMP_core.HierarchyCounter___repr__(self)
7443 def _get_as_binary(self):
7444 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7445 return _IMP_core.HierarchyCounter__get_as_binary(self)
7447 def _set_from_binary(self, p):
7448 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7449 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7451 def __getstate__(self):
7452 p = self._get_as_binary()
7453 if len(self.__dict__) > 1:
7454 d = self.__dict__.copy()
7459 def __setstate__(self, p):
7460 if not hasattr(self,
'this'):
7462 if isinstance(p, tuple):
7464 self.__dict__.update(d)
7465 return self._set_from_binary(p)
7467 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7470 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7473 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7474 return _IMP_core.get_leaves(mhd)
7477 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7478 return _IMP_core.get_internal(mhd)
7481 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7482 return _IMP_core.get_all_descendants(mhd)
7485 r"""get_root(Hierarchy h) -> Hierarchy"""
7486 return _IMP_core.get_root(h)
7489 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7490 return _IMP_core.visit_breadth_first(d, f)
7493 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7494 return _IMP_core.visit_depth_first(d, f)
7496 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7500 def __init__(self, tr):
7501 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7502 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7504 def do_get_inputs(self, m, pis):
7505 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7506 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7508 def get_version_info(self):
7509 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7510 return _IMP_core.LeavesRefiner_get_version_info(self)
7511 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7514 r"""__str__(LeavesRefiner self) -> std::string"""
7515 return _IMP_core.LeavesRefiner___str__(self)
7518 r"""__repr__(LeavesRefiner self) -> std::string"""
7519 return _IMP_core.LeavesRefiner___repr__(self)
7523 return _object_cast_to_LeavesRefiner(o)
7527 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7529 r"""Proxy of C++ IMP::core::Linear class."""
7531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7533 def __init__(self, *args):
7535 __init__(Linear self, double offset, double slope) -> Linear
7536 __init__(Linear self) -> Linear
7538 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7540 def set_slope(self, f):
7541 r"""set_slope(Linear self, double f)"""
7542 return _IMP_core.Linear_set_slope(self, f)
7544 def get_slope(self):
7545 r"""get_slope(Linear self) -> double"""
7546 return _IMP_core.Linear_get_slope(self)
7548 def set_offset(self, f):
7549 r"""set_offset(Linear self, double f)"""
7550 return _IMP_core.Linear_set_offset(self, f)
7552 def get_offset(self):
7553 r"""get_offset(Linear self) -> double"""
7554 return _IMP_core.Linear_get_offset(self)
7556 def get_version_info(self):
7557 r"""get_version_info(Linear self) -> VersionInfo"""
7558 return _IMP_core.Linear_get_version_info(self)
7559 __swig_destroy__ = _IMP_core.delete_Linear
7562 r"""__str__(Linear self) -> std::string"""
7563 return _IMP_core.Linear___str__(self)
7566 r"""__repr__(Linear self) -> std::string"""
7567 return _IMP_core.Linear___repr__(self)
7571 return _object_cast_to_Linear(o)
7574 def _get_as_binary(self):
7575 r"""_get_as_binary(Linear self) -> PyObject *"""
7576 return _IMP_core.Linear__get_as_binary(self)
7578 def _set_from_binary(self, p):
7579 r"""_set_from_binary(Linear self, PyObject * p)"""
7580 return _IMP_core.Linear__set_from_binary(self, p)
7582 def __getstate__(self):
7583 p = self._get_as_binary()
7584 if len(self.__dict__) > 1:
7585 d = self.__dict__.copy()
7590 def __setstate__(self, p):
7591 if not hasattr(self,
'this'):
7593 if isinstance(p, tuple):
7595 self.__dict__.update(d)
7596 return self._set_from_binary(p)
7600 def score(val, slope, offset):
7601 return (val - offset) * slope
7602 return functools.partial(score, slope=self.get_slope(),
7603 offset=self.get_offset())
7607 _IMP_core.Linear_swigregister(Linear)
7608 class LogNormalMover(MonteCarloMover):
7609 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7613 def __init__(self, *args):
7615 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7616 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7617 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7618 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7619 __init__(LogNormalMover self) -> LogNormalMover
7621 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7623 def set_sigma(self, sigma):
7624 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7625 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7627 def get_sigma(self):
7628 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7629 return _IMP_core.LogNormalMover_get_sigma(self)
7631 def get_version_info(self):
7632 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7633 return _IMP_core.LogNormalMover_get_version_info(self)
7634 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7637 r"""__str__(LogNormalMover self) -> std::string"""
7638 return _IMP_core.LogNormalMover___str__(self)
7641 r"""__repr__(LogNormalMover self) -> std::string"""
7642 return _IMP_core.LogNormalMover___repr__(self)
7646 return _object_cast_to_LogNormalMover(o)
7649 def _get_as_binary(self):
7650 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7651 return _IMP_core.LogNormalMover__get_as_binary(self)
7653 def _set_from_binary(self, p):
7654 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7655 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7657 def __getstate__(self):
7658 p = self._get_as_binary()
7659 if len(self.__dict__) > 1:
7660 d = self.__dict__.copy()
7665 def __setstate__(self, p):
7666 if not hasattr(self,
'this'):
7668 if isinstance(p, tuple):
7670 self.__dict__.update(d)
7671 return self._set_from_binary(p)
7675 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7676 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7679 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7681 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7683 def __init__(self, *args):
7685 __init__(MonteCarlo self, Model m) -> MonteCarlo
7686 __init__(MonteCarlo self) -> MonteCarlo
7688 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7690 def get_version_info(self):
7691 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7692 return _IMP_core.MonteCarlo_get_version_info(self)
7693 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7695 def set_return_best(self, tf):
7696 r"""set_return_best(MonteCarlo self, bool tf)"""
7697 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7699 def get_return_best(self):
7700 r"""get_return_best(MonteCarlo self) -> bool"""
7701 return _IMP_core.MonteCarlo_get_return_best(self)
7703 def set_score_moved(self, mv):
7704 r"""set_score_moved(MonteCarlo self, bool mv)"""
7705 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7707 def set_kt(self, t):
7708 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7709 return _IMP_core.MonteCarlo_set_kt(self, t)
7712 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7713 return _IMP_core.MonteCarlo_get_kt(self)
7715 def get_last_accepted_energy(self):
7716 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7717 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7719 def set_last_accepted_energy(self, energy):
7720 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7721 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7723 def get_best_accepted_energy(self):
7724 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7725 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7727 def set_best_accepted_energy(self, energy):
7728 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7729 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7731 def get_number_of_downward_steps(self):
7732 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7733 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7735 def get_number_of_upward_steps(self):
7736 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7737 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7739 def get_number_of_proposed_steps(self):
7740 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7741 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7743 def get_number_of_accepted_steps(self):
7744 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7745 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7747 def set_number_of_downward_steps(self, nsteps):
7748 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7749 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7751 def set_number_of_upward_steps(self, nsteps):
7752 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7753 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7755 def set_number_of_rejected_steps(self, nsteps):
7756 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7757 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7759 def reset_statistics(self):
7760 r"""reset_statistics(MonteCarlo self)"""
7761 return _IMP_core.MonteCarlo_reset_statistics(self)
7763 def set_score_threshold(self, s):
7764 r"""set_score_threshold(MonteCarlo self, double s)"""
7765 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7767 def get_score_threshold(self):
7768 r"""get_score_threshold(MonteCarlo self) -> double"""
7769 return _IMP_core.MonteCarlo_get_score_threshold(self)
7771 def set_maximum_difference(self, d):
7772 r"""set_maximum_difference(MonteCarlo self, double d)"""
7773 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7775 def get_maximum_difference(self):
7776 r"""get_maximum_difference(MonteCarlo self) -> double"""
7777 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7778 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)
7779 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7780 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7781 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7783 def remove_mover(self, d):
7784 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7785 return _IMP_core.MonteCarlo_remove_mover(self, d)
7787 def _python_index_mover(self, d, start, stop):
7788 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7789 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7791 def remove_movers(self, d):
7792 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7793 return _IMP_core.MonteCarlo_remove_movers(self, d)
7795 def set_movers(self, ps):
7796 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7797 return _IMP_core.MonteCarlo_set_movers(self, ps)
7799 def set_movers_order(self, objs):
7800 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7801 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7803 def add_mover(self, obj):
7804 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7805 return _IMP_core.MonteCarlo_add_mover(self, obj)
7807 def add_movers(self, objs):
7808 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7809 return _IMP_core.MonteCarlo_add_movers(self, objs)
7811 def clear_movers(self):
7812 r"""clear_movers(MonteCarlo self)"""
7813 return _IMP_core.MonteCarlo_clear_movers(self)
7815 def get_number_of_movers(self):
7816 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7817 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7819 def get_has_movers(self):
7820 r"""get_has_movers(MonteCarlo self) -> bool"""
7821 return _IMP_core.MonteCarlo_get_has_movers(self)
7823 def get_mover(self, i):
7824 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7825 return _IMP_core.MonteCarlo_get_mover(self, i)
7827 def get_movers(self):
7828 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7829 return _IMP_core.MonteCarlo_get_movers(self)
7831 def erase_mover(self, i):
7832 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7833 return _IMP_core.MonteCarlo_erase_mover(self, i)
7835 def reserve_movers(self, sz):
7836 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7837 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7840 r"""__str__(MonteCarlo self) -> std::string"""
7841 return _IMP_core.MonteCarlo___str__(self)
7844 r"""__repr__(MonteCarlo self) -> std::string"""
7845 return _IMP_core.MonteCarlo___repr__(self)
7849 return _object_cast_to_MonteCarlo(o)
7852 def _get_as_binary(self):
7853 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7854 return _IMP_core.MonteCarlo__get_as_binary(self)
7856 def _set_from_binary(self, p):
7857 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7858 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7860 def __getstate__(self):
7861 p = self._get_as_binary()
7862 if len(self.__dict__) > 1:
7863 d = self.__dict__.copy()
7868 def __setstate__(self, p):
7869 if not hasattr(self,
'this'):
7871 if isinstance(p, tuple):
7873 self.__dict__.update(d)
7874 return self._set_from_binary(p)
7878 from IMP.core._jax_util
import _MCJAXInfo
7879 return _MCJAXInfo(self)
7881 def _get_jax_optimizer(self, max_steps):
7882 import IMP.core._jax_util
7883 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7885 def _optimize_jax(self, max_steps):
7886 opt = self._get_jax_optimizer(max_steps)
7887 score, mc_state = opt.optimize(opt.get_initial_state())
7892 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7893 class MonteCarloWithLocalOptimization(MonteCarlo):
7894 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7896 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7898 def __init__(self, opt, steps):
7899 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7900 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7902 def get_number_of_steps(self):
7903 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7904 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7906 def get_local_optimizer(self):
7907 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7908 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7909 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7912 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7913 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7916 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7917 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7921 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7925 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7926 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7927 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7931 def __init__(self, opt, ns):
7932 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7933 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7934 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7937 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7938 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7941 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7942 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7946 return _object_cast_to_MonteCarloWithBasinHopping(o)
7950 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7952 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7956 def __init__(self, *args):
7957 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7958 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7960 def get_neighbors(self, pi):
7961 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7962 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7964 def get_version_info(self):
7965 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7966 return _IMP_core.NeighborsTable_get_version_info(self)
7967 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7970 r"""__str__(NeighborsTable self) -> std::string"""
7971 return _IMP_core.NeighborsTable___str__(self)
7974 r"""__repr__(NeighborsTable self) -> std::string"""
7975 return _IMP_core.NeighborsTable___repr__(self)
7979 return _object_cast_to_NeighborsTable(o)
7983 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7984 class NormalMover(MonteCarloMover):
7985 r"""Proxy of C++ IMP::core::NormalMover class."""
7987 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7989 def __init__(self, *args):
7991 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7992 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7993 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7994 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7995 __init__(NormalMover self) -> NormalMover
7997 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7999 def set_sigma(self, sigma):
8000 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8001 return _IMP_core.NormalMover_set_sigma(self, sigma)
8003 def get_sigma(self):
8004 r"""get_sigma(NormalMover self) -> IMP::Float"""
8005 return _IMP_core.NormalMover_get_sigma(self)
8007 def get_version_info(self):
8008 r"""get_version_info(NormalMover self) -> VersionInfo"""
8009 return _IMP_core.NormalMover_get_version_info(self)
8010 __swig_destroy__ = _IMP_core.delete_NormalMover
8013 r"""__str__(NormalMover self) -> std::string"""
8014 return _IMP_core.NormalMover___str__(self)
8017 r"""__repr__(NormalMover self) -> std::string"""
8018 return _IMP_core.NormalMover___repr__(self)
8022 return _object_cast_to_NormalMover(o)
8025 def _get_as_binary(self):
8026 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8027 return _IMP_core.NormalMover__get_as_binary(self)
8029 def _set_from_binary(self, p):
8030 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8031 return _IMP_core.NormalMover__set_from_binary(self, p)
8033 def __getstate__(self):
8034 p = self._get_as_binary()
8035 if len(self.__dict__) > 1:
8036 d = self.__dict__.copy()
8041 def __setstate__(self, p):
8042 if not hasattr(self,
'this'):
8044 if isinstance(p, tuple):
8046 self.__dict__.update(d)
8047 return self._set_from_binary(p)
8051 _IMP_core.NormalMover_swigregister(NormalMover)
8052 class OpenCubicSpline(_OpenCubicSplineBase):
8053 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8057 def __init__(self, values, minrange, spacing, extend=False):
8058 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8059 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8061 def get_minrange(self):
8062 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8063 return _IMP_core.OpenCubicSpline_get_minrange(self)
8065 def get_spacing(self):
8066 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8067 return _IMP_core.OpenCubicSpline_get_spacing(self)
8069 def get_values(self):
8070 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8071 return _IMP_core.OpenCubicSpline_get_values(self)
8073 def get_extend(self):
8074 r"""get_extend(OpenCubicSpline self) -> bool"""
8075 return _IMP_core.OpenCubicSpline_get_extend(self)
8077 def get_second_derivatives(self):
8078 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8079 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8082 r"""__str__(OpenCubicSpline self) -> std::string"""
8083 return _IMP_core.OpenCubicSpline___str__(self)
8086 r"""__repr__(OpenCubicSpline self) -> std::string"""
8087 return _IMP_core.OpenCubicSpline___repr__(self)
8091 return _object_cast_to_OpenCubicSpline(o)
8095 import jax.numpy
as jnp
8096 from IMP.core._jax_util
import _spline
8097 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8099 feature = jnp.clip(feature, minrange, maxrange)
8101 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8102 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8103 values, second_derivs)
8104 spacing = self.get_spacing()
8105 minrange = self.get_minrange()
8106 values = jnp.asarray(self.get_values())
8107 maxrange = minrange + spacing * (len(values) - 1)
8108 return functools.partial(
8109 score, minrange=minrange, maxrange=maxrange,
8110 spacing=spacing, values=values,
8111 second_derivs=jnp.asarray(self.get_second_derivatives()))
8113 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8116 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8117 class QuadraticClosePairsFinder(ClosePairsFinder):
8118 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8120 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8123 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8124 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8126 def get_are_close_and_filtered(self, *args):
8128 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8129 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8131 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8133 def get_close_pairs(self, *args):
8135 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8136 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8137 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8138 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8140 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8142 def do_get_inputs(self, m, pis):
8143 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8144 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8146 def get_version_info(self):
8147 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8148 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8149 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8152 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8153 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8156 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8157 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8161 return _object_cast_to_QuadraticClosePairsFinder(o)
8165 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8167 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8169 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8171 def __init__(self, r, f):
8172 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8173 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8175 def do_get_inputs(self, m, pis):
8176 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8177 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8179 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8180 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"""
8181 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8183 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8184 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"""
8185 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8187 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8188 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"""
8189 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8191 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8192 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"""
8193 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8195 def get_version_info(self):
8196 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8197 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8198 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8201 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8202 return _IMP_core.RefinedPairsPairScore___str__(self)
8205 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8206 return _IMP_core.RefinedPairsPairScore___repr__(self)
8210 return _object_cast_to_RefinedPairsPairScore(o)
8214 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8215 class RigidBody(XYZ):
8216 r"""Proxy of C++ IMP::core::RigidBody class."""
8218 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8220 def get_rigid_members(self):
8221 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8222 return _IMP_core.RigidBody_get_rigid_members(self)
8225 def get_rotation_key():
8226 r"""get_rotation_key() -> Vector4DDerivKey"""
8227 return _IMP_core.RigidBody_get_rotation_key()
8229 def get_member_particle_indexes(self):
8230 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8231 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8233 def get_body_member_particle_indexes(self):
8234 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8235 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8237 def get_member_indexes(self):
8238 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8239 return _IMP_core.RigidBody_get_member_indexes(self)
8241 def show(self, *args):
8242 r"""show(RigidBody self, _ostream out=std::cout)"""
8243 return _IMP_core.RigidBody_show(self, *args)
8246 def setup_particle(*args):
8248 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8249 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8250 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8251 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8253 return _IMP_core.RigidBody_setup_particle(*args)
8256 def teardown_particle(rb):
8257 r"""teardown_particle(RigidBody rb)"""
8258 return _IMP_core.RigidBody_teardown_particle(rb)
8260 def __init__(self, *args):
8262 __init__(RigidBody self) -> RigidBody
8263 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8264 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8265 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8267 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8268 __swig_destroy__ = _IMP_core.delete_RigidBody
8271 def get_is_setup(*args):
8273 get_is_setup(_ParticleAdaptor p) -> bool
8274 get_is_setup(Model m, ParticleIndex pi) -> bool
8276 return _IMP_core.RigidBody_get_is_setup(*args)
8278 def get_coordinates(self):
8279 r"""get_coordinates(RigidBody self) -> Vector3D"""
8280 return _IMP_core.RigidBody_get_coordinates(self)
8282 def get_rotation(self):
8283 r"""get_rotation(RigidBody self) -> Rotation3D"""
8284 return _IMP_core.RigidBody_get_rotation(self)
8286 def get_reference_frame(self):
8287 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8288 return _IMP_core.RigidBody_get_reference_frame(self)
8290 def set_reference_frame(self, tr):
8291 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8292 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8294 def set_reference_frame_lazy(self, tr):
8295 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8296 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8298 def set_reference_frame_from_members(self, members):
8299 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8300 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8302 def pull_back_members_adjoints(self, da):
8303 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8304 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8306 def pull_back_member_adjoints(self, pi, da):
8307 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8308 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8310 def pull_back_body_member_adjoints(self, pi, da):
8311 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8312 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8314 def add_to_rotational_derivatives(self, qderiv, da):
8315 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8316 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8318 def add_to_torque(self, torque_local, da):
8319 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8320 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8322 def get_torque(self):
8323 r"""get_torque(RigidBody self) -> Vector3D"""
8324 return _IMP_core.RigidBody_get_torque(self)
8326 def get_coordinates_are_optimized(self):
8327 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8328 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8330 def set_coordinates_are_optimized(self, tf):
8331 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8332 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8334 def normalize_rotation(self):
8335 r"""normalize_rotation(RigidBody self)"""
8336 return _IMP_core.RigidBody_normalize_rotation(self)
8338 def update_members(self):
8339 r"""update_members(RigidBody self)"""
8340 return _IMP_core.RigidBody_update_members(self)
8342 def get_rotational_derivatives(self):
8343 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8344 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8346 def get_number_of_members(self):
8347 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8348 return _IMP_core.RigidBody_get_number_of_members(self)
8350 def get_member(self, i):
8351 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8352 return _IMP_core.RigidBody_get_member(self, i)
8354 def add_member(self, p):
8355 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8356 return _IMP_core.RigidBody_add_member(self, p)
8358 def add_non_rigid_member(self, p):
8359 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8360 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8362 def set_is_rigid_member(self, pi, tf):
8363 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8364 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8366 def remove_member(self, p):
8367 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8368 return _IMP_core.RigidBody_remove_member(self, p)
8370 def add_attribute(self, *args):
8372 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8373 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8374 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8375 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8376 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8377 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8378 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8379 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8380 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8381 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8382 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8383 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8385 return _IMP_core.RigidBody_add_attribute(self, *args)
8387 def get_value(self, *args):
8389 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8390 get_value(RigidBody self, IntKey a0) -> IMP::Int
8391 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8392 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8393 get_value(RigidBody self, StringKey a0) -> IMP::String
8394 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8395 get_value(RigidBody self, ObjectKey a0) -> Object
8396 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8397 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8398 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8399 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8401 return _IMP_core.RigidBody_get_value(self, *args)
8403 def set_value(self, *args):
8405 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8406 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8407 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8408 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8409 set_value(RigidBody self, StringKey a0, IMP::String a1)
8410 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8411 set_value(RigidBody self, ObjectKey a0, Object a1)
8412 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8413 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8414 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8415 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8417 return _IMP_core.RigidBody_set_value(self, *args)
8419 def remove_attribute(self, *args):
8421 remove_attribute(RigidBody self, FloatKey a0)
8422 remove_attribute(RigidBody self, IntKey a0)
8423 remove_attribute(RigidBody self, FloatsKey a0)
8424 remove_attribute(RigidBody self, IntsKey a0)
8425 remove_attribute(RigidBody self, StringKey a0)
8426 remove_attribute(RigidBody self, ParticleIndexKey a0)
8427 remove_attribute(RigidBody self, ObjectKey a0)
8428 remove_attribute(RigidBody self, SparseFloatKey a0)
8429 remove_attribute(RigidBody self, SparseIntKey a0)
8430 remove_attribute(RigidBody self, SparseStringKey a0)
8431 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8433 return _IMP_core.RigidBody_remove_attribute(self, *args)
8435 def has_attribute(self, *args):
8437 has_attribute(RigidBody self, FloatKey a0) -> bool
8438 has_attribute(RigidBody self, IntKey a0) -> bool
8439 has_attribute(RigidBody self, FloatsKey a0) -> bool
8440 has_attribute(RigidBody self, IntsKey a0) -> bool
8441 has_attribute(RigidBody self, StringKey a0) -> bool
8442 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8443 has_attribute(RigidBody self, ObjectKey a0) -> bool
8444 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8445 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8446 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8447 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8449 return _IMP_core.RigidBody_has_attribute(self, *args)
8451 def get_derivative(self, a0):
8452 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8453 return _IMP_core.RigidBody_get_derivative(self, a0)
8456 r"""get_name(RigidBody self) -> std::string"""
8457 return _IMP_core.RigidBody_get_name(self)
8459 def clear_caches(self):
8460 r"""clear_caches(RigidBody self)"""
8461 return _IMP_core.RigidBody_clear_caches(self)
8463 def set_name(self, a0):
8464 r"""set_name(RigidBody self, std::string a0)"""
8465 return _IMP_core.RigidBody_set_name(self, a0)
8468 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8469 return _IMP_core.RigidBody_set_check_level(self, a0)
8471 def add_to_derivative(self, a0, a1, a2):
8472 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8473 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8475 def set_is_optimized(self, a0, a1):
8476 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8477 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8479 def get_is_optimized(self, a0):
8480 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8481 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8484 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8485 return _IMP_core.RigidBody_get_check_level(self)
8487 def __eq__(self, *args):
8489 __eq__(RigidBody self, RigidBody o) -> bool
8490 __eq__(RigidBody self, Particle d) -> bool
8492 return _IMP_core.RigidBody___eq__(self, *args)
8494 def __ne__(self, *args):
8496 __ne__(RigidBody self, RigidBody o) -> bool
8497 __ne__(RigidBody self, Particle d) -> bool
8499 return _IMP_core.RigidBody___ne__(self, *args)
8501 def __le__(self, *args):
8503 __le__(RigidBody self, RigidBody o) -> bool
8504 __le__(RigidBody self, Particle d) -> bool
8506 return _IMP_core.RigidBody___le__(self, *args)
8508 def __lt__(self, *args):
8510 __lt__(RigidBody self, RigidBody o) -> bool
8511 __lt__(RigidBody self, Particle d) -> bool
8513 return _IMP_core.RigidBody___lt__(self, *args)
8515 def __ge__(self, *args):
8517 __ge__(RigidBody self, RigidBody o) -> bool
8518 __ge__(RigidBody self, Particle d) -> bool
8520 return _IMP_core.RigidBody___ge__(self, *args)
8522 def __gt__(self, *args):
8524 __gt__(RigidBody self, RigidBody o) -> bool
8525 __gt__(RigidBody self, Particle d) -> bool
8527 return _IMP_core.RigidBody___gt__(self, *args)
8530 r"""__hash__(RigidBody self) -> std::size_t"""
8531 return _IMP_core.RigidBody___hash__(self)
8534 r"""__str__(RigidBody self) -> std::string"""
8535 return _IMP_core.RigidBody___str__(self)
8538 r"""__repr__(RigidBody self) -> std::string"""
8539 return _IMP_core.RigidBody___repr__(self)
8541 def _get_as_binary(self):
8542 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8543 return _IMP_core.RigidBody__get_as_binary(self)
8545 def _set_from_binary(self, p):
8546 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8547 return _IMP_core.RigidBody__set_from_binary(self, p)
8549 def __getstate__(self):
8550 p = self._get_as_binary()
8551 if len(self.__dict__) > 1:
8552 d = self.__dict__.copy()
8557 def __setstate__(self, p):
8558 if not hasattr(self,
'this'):
8560 if isinstance(p, tuple):
8562 self.__dict__.update(d)
8563 return self._set_from_binary(p)
8567 _IMP_core.RigidBody_swigregister(RigidBody)
8570 r"""add_rigid_body_cache_key(ObjectKey k)"""
8571 return _IMP_core.add_rigid_body_cache_key(k)
8572 class RigidBodyMember(XYZ):
8573 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8575 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8577 def show(self, *args):
8578 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8579 return _IMP_core.RigidBodyMember_show(self, *args)
8581 def get_rigid_body(self):
8582 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8583 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8585 def get_internal_coordinates(self):
8586 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8587 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8589 def set_internal_coordinates(self, v):
8590 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8591 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8593 def set_internal_transformation(self, v):
8594 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8595 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8597 def get_internal_transformation(self):
8598 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8599 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8600 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8602 def set_coordinates(self, *args):
8604 set_coordinates(RigidBodyMember self, Vector3D center)
8605 set_coordinates(RigidBodyMember self, Transformation3D tr)
8607 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8609 def __init__(self, *args):
8611 __init__(RigidBodyMember self) -> RigidBodyMember
8612 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8613 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8614 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8616 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8619 def get_is_setup(*args):
8621 get_is_setup(_ParticleAdaptor p) -> bool
8622 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8624 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8627 def get_internal_coordinate_keys():
8628 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8629 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8632 def get_internal_rotation_key():
8633 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8634 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8636 def add_attribute(self, *args):
8638 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8639 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8640 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8641 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8642 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8643 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8644 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8645 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8646 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8647 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8648 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8649 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8651 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8653 def get_value(self, *args):
8655 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8656 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8657 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8658 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8659 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8660 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8661 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8662 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8663 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8664 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8665 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8667 return _IMP_core.RigidBodyMember_get_value(self, *args)
8669 def set_value(self, *args):
8671 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8672 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8673 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8674 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8675 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8676 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8677 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8678 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8679 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8680 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8681 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8683 return _IMP_core.RigidBodyMember_set_value(self, *args)
8685 def remove_attribute(self, *args):
8687 remove_attribute(RigidBodyMember self, FloatKey a0)
8688 remove_attribute(RigidBodyMember self, IntKey a0)
8689 remove_attribute(RigidBodyMember self, FloatsKey a0)
8690 remove_attribute(RigidBodyMember self, IntsKey a0)
8691 remove_attribute(RigidBodyMember self, StringKey a0)
8692 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8693 remove_attribute(RigidBodyMember self, ObjectKey a0)
8694 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8695 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8696 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8697 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8699 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8701 def has_attribute(self, *args):
8703 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8704 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8705 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8706 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8707 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8708 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8709 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8710 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8711 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8712 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8713 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8715 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8717 def get_derivative(self, a0):
8718 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8719 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8722 r"""get_name(RigidBodyMember self) -> std::string"""
8723 return _IMP_core.RigidBodyMember_get_name(self)
8725 def clear_caches(self):
8726 r"""clear_caches(RigidBodyMember self)"""
8727 return _IMP_core.RigidBodyMember_clear_caches(self)
8729 def set_name(self, a0):
8730 r"""set_name(RigidBodyMember self, std::string a0)"""
8731 return _IMP_core.RigidBodyMember_set_name(self, a0)
8734 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8735 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8737 def add_to_derivative(self, a0, a1, a2):
8738 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8739 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8741 def set_is_optimized(self, a0, a1):
8742 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8743 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8745 def get_is_optimized(self, a0):
8746 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8747 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8750 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8751 return _IMP_core.RigidBodyMember_get_check_level(self)
8753 def __eq__(self, *args):
8755 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8756 __eq__(RigidBodyMember self, Particle d) -> bool
8758 return _IMP_core.RigidBodyMember___eq__(self, *args)
8760 def __ne__(self, *args):
8762 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8763 __ne__(RigidBodyMember self, Particle d) -> bool
8765 return _IMP_core.RigidBodyMember___ne__(self, *args)
8767 def __le__(self, *args):
8769 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8770 __le__(RigidBodyMember self, Particle d) -> bool
8772 return _IMP_core.RigidBodyMember___le__(self, *args)
8774 def __lt__(self, *args):
8776 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8777 __lt__(RigidBodyMember self, Particle d) -> bool
8779 return _IMP_core.RigidBodyMember___lt__(self, *args)
8781 def __ge__(self, *args):
8783 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8784 __ge__(RigidBodyMember self, Particle d) -> bool
8786 return _IMP_core.RigidBodyMember___ge__(self, *args)
8788 def __gt__(self, *args):
8790 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8791 __gt__(RigidBodyMember self, Particle d) -> bool
8793 return _IMP_core.RigidBodyMember___gt__(self, *args)
8796 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8797 return _IMP_core.RigidBodyMember___hash__(self)
8800 r"""__str__(RigidBodyMember self) -> std::string"""
8801 return _IMP_core.RigidBodyMember___str__(self)
8804 r"""__repr__(RigidBodyMember self) -> std::string"""
8805 return _IMP_core.RigidBodyMember___repr__(self)
8807 def _get_as_binary(self):
8808 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8809 return _IMP_core.RigidBodyMember__get_as_binary(self)
8811 def _set_from_binary(self, p):
8812 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8813 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8815 def __getstate__(self):
8816 p = self._get_as_binary()
8817 if len(self.__dict__) > 1:
8818 d = self.__dict__.copy()
8823 def __setstate__(self, p):
8824 if not hasattr(self,
'this'):
8826 if isinstance(p, tuple):
8828 self.__dict__.update(d)
8829 return self._set_from_binary(p)
8833 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8834 class RigidMember(RigidBodyMember):
8835 r"""Proxy of C++ IMP::core::RigidMember class."""
8837 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8839 def show(self, *args):
8840 r"""show(RigidMember self, _ostream out=std::cout)"""
8841 return _IMP_core.RigidMember_show(self, *args)
8843 def __init__(self, *args):
8845 __init__(RigidMember self) -> RigidMember
8846 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8847 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8848 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8850 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8851 __swig_destroy__ = _IMP_core.delete_RigidMember
8854 def get_is_setup(*args):
8856 get_is_setup(_ParticleAdaptor p) -> bool
8857 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8859 return _IMP_core.RigidMember_get_is_setup(*args)
8861 def add_attribute(self, *args):
8863 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8864 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8865 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8866 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8867 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8868 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8869 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8870 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8871 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8872 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8873 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8874 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8876 return _IMP_core.RigidMember_add_attribute(self, *args)
8878 def get_value(self, *args):
8880 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8881 get_value(RigidMember self, IntKey a0) -> IMP::Int
8882 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8883 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8884 get_value(RigidMember self, StringKey a0) -> IMP::String
8885 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8886 get_value(RigidMember self, ObjectKey a0) -> Object
8887 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8888 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8889 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8890 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8892 return _IMP_core.RigidMember_get_value(self, *args)
8894 def set_value(self, *args):
8896 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8897 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8898 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8899 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8900 set_value(RigidMember self, StringKey a0, IMP::String a1)
8901 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8902 set_value(RigidMember self, ObjectKey a0, Object a1)
8903 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8904 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8905 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8906 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8908 return _IMP_core.RigidMember_set_value(self, *args)
8910 def remove_attribute(self, *args):
8912 remove_attribute(RigidMember self, FloatKey a0)
8913 remove_attribute(RigidMember self, IntKey a0)
8914 remove_attribute(RigidMember self, FloatsKey a0)
8915 remove_attribute(RigidMember self, IntsKey a0)
8916 remove_attribute(RigidMember self, StringKey a0)
8917 remove_attribute(RigidMember self, ParticleIndexKey a0)
8918 remove_attribute(RigidMember self, ObjectKey a0)
8919 remove_attribute(RigidMember self, SparseFloatKey a0)
8920 remove_attribute(RigidMember self, SparseIntKey a0)
8921 remove_attribute(RigidMember self, SparseStringKey a0)
8922 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8924 return _IMP_core.RigidMember_remove_attribute(self, *args)
8926 def has_attribute(self, *args):
8928 has_attribute(RigidMember self, FloatKey a0) -> bool
8929 has_attribute(RigidMember self, IntKey a0) -> bool
8930 has_attribute(RigidMember self, FloatsKey a0) -> bool
8931 has_attribute(RigidMember self, IntsKey a0) -> bool
8932 has_attribute(RigidMember self, StringKey a0) -> bool
8933 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8934 has_attribute(RigidMember self, ObjectKey a0) -> bool
8935 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8936 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8937 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8938 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8940 return _IMP_core.RigidMember_has_attribute(self, *args)
8942 def get_derivative(self, a0):
8943 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8944 return _IMP_core.RigidMember_get_derivative(self, a0)
8947 r"""get_name(RigidMember self) -> std::string"""
8948 return _IMP_core.RigidMember_get_name(self)
8950 def clear_caches(self):
8951 r"""clear_caches(RigidMember self)"""
8952 return _IMP_core.RigidMember_clear_caches(self)
8954 def set_name(self, a0):
8955 r"""set_name(RigidMember self, std::string a0)"""
8956 return _IMP_core.RigidMember_set_name(self, a0)
8959 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8960 return _IMP_core.RigidMember_set_check_level(self, a0)
8962 def add_to_derivative(self, a0, a1, a2):
8963 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8964 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8966 def set_is_optimized(self, a0, a1):
8967 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8968 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8970 def get_is_optimized(self, a0):
8971 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8972 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8975 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8976 return _IMP_core.RigidMember_get_check_level(self)
8978 def __eq__(self, *args):
8980 __eq__(RigidMember self, RigidMember o) -> bool
8981 __eq__(RigidMember self, Particle d) -> bool
8983 return _IMP_core.RigidMember___eq__(self, *args)
8985 def __ne__(self, *args):
8987 __ne__(RigidMember self, RigidMember o) -> bool
8988 __ne__(RigidMember self, Particle d) -> bool
8990 return _IMP_core.RigidMember___ne__(self, *args)
8992 def __le__(self, *args):
8994 __le__(RigidMember self, RigidMember o) -> bool
8995 __le__(RigidMember self, Particle d) -> bool
8997 return _IMP_core.RigidMember___le__(self, *args)
8999 def __lt__(self, *args):
9001 __lt__(RigidMember self, RigidMember o) -> bool
9002 __lt__(RigidMember self, Particle d) -> bool
9004 return _IMP_core.RigidMember___lt__(self, *args)
9006 def __ge__(self, *args):
9008 __ge__(RigidMember self, RigidMember o) -> bool
9009 __ge__(RigidMember self, Particle d) -> bool
9011 return _IMP_core.RigidMember___ge__(self, *args)
9013 def __gt__(self, *args):
9015 __gt__(RigidMember self, RigidMember o) -> bool
9016 __gt__(RigidMember self, Particle d) -> bool
9018 return _IMP_core.RigidMember___gt__(self, *args)
9021 r"""__hash__(RigidMember self) -> std::size_t"""
9022 return _IMP_core.RigidMember___hash__(self)
9025 r"""__str__(RigidMember self) -> std::string"""
9026 return _IMP_core.RigidMember___str__(self)
9029 r"""__repr__(RigidMember self) -> std::string"""
9030 return _IMP_core.RigidMember___repr__(self)
9032 def _get_as_binary(self):
9033 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9034 return _IMP_core.RigidMember__get_as_binary(self)
9036 def _set_from_binary(self, p):
9037 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9038 return _IMP_core.RigidMember__set_from_binary(self, p)
9040 def __getstate__(self):
9041 p = self._get_as_binary()
9042 if len(self.__dict__) > 1:
9043 d = self.__dict__.copy()
9048 def __setstate__(self, p):
9049 if not hasattr(self,
'this'):
9051 if isinstance(p, tuple):
9053 self.__dict__.update(d)
9054 return self._set_from_binary(p)
9058 _IMP_core.RigidMember_swigregister(RigidMember)
9059 class NonRigidMember(RigidBodyMember):
9060 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9062 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9064 def show(self, *args):
9065 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9066 return _IMP_core.NonRigidMember_show(self, *args)
9068 def __init__(self, *args):
9070 __init__(NonRigidMember self) -> NonRigidMember
9071 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9072 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9073 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9075 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9076 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9079 def get_is_setup(*args):
9081 get_is_setup(_ParticleAdaptor p) -> bool
9082 get_is_setup(Model m, ParticleIndex p) -> bool
9084 return _IMP_core.NonRigidMember_get_is_setup(*args)
9086 def add_to_internal_derivatives(self, deriv_parent, da):
9087 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9088 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9090 def add_to_internal_rotational_derivatives(self, qderiv, da):
9091 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9092 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9094 def get_internal_derivatives(self):
9095 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9096 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9098 def get_internal_rotational_derivatives(self):
9099 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9100 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9102 def add_attribute(self, *args):
9104 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9105 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9106 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9107 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9108 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9109 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9110 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9111 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9112 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9113 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9114 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9115 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9117 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9119 def get_value(self, *args):
9121 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9122 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9123 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9124 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9125 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9126 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9127 get_value(NonRigidMember self, ObjectKey a0) -> Object
9128 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9129 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9130 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9131 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9133 return _IMP_core.NonRigidMember_get_value(self, *args)
9135 def set_value(self, *args):
9137 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9138 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9139 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9140 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9141 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9142 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9143 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9144 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9145 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9146 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9147 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9149 return _IMP_core.NonRigidMember_set_value(self, *args)
9151 def remove_attribute(self, *args):
9153 remove_attribute(NonRigidMember self, FloatKey a0)
9154 remove_attribute(NonRigidMember self, IntKey a0)
9155 remove_attribute(NonRigidMember self, FloatsKey a0)
9156 remove_attribute(NonRigidMember self, IntsKey a0)
9157 remove_attribute(NonRigidMember self, StringKey a0)
9158 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9159 remove_attribute(NonRigidMember self, ObjectKey a0)
9160 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9161 remove_attribute(NonRigidMember self, SparseIntKey a0)
9162 remove_attribute(NonRigidMember self, SparseStringKey a0)
9163 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9165 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9167 def has_attribute(self, *args):
9169 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9170 has_attribute(NonRigidMember self, IntKey a0) -> bool
9171 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9172 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9173 has_attribute(NonRigidMember self, StringKey a0) -> bool
9174 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9175 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9176 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9177 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9178 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9179 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9181 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9183 def get_derivative(self, a0):
9184 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9185 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9188 r"""get_name(NonRigidMember self) -> std::string"""
9189 return _IMP_core.NonRigidMember_get_name(self)
9191 def clear_caches(self):
9192 r"""clear_caches(NonRigidMember self)"""
9193 return _IMP_core.NonRigidMember_clear_caches(self)
9195 def set_name(self, a0):
9196 r"""set_name(NonRigidMember self, std::string a0)"""
9197 return _IMP_core.NonRigidMember_set_name(self, a0)
9200 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9201 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9203 def add_to_derivative(self, a0, a1, a2):
9204 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9205 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9207 def set_is_optimized(self, a0, a1):
9208 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9209 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9211 def get_is_optimized(self, a0):
9212 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9213 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9216 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9217 return _IMP_core.NonRigidMember_get_check_level(self)
9219 def __eq__(self, *args):
9221 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9222 __eq__(NonRigidMember self, Particle d) -> bool
9224 return _IMP_core.NonRigidMember___eq__(self, *args)
9226 def __ne__(self, *args):
9228 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9229 __ne__(NonRigidMember self, Particle d) -> bool
9231 return _IMP_core.NonRigidMember___ne__(self, *args)
9233 def __le__(self, *args):
9235 __le__(NonRigidMember self, NonRigidMember o) -> bool
9236 __le__(NonRigidMember self, Particle d) -> bool
9238 return _IMP_core.NonRigidMember___le__(self, *args)
9240 def __lt__(self, *args):
9242 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9243 __lt__(NonRigidMember self, Particle d) -> bool
9245 return _IMP_core.NonRigidMember___lt__(self, *args)
9247 def __ge__(self, *args):
9249 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9250 __ge__(NonRigidMember self, Particle d) -> bool
9252 return _IMP_core.NonRigidMember___ge__(self, *args)
9254 def __gt__(self, *args):
9256 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9257 __gt__(NonRigidMember self, Particle d) -> bool
9259 return _IMP_core.NonRigidMember___gt__(self, *args)
9262 r"""__hash__(NonRigidMember self) -> std::size_t"""
9263 return _IMP_core.NonRigidMember___hash__(self)
9266 r"""__str__(NonRigidMember self) -> std::string"""
9267 return _IMP_core.NonRigidMember___str__(self)
9270 r"""__repr__(NonRigidMember self) -> std::string"""
9271 return _IMP_core.NonRigidMember___repr__(self)
9273 def _get_as_binary(self):
9274 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9275 return _IMP_core.NonRigidMember__get_as_binary(self)
9277 def _set_from_binary(self, p):
9278 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9279 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9281 def __getstate__(self):
9282 p = self._get_as_binary()
9283 if len(self.__dict__) > 1:
9284 d = self.__dict__.copy()
9289 def __setstate__(self, p):
9290 if not hasattr(self,
'this'):
9292 if isinstance(p, tuple):
9294 self.__dict__.update(d)
9295 return self._set_from_binary(p)
9299 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9301 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9305 def __init__(self, *args):
9306 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9307 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9309 def do_get_inputs(self, m, pis):
9310 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9311 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9313 def get_version_info(self):
9314 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9315 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9316 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9319 r"""__str__(RigidMembersRefiner self) -> std::string"""
9320 return _IMP_core.RigidMembersRefiner___str__(self)
9323 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9324 return _IMP_core.RigidMembersRefiner___repr__(self)
9328 return _object_cast_to_RigidMembersRefiner(o)
9332 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9334 def get_rigid_members_refiner():
9335 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9336 return _IMP_core.get_rigid_members_refiner()
9340 transform(XYZ a, Transformation3D tr)
9341 transform(RigidBody a, Transformation3D tr)
9343 return _IMP_core.transform(*args)
9347 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9348 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9350 return _IMP_core.get_initial_reference_frame(*args)
9353 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9354 return _IMP_core.create_rigid_bodies(m, n, no_members)
9357 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9358 return _IMP_core.show_rigid_body_hierarchy(*args)
9361 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9362 return _IMP_core.get_root_rigid_body(m)
9364 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9366 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9368 def __init__(self, *args):
9369 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9370 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9372 def do_get_inputs(self, m, pis):
9373 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9374 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9376 def do_get_outputs(self, m, pis):
9377 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9378 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9380 def get_version_info(self):
9381 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9382 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9383 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9386 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9387 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9390 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9391 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9395 return _object_cast_to__UpdateRigidBodyMembers(o)
9399 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9401 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9403 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9405 def __init__(self, *args):
9406 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9407 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9409 def do_get_inputs(self, m, pis):
9410 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9411 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9413 def do_get_outputs(self, m, pis):
9414 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9415 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9417 def get_version_info(self):
9418 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9419 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9420 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9423 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9424 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9427 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9428 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9432 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9436 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9438 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9440 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9442 def __init__(self, *args):
9443 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9444 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9446 def do_get_inputs(self, m, pis):
9447 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9448 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9450 def do_get_outputs(self, m, pis):
9451 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9452 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9454 def get_version_info(self):
9455 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9456 return _IMP_core._NormalizeRotation_get_version_info(self)
9457 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9460 r"""__str__(_NormalizeRotation self) -> std::string"""
9461 return _IMP_core._NormalizeRotation___str__(self)
9464 r"""__repr__(_NormalizeRotation self) -> std::string"""
9465 return _IMP_core._NormalizeRotation___repr__(self)
9469 return _object_cast_to__NormalizeRotation(o)
9473 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9475 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9477 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9479 def __init__(self, *args, **kwargs):
9480 raise AttributeError(
"No constructor defined - class is abstract")
9482 def get_before_modifier(self):
9483 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9484 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9486 def get_container(self):
9487 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9488 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9490 def get_version_info(self):
9491 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9492 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9493 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9496 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9497 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9500 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9501 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9505 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9509 from IMP.algebra._jax_util
import _quaternion_normalize
9511 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9514 allrbs = jm[
'rigid_bodies']
9515 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9517 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9521 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9523 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9527 def __init__(self, *args, **kwargs):
9528 raise AttributeError(
"No constructor defined - class is abstract")
9530 def get_version_info(self):
9531 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9532 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9533 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9535 def get_before_modifier(self):
9536 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9537 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9539 def get_after_modifier(self):
9540 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9541 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9544 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9545 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9548 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9549 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9552 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9553 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9557 return _object_cast_to__RigidBodyPositionConstraint(o)
9564 bodies = jm[
'rigid_bodies'].bodies
9569 jm = body.update_members(jm)
9571 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9575 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9577 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9579 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9581 def __init__(self, rb, constituents):
9582 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9583 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9585 def get_version_info(self):
9586 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9587 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9588 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9591 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9592 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9595 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9596 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9600 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9604 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9606 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9608 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9610 def __init__(self, *args):
9612 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9613 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9615 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9617 def get_version_info(self):
9618 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9619 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9620 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9623 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9624 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9627 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9628 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9632 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9636 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9638 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9640 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9642 def __init__(self, sc):
9643 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9644 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9646 def get_version_info(self):
9647 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9648 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9649 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9652 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9653 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9656 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9657 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9661 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9665 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9667 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9669 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9671 def __init__(self, *args):
9673 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9674 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9676 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9678 def get_version_info(self):
9679 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9680 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9681 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9684 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9685 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9688 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9689 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9693 return _object_cast_to_RigidBodyFrameGeometry(o)
9697 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9699 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9703 def __init__(self, sc):
9704 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9705 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9707 def get_version_info(self):
9708 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9709 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9710 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9713 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9714 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9717 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9718 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9722 return _object_cast_to_RigidBodyFramesGeometry(o)
9726 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9728 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9730 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9732 def __init__(self, p):
9733 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9734 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9737 r"""__str__(RigidBodyTorque self) -> std::string"""
9738 return _IMP_core.RigidBodyTorque___str__(self)
9741 r"""__repr__(RigidBodyTorque self) -> std::string"""
9742 return _IMP_core.RigidBodyTorque___repr__(self)
9746 return _object_cast_to_RigidBodyTorque(o)
9748 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9751 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9752 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9753 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9755 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9758 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9759 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9761 def get_close_pairs(self, *args):
9763 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9764 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9765 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9766 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9768 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9770 def do_get_inputs(self, m, pis):
9771 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9772 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9774 def get_version_info(self):
9775 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9776 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9777 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9780 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9781 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9784 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9785 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9789 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9793 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9795 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9797 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9799 def __init__(self, *args):
9801 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9802 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9803 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9805 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9807 def do_add_score_and_derivatives(self, sa, ss):
9808 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9809 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9811 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9812 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)"""
9813 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9815 def do_get_inputs(self):
9816 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9817 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9819 def get_restraints(self):
9820 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9821 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9823 def set_restraints(self, d):
9824 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9825 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9827 def get_number_of_restraints(self):
9828 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9829 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9831 def clear_restraints(self):
9832 r"""clear_restraints(RestraintsScoringFunction self)"""
9833 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9835 def get_restraint(self, i):
9836 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9837 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9839 def erase_restraint(self, i):
9840 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9841 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9844 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9845 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9848 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9849 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9851 def _python_index_restraint(self, r, start, stop):
9852 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9853 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9854 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)
9855 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9856 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9857 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9859 def get_version_info(self):
9860 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9861 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9862 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9865 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9866 return _IMP_core.RestraintsScoringFunction___str__(self)
9869 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9870 return _IMP_core.RestraintsScoringFunction___repr__(self)
9874 return _object_cast_to_RestraintsScoringFunction(o)
9877 def _get_as_binary(self):
9878 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9879 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9881 def _set_from_binary(self, p):
9882 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9883 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9885 def __getstate__(self):
9886 p = self._get_as_binary()
9887 if len(self.__dict__) > 1:
9888 d = self.__dict__.copy()
9893 def __setstate__(self, p):
9894 if not hasattr(self,
'this'):
9896 if isinstance(p, tuple):
9898 self.__dict__.update(d)
9899 return self._set_from_binary(p)
9903 import IMP._jax_util
9904 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9905 funcs = [j.score_func
for j
in jis]
9906 keys = frozenset(x
for j
in jis
for x
in j._keys)
9908 return sum(f(jm)
for f
in funcs)
9909 return IMP._jax_util.JAXRestraintInfo(
9910 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9914 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9915 class RigidClosePairsFinder(ClosePairsFinder):
9916 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9918 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9920 def __init__(self, cpf=None):
9921 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9922 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9924 def do_get_inputs(self, m, pis):
9925 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9926 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9928 def get_close_pairs(self, *args):
9930 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9931 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9932 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9933 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9934 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9936 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9938 def get_version_info(self):
9939 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9940 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9941 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9944 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9945 return _IMP_core.RigidClosePairsFinder___str__(self)
9948 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9949 return _IMP_core.RigidClosePairsFinder___repr__(self)
9953 return _object_cast_to_RigidClosePairsFinder(o)
9956 def _get_as_binary(self):
9957 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9958 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9960 def _set_from_binary(self, p):
9961 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9962 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9964 def __getstate__(self):
9965 p = self._get_as_binary()
9966 if len(self.__dict__) > 1:
9967 d = self.__dict__.copy()
9972 def __setstate__(self, p):
9973 if not hasattr(self,
'this'):
9975 if isinstance(p, tuple):
9977 self.__dict__.update(d)
9978 return self._set_from_binary(p)
9982 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9984 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9986 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9987 __repr__ = _swig_repr
9989 def __init__(self, *args):
9991 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9992 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9994 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9996 def do_get_inputs(self, m, pis):
9997 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9998 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10000 def get_score_functor(self, *args):
10002 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10003 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10005 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10007 def get_version_info(self):
10008 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10009 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10010 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10014 return _object_cast_to__SphereDistancePairScore(o)
10017 def _get_as_binary(self):
10018 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10019 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10021 def _set_from_binary(self, p):
10022 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10023 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10025 def __getstate__(self):
10026 p = self._get_as_binary()
10027 if len(self.__dict__) > 1:
10028 d = self.__dict__.copy()
10033 def __setstate__(self, p):
10034 if not hasattr(self,
'this'):
10036 if isinstance(p, tuple):
10038 self.__dict__.update(d)
10039 return self._set_from_binary(p)
10042 def _get_jax(self, m, indexes):
10043 import jax.numpy
as jnp
10044 def jax_score(jm, uf):
10045 xyzs = jm[
'xyz'][indexes]
10046 rs = jm[
'r'][indexes]
10047 diff = xyzs[:,0] - xyzs[:,1]
10048 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10050 sfnc = self.get_score_functor()
10051 uf = sfnc.get_unary_function().get_derived_object()
10052 f = functools.partial(jax_score, uf=uf._get_jax())
10053 return self._wrap_jax(m, f)
10057 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10058 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10059 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10063 def __init__(self, *args):
10065 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10066 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10068 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10070 def do_get_inputs(self, m, pis):
10071 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10072 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10074 def get_score_functor(self, *args):
10076 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10077 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10079 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10082 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10083 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10086 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10087 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10089 def get_version_info(self):
10090 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10091 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10092 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10095 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10096 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10098 def __repr__(self):
10099 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10100 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10104 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10107 def _get_as_binary(self):
10108 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10109 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10111 def _set_from_binary(self, p):
10112 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10113 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10115 def __getstate__(self):
10116 p = self._get_as_binary()
10117 if len(self.__dict__) > 1:
10118 d = self.__dict__.copy()
10123 def __setstate__(self, p):
10124 if not hasattr(self,
'this'):
10126 if isinstance(p, tuple):
10128 self.__dict__.update(d)
10129 return self._set_from_binary(p)
10132 def _get_jax(self, m, indexes):
10133 import jax.numpy
as jnp
10135 def jax_score(jm, d, k):
10136 xyzs = jm[
'xyz'][indexes]
10137 rs = jm[
'r'][indexes]
10138 diff = xyzs[:,0] - xyzs[:,1]
10139 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10140 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10141 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10142 return self._wrap_jax(m, f)
10146 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10147 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10148 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10150 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10152 def __init__(self, d0, k):
10153 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10154 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10156 def get_rest_length(self):
10157 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10158 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10160 def get_stiffness(self):
10161 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10162 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10164 def do_get_inputs(self, m, pis):
10165 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10166 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10168 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10169 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"""
10170 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10172 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10173 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"""
10174 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10176 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10177 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"""
10178 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10180 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10181 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"""
10182 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10184 def get_version_info(self):
10185 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10186 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10187 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10190 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10191 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10193 def __repr__(self):
10194 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10195 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10199 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10203 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10205 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10207 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10209 def __init__(self, *args):
10211 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10212 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10214 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10216 def do_get_inputs(self, m, pis):
10217 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10218 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10220 def get_score_functor(self, *args):
10222 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10223 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10225 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10228 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10229 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10232 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10233 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10235 def get_version_info(self):
10236 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10237 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10238 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10241 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10242 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10244 def __repr__(self):
10245 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10246 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10250 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10253 def _get_as_binary(self):
10254 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10255 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10257 def _set_from_binary(self, p):
10258 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10259 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10261 def __getstate__(self):
10262 p = self._get_as_binary()
10263 if len(self.__dict__) > 1:
10264 d = self.__dict__.copy()
10269 def __setstate__(self, p):
10270 if not hasattr(self,
'this'):
10272 if isinstance(p, tuple):
10274 self.__dict__.update(d)
10275 return self._set_from_binary(p)
10278 def _get_jax(self, m, indexes):
10279 import jax.numpy
as jnp
10280 def jax_score(jm, d, k):
10281 xyzs = jm[
'xyz'][indexes]
10282 rs = jm[
'r'][indexes]
10283 diff = xyzs[:,0] - xyzs[:,1]
10284 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10285 return 0.5 * k * (d - drs)**2
10286 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10287 return self._wrap_jax(m, f)
10291 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10293 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10295 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10297 def __init__(self, *args):
10298 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10299 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10301 def do_get_inputs(self, m, pis):
10302 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10303 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10305 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10306 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"""
10307 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10309 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10310 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"""
10311 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10313 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10314 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"""
10315 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10317 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10318 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"""
10319 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10321 def get_version_info(self):
10322 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10323 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10324 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10327 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10328 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10330 def __repr__(self):
10331 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10332 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10336 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10340 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10342 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10344 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10346 def __init__(self, *args):
10347 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10348 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10350 def do_get_inputs(self, m, pis):
10351 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10352 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10354 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10355 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"""
10356 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10358 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10359 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"""
10360 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10362 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10363 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"""
10364 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10366 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10367 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"""
10368 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10370 def get_version_info(self):
10371 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10372 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10373 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10376 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10377 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10379 def __repr__(self):
10380 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10381 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10385 return _object_cast_to_WeightedSphereDistancePairScore(o)
10389 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10391 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10393 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10395 def __init__(self, *args):
10397 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10398 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10400 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10402 def do_get_inputs(self, m, pis):
10403 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10404 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10406 def get_score_functor(self, *args):
10408 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10409 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10411 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10414 r"""get_k(SoftSpherePairScore self) -> double"""
10415 return _IMP_core.SoftSpherePairScore_get_k(self)
10417 def get_version_info(self):
10418 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10419 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10420 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10423 r"""__str__(SoftSpherePairScore self) -> std::string"""
10424 return _IMP_core.SoftSpherePairScore___str__(self)
10426 def __repr__(self):
10427 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10428 return _IMP_core.SoftSpherePairScore___repr__(self)
10432 return _object_cast_to_SoftSpherePairScore(o)
10435 def _get_as_binary(self):
10436 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10437 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10439 def _set_from_binary(self, p):
10440 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10441 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10443 def __getstate__(self):
10444 p = self._get_as_binary()
10445 if len(self.__dict__) > 1:
10446 d = self.__dict__.copy()
10451 def __setstate__(self, p):
10452 if not hasattr(self,
'this'):
10454 if isinstance(p, tuple):
10456 self.__dict__.update(d)
10457 return self._set_from_binary(p)
10460 def _get_jax(self, m, indexes):
10461 import jax.numpy
as jnp
10463 def jax_score(jm, k):
10464 xyzs = jm[
'xyz'][indexes]
10465 rs = jm[
'r'][indexes]
10466 diff = xyzs[:,0] - xyzs[:,1]
10467 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10468 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10469 f = functools.partial(jax_score, k=self.get_k())
10470 return self._wrap_jax(m, f)
10474 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10476 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10478 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10480 def __init__(self, *args):
10481 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10482 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10484 def do_get_inputs(self, m, pis):
10485 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10486 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10488 def get_version_info(self):
10489 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10490 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10491 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10494 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10495 return _IMP_core.SurfaceDistancePairScore___str__(self)
10497 def __repr__(self):
10498 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10499 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10503 return _object_cast_to_SurfaceDistancePairScore(o)
10507 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10509 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10511 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10513 def __init__(self, *args):
10514 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10515 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10517 def do_get_inputs(self, m, pis):
10518 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10519 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10521 def get_version_info(self):
10522 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10523 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10524 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10527 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10528 return _IMP_core.SurfaceHeightPairScore___str__(self)
10530 def __repr__(self):
10531 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10532 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10536 return _object_cast_to_SurfaceHeightPairScore(o)
10540 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10542 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10544 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10546 def __init__(self, *args):
10547 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10548 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10550 def do_get_inputs(self, m, pis):
10551 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10552 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10554 def get_version_info(self):
10555 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10556 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10557 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10560 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10561 return _IMP_core.SurfaceDepthPairScore___str__(self)
10563 def __repr__(self):
10564 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10565 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10569 return _object_cast_to_SurfaceDepthPairScore(o)
10573 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10575 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10577 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10579 def __init__(self, *args):
10580 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10581 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10583 def do_get_inputs(self, m, pis):
10584 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10585 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10587 def get_version_info(self):
10588 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10589 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10590 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10593 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10594 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10596 def __repr__(self):
10597 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10598 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10602 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10606 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10608 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10612 def __init__(self, *args):
10613 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10614 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10616 def do_get_inputs(self, m, pis):
10617 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10618 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10620 def get_version_info(self):
10621 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10622 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10623 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10626 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10627 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10629 def __repr__(self):
10630 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10631 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10635 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10639 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10641 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10643 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10645 def __init__(self, *args):
10646 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10647 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10649 def do_get_inputs(self, m, pis):
10650 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10651 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10653 def get_version_info(self):
10654 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10655 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10656 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10659 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10660 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10662 def __repr__(self):
10663 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10664 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10668 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10672 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10674 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10676 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10678 def __init__(self, *args):
10679 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10680 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10682 def do_get_inputs(self, m, pis):
10683 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10684 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10686 def get_version_info(self):
10687 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10688 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10689 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10692 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10693 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10695 def __repr__(self):
10696 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10697 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10701 return _object_cast_to_SoftSuperSurfacePairScore(o)
10705 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10707 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10709 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10711 def __init__(self, *args):
10712 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10713 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10715 def do_get_inputs(self, m, pis):
10716 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10717 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10719 def get_version_info(self):
10720 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10721 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10722 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10725 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10726 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10728 def __repr__(self):
10729 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10730 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10734 return _object_cast_to_SoftSubSurfacePairScore(o)
10738 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10740 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10742 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10744 def __init__(self, link_num, link_length):
10745 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10746 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10748 def get_version_info(self):
10749 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10750 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10751 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10753 def get_link_number(self):
10754 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10755 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10757 def get_link_length(self):
10758 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10759 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10761 def set_link_number(self, N):
10762 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10763 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10765 def set_link_length(self, b):
10766 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10767 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10769 def get_distance_at_minimum(self):
10770 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10771 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10773 def get_average_distance(self):
10774 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10775 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10778 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10779 return _IMP_core.SurfaceTetheredChain___str__(self)
10781 def __repr__(self):
10782 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10783 return _IMP_core.SurfaceTetheredChain___repr__(self)
10787 return _object_cast_to_SurfaceTetheredChain(o)
10791 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10793 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10795 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10797 def __init__(self, m, ss, rbs):
10798 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10799 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10801 def do_get_inputs(self):
10802 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10803 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10805 def do_get_outputs(self):
10806 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10807 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10809 def get_version_info(self):
10810 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10811 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10812 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10815 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10816 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10818 def __repr__(self):
10819 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10820 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10824 return _object_cast_to_SurfaceSymmetryConstraint(o)
10828 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10830 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10832 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10834 def __init__(self, *args):
10835 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10836 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10838 def do_optimize(self, max_steps):
10839 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10840 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10842 def get_version_info(self):
10843 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10844 return _IMP_core.SteepestDescent_get_version_info(self)
10845 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10847 def set_threshold(self, t):
10848 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10849 return _IMP_core.SteepestDescent_set_threshold(self, t)
10851 def set_step_size(self, t):
10852 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10853 return _IMP_core.SteepestDescent_set_step_size(self, t)
10855 def set_maximum_step_size(self, t):
10856 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10857 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10860 r"""__str__(SteepestDescent self) -> std::string"""
10861 return _IMP_core.SteepestDescent___str__(self)
10863 def __repr__(self):
10864 r"""__repr__(SteepestDescent self) -> std::string"""
10865 return _IMP_core.SteepestDescent___repr__(self)
10869 return _object_cast_to_SteepestDescent(o)
10873 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10875 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10879 def __init__(self, f, transformation):
10880 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10881 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10883 def set_transformation(self, rot):
10884 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10885 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10887 def do_get_inputs(self, m, pis):
10888 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10889 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10891 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10892 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"""
10893 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10895 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10896 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"""
10897 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10899 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10900 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"""
10901 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10903 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10904 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"""
10905 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10907 def get_version_info(self):
10908 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10909 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10910 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10913 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10914 return _IMP_core.TransformedDistancePairScore___str__(self)
10916 def __repr__(self):
10917 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10918 return _IMP_core.TransformedDistancePairScore___repr__(self)
10922 return _object_cast_to_TransformedDistancePairScore(o)
10926 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10928 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10930 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10932 def __init__(self, typekey, allow_invalid_types=True):
10933 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10934 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10936 def set_particle_type(self, arg2):
10937 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10938 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10940 def set_pair_score(self, ps, atype, btype):
10941 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10942 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10944 def do_get_inputs(self, m, pis):
10945 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10946 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10948 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10949 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"""
10950 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10952 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10953 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"""
10954 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10956 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10957 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"""
10958 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10960 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10961 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"""
10962 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10964 def get_version_info(self):
10965 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10966 return _IMP_core.TypedPairScore_get_version_info(self)
10967 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10970 r"""__str__(TypedPairScore self) -> std::string"""
10971 return _IMP_core.TypedPairScore___str__(self)
10973 def __repr__(self):
10974 r"""__repr__(TypedPairScore self) -> std::string"""
10975 return _IMP_core.TypedPairScore___repr__(self)
10979 return _object_cast_to_TypedPairScore(o)
10983 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10984 class RigidBodyDistancePairScore(KClosePairsPairScore):
10985 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10987 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10989 def __init__(self, ps, r):
10990 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10991 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10994 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10995 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10997 def __repr__(self):
10998 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10999 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11003 return _object_cast_to_RigidBodyDistancePairScore(o)
11005 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11008 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11010 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11012 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11014 def __init__(self, f):
11015 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11016 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11018 def do_get_inputs(self, m, pis):
11019 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11020 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11022 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11023 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"""
11024 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11026 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11027 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"""
11028 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11030 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11031 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"""
11032 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11034 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11035 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"""
11036 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11038 def get_version_info(self):
11039 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11040 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11041 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11044 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11045 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11047 def __repr__(self):
11048 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11049 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11053 return _object_cast_to_RigidBodyAnglePairScore(o)
11057 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11059 r"""Proxy of C++ IMP::core::TableRefiner class."""
11061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11063 def __init__(self):
11064 r"""__init__(TableRefiner self) -> TableRefiner"""
11065 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11068 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11069 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11071 def remove_particle(self, p):
11072 r"""remove_particle(TableRefiner self, Particle p)"""
11073 return _IMP_core.TableRefiner_remove_particle(self, p)
11075 def set_particle(self, p, ps):
11076 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11077 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11079 def do_get_inputs(self, m, pis):
11080 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11081 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11083 def get_version_info(self):
11084 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11085 return _IMP_core.TableRefiner_get_version_info(self)
11086 __swig_destroy__ = _IMP_core.delete_TableRefiner
11089 r"""__str__(TableRefiner self) -> std::string"""
11090 return _IMP_core.TableRefiner___str__(self)
11092 def __repr__(self):
11093 r"""__repr__(TableRefiner self) -> std::string"""
11094 return _IMP_core.TableRefiner___repr__(self)
11098 return _object_cast_to_TableRefiner(o)
11102 _IMP_core.TableRefiner_swigregister(TableRefiner)
11103 LOWER = _IMP_core.LOWER
11105 BOTH = _IMP_core.BOTH
11107 UPPER = _IMP_core.UPPER
11110 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11114 def __init__(self, *args):
11115 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11116 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11118 def set_bounding_box(self, bb):
11119 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11120 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11122 def set_number_of_attempts(self, att):
11123 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11124 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11126 def set_number_of_monte_carlo_steps(self, cg):
11127 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11128 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11130 def set_number_of_conjugate_gradient_steps(self, cg):
11131 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11132 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11134 def set_max_monte_carlo_step_size(self, *args):
11136 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11137 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11139 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11141 def set_is_refining(self, tf):
11142 r"""set_is_refining(MCCGSampler self, bool tf)"""
11143 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11145 def set_local_optimizer(self, opt):
11146 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11147 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11149 def set_save_rejected_configurations(self, tf):
11150 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11151 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11153 def get_rejected_configurations(self):
11154 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11155 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11156 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)
11157 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11158 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11159 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11161 def remove_optimizer_state(self, d):
11162 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11163 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11165 def _python_index_optimizer_state(self, d, start, stop):
11166 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11167 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11169 def remove_optimizer_states(self, d):
11170 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11171 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11173 def set_optimizer_states(self, ps):
11174 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11175 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11177 def set_optimizer_states_order(self, objs):
11178 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11179 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11181 def add_optimizer_state(self, obj):
11182 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11183 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11185 def add_optimizer_states(self, objs):
11186 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11187 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11189 def clear_optimizer_states(self):
11190 r"""clear_optimizer_states(MCCGSampler self)"""
11191 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11193 def get_number_of_optimizer_states(self):
11194 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11195 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11197 def get_has_optimizer_states(self):
11198 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11199 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11201 def get_optimizer_state(self, i):
11202 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11203 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11205 def get_optimizer_states(self):
11206 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11207 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11209 def erase_optimizer_state(self, i):
11210 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11211 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11213 def reserve_optimizer_states(self, sz):
11214 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11215 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11217 def do_sample(self):
11218 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11219 return _IMP_core.MCCGSampler_do_sample(self)
11221 def get_version_info(self):
11222 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11223 return _IMP_core.MCCGSampler_get_version_info(self)
11224 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11227 r"""__str__(MCCGSampler self) -> std::string"""
11228 return _IMP_core.MCCGSampler___str__(self)
11230 def __repr__(self):
11231 r"""__repr__(MCCGSampler self) -> std::string"""
11232 return _IMP_core.MCCGSampler___repr__(self)
11236 return _object_cast_to_MCCGSampler(o)
11240 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11242 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11246 def __init__(self, *args):
11247 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11248 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11250 def do_get_inputs(self):
11251 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11252 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11254 def get_version_info(self):
11255 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11256 return _IMP_core.MinimumRestraint_get_version_info(self)
11257 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11258 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)
11259 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11260 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11261 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11263 def remove_restraint(self, d):
11264 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11265 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11267 def _python_index_restraint(self, d, start, stop):
11268 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11269 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11271 def remove_restraints(self, d):
11272 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11273 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11275 def set_restraints(self, ps):
11276 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11277 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11279 def set_restraints_order(self, objs):
11280 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11281 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11284 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11285 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11288 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11289 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11291 def clear_restraints(self):
11292 r"""clear_restraints(MinimumRestraint self)"""
11293 return _IMP_core.MinimumRestraint_clear_restraints(self)
11295 def get_number_of_restraints(self):
11296 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11297 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11299 def get_has_restraints(self):
11300 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11301 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11303 def get_restraint(self, i):
11304 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11305 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11307 def get_restraints(self):
11308 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11309 return _IMP_core.MinimumRestraint_get_restraints(self)
11311 def erase_restraint(self, i):
11312 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11313 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11315 def reserve_restraints(self, sz):
11316 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11317 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11320 r"""__str__(MinimumRestraint self) -> std::string"""
11321 return _IMP_core.MinimumRestraint___str__(self)
11323 def __repr__(self):
11324 r"""__repr__(MinimumRestraint self) -> std::string"""
11325 return _IMP_core.MinimumRestraint___repr__(self)
11329 return _object_cast_to_MinimumRestraint(o)
11333 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11334 class Gaussian(RigidBody):
11335 r"""Proxy of C++ IMP::core::Gaussian class."""
11337 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11339 def __init__(self, *args):
11341 __init__(Gaussian self) -> Gaussian
11342 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11343 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11345 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11347 def show(self, *args):
11348 r"""show(Gaussian self, _ostream out=std::cout)"""
11349 return _IMP_core.Gaussian_show(self, *args)
11352 def setup_particle(*args):
11354 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11355 setup_particle(_ParticleAdaptor pa) -> Gaussian
11356 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11357 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11359 return _IMP_core.Gaussian_setup_particle(*args)
11362 def get_local_covariance_key():
11363 r"""get_local_covariance_key() -> ObjectKey"""
11364 return _IMP_core.Gaussian_get_local_covariance_key()
11367 def get_global_covariance_key():
11368 r"""get_global_covariance_key() -> ObjectKey"""
11369 return _IMP_core.Gaussian_get_global_covariance_key()
11372 def get_is_setup(*args):
11374 get_is_setup(_ParticleAdaptor p) -> bool
11375 get_is_setup(Model m, ParticleIndex pi) -> bool
11377 return _IMP_core.Gaussian_get_is_setup(*args)
11379 def get_local_covariance(self):
11380 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11381 return _IMP_core.Gaussian_get_local_covariance(self)
11383 def get_variances(self):
11384 r"""get_variances(Gaussian self) -> Vector3D"""
11385 return _IMP_core.Gaussian_get_variances(self)
11387 def get_global_covariance(self):
11388 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11389 return _IMP_core.Gaussian_get_global_covariance(self)
11391 def get_gaussian(self):
11392 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11393 return _IMP_core.Gaussian_get_gaussian(self)
11395 def set_gaussian(self, g):
11396 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11397 return _IMP_core.Gaussian_set_gaussian(self, g)
11399 def set_local_covariance(self, covar):
11400 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11401 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11403 def set_variances(self, v):
11404 r"""set_variances(Gaussian self, Vector3D v)"""
11405 return _IMP_core.Gaussian_set_variances(self, v)
11407 def set_global_covariance(self, covar):
11408 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11409 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11411 def update_global_covariance(self):
11412 r"""update_global_covariance(Gaussian self)"""
11413 return _IMP_core.Gaussian_update_global_covariance(self)
11415 def add_attribute(self, *args):
11417 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11418 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11419 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11420 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11421 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11422 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11423 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11424 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11425 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11426 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11427 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11428 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11430 return _IMP_core.Gaussian_add_attribute(self, *args)
11432 def get_value(self, *args):
11434 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11435 get_value(Gaussian self, IntKey a0) -> IMP::Int
11436 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11437 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11438 get_value(Gaussian self, StringKey a0) -> IMP::String
11439 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11440 get_value(Gaussian self, ObjectKey a0) -> Object
11441 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11442 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11443 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11444 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11446 return _IMP_core.Gaussian_get_value(self, *args)
11448 def set_value(self, *args):
11450 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11451 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11452 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11453 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11454 set_value(Gaussian self, StringKey a0, IMP::String a1)
11455 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11456 set_value(Gaussian self, ObjectKey a0, Object a1)
11457 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11458 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11459 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11460 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11462 return _IMP_core.Gaussian_set_value(self, *args)
11464 def remove_attribute(self, *args):
11466 remove_attribute(Gaussian self, FloatKey a0)
11467 remove_attribute(Gaussian self, IntKey a0)
11468 remove_attribute(Gaussian self, FloatsKey a0)
11469 remove_attribute(Gaussian self, IntsKey a0)
11470 remove_attribute(Gaussian self, StringKey a0)
11471 remove_attribute(Gaussian self, ParticleIndexKey a0)
11472 remove_attribute(Gaussian self, ObjectKey a0)
11473 remove_attribute(Gaussian self, SparseFloatKey a0)
11474 remove_attribute(Gaussian self, SparseIntKey a0)
11475 remove_attribute(Gaussian self, SparseStringKey a0)
11476 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11478 return _IMP_core.Gaussian_remove_attribute(self, *args)
11480 def has_attribute(self, *args):
11482 has_attribute(Gaussian self, FloatKey a0) -> bool
11483 has_attribute(Gaussian self, IntKey a0) -> bool
11484 has_attribute(Gaussian self, FloatsKey a0) -> bool
11485 has_attribute(Gaussian self, IntsKey a0) -> bool
11486 has_attribute(Gaussian self, StringKey a0) -> bool
11487 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11488 has_attribute(Gaussian self, ObjectKey a0) -> bool
11489 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11490 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11491 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11492 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11494 return _IMP_core.Gaussian_has_attribute(self, *args)
11496 def get_derivative(self, a0):
11497 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11498 return _IMP_core.Gaussian_get_derivative(self, a0)
11500 def get_name(self):
11501 r"""get_name(Gaussian self) -> std::string"""
11502 return _IMP_core.Gaussian_get_name(self)
11504 def clear_caches(self):
11505 r"""clear_caches(Gaussian self)"""
11506 return _IMP_core.Gaussian_clear_caches(self)
11508 def set_name(self, a0):
11509 r"""set_name(Gaussian self, std::string a0)"""
11510 return _IMP_core.Gaussian_set_name(self, a0)
11513 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11514 return _IMP_core.Gaussian_set_check_level(self, a0)
11516 def add_to_derivative(self, a0, a1, a2):
11517 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11518 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11520 def set_is_optimized(self, a0, a1):
11521 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11522 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11524 def get_is_optimized(self, a0):
11525 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11526 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11529 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11530 return _IMP_core.Gaussian_get_check_level(self)
11532 def __eq__(self, *args):
11534 __eq__(Gaussian self, Gaussian o) -> bool
11535 __eq__(Gaussian self, Particle d) -> bool
11537 return _IMP_core.Gaussian___eq__(self, *args)
11539 def __ne__(self, *args):
11541 __ne__(Gaussian self, Gaussian o) -> bool
11542 __ne__(Gaussian self, Particle d) -> bool
11544 return _IMP_core.Gaussian___ne__(self, *args)
11546 def __le__(self, *args):
11548 __le__(Gaussian self, Gaussian o) -> bool
11549 __le__(Gaussian self, Particle d) -> bool
11551 return _IMP_core.Gaussian___le__(self, *args)
11553 def __lt__(self, *args):
11555 __lt__(Gaussian self, Gaussian o) -> bool
11556 __lt__(Gaussian self, Particle d) -> bool
11558 return _IMP_core.Gaussian___lt__(self, *args)
11560 def __ge__(self, *args):
11562 __ge__(Gaussian self, Gaussian o) -> bool
11563 __ge__(Gaussian self, Particle d) -> bool
11565 return _IMP_core.Gaussian___ge__(self, *args)
11567 def __gt__(self, *args):
11569 __gt__(Gaussian self, Gaussian o) -> bool
11570 __gt__(Gaussian self, Particle d) -> bool
11572 return _IMP_core.Gaussian___gt__(self, *args)
11574 def __hash__(self):
11575 r"""__hash__(Gaussian self) -> std::size_t"""
11576 return _IMP_core.Gaussian___hash__(self)
11579 r"""__str__(Gaussian self) -> std::string"""
11580 return _IMP_core.Gaussian___str__(self)
11582 def __repr__(self):
11583 r"""__repr__(Gaussian self) -> std::string"""
11584 return _IMP_core.Gaussian___repr__(self)
11586 def _get_as_binary(self):
11587 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11588 return _IMP_core.Gaussian__get_as_binary(self)
11590 def _set_from_binary(self, p):
11591 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11592 return _IMP_core.Gaussian__set_from_binary(self, p)
11594 def __getstate__(self):
11595 p = self._get_as_binary()
11596 if len(self.__dict__) > 1:
11597 d = self.__dict__.copy()
11602 def __setstate__(self, p):
11603 if not hasattr(self,
'this'):
11605 if isinstance(p, tuple):
11607 self.__dict__.update(d)
11608 return self._set_from_binary(p)
11610 __swig_destroy__ = _IMP_core.delete_Gaussian
11613 _IMP_core.Gaussian_swigregister(Gaussian)
11615 r"""Proxy of C++ IMP::core::PairRestraint class."""
11617 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11619 def __init__(self, *args):
11621 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11622 __init__(PairRestraint self) -> PairRestraint
11624 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11626 def get_score_object(self):
11627 r"""get_score_object(PairRestraint self) -> PairScore"""
11628 return _IMP_core.PairRestraint_get_score_object(self)
11631 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11632 return _IMP_core.PairRestraint_get_index(self)
11634 def get_version_info(self):
11635 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11636 return _IMP_core.PairRestraint_get_version_info(self)
11637 __swig_destroy__ = _IMP_core.delete_PairRestraint
11640 r"""__str__(PairRestraint self) -> std::string"""
11641 return _IMP_core.PairRestraint___str__(self)
11643 def __repr__(self):
11644 r"""__repr__(PairRestraint self) -> std::string"""
11645 return _IMP_core.PairRestraint___repr__(self)
11649 return _object_cast_to_PairRestraint(o)
11652 def _get_as_binary(self):
11653 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11654 return _IMP_core.PairRestraint__get_as_binary(self)
11656 def _set_from_binary(self, p):
11657 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11658 return _IMP_core.PairRestraint__set_from_binary(self, p)
11660 def __getstate__(self):
11661 p = self._get_as_binary()
11662 if len(self.__dict__) > 1:
11663 d = self.__dict__.copy()
11668 def __setstate__(self, p):
11669 if not hasattr(self,
'this'):
11671 if isinstance(p, tuple):
11673 self.__dict__.update(d)
11674 return self._set_from_binary(p)
11677 def _get_jax(self):
11678 from .
import _jax_util
11679 return _jax_util._get_jax_restraint(self)
11683 _IMP_core.PairRestraint_swigregister(PairRestraint)
11685 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11689 def __init__(self, *args):
11691 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11692 __init__(SingletonRestraint self) -> SingletonRestraint
11694 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11696 def get_score_object(self):
11697 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11698 return _IMP_core.SingletonRestraint_get_score_object(self)
11701 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11702 return _IMP_core.SingletonRestraint_get_index(self)
11704 def get_version_info(self):
11705 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11706 return _IMP_core.SingletonRestraint_get_version_info(self)
11707 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11710 r"""__str__(SingletonRestraint self) -> std::string"""
11711 return _IMP_core.SingletonRestraint___str__(self)
11713 def __repr__(self):
11714 r"""__repr__(SingletonRestraint self) -> std::string"""
11715 return _IMP_core.SingletonRestraint___repr__(self)
11719 return _object_cast_to_SingletonRestraint(o)
11722 def _get_as_binary(self):
11723 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11724 return _IMP_core.SingletonRestraint__get_as_binary(self)
11726 def _set_from_binary(self, p):
11727 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11728 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11730 def __getstate__(self):
11731 p = self._get_as_binary()
11732 if len(self.__dict__) > 1:
11733 d = self.__dict__.copy()
11738 def __setstate__(self, p):
11739 if not hasattr(self,
'this'):
11741 if isinstance(p, tuple):
11743 self.__dict__.update(d)
11744 return self._set_from_binary(p)
11747 def _get_jax(self):
11748 from .
import _jax_util
11749 return _jax_util._get_jax_restraint(self)
11753 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11755 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11757 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11759 def __init__(self, *args):
11761 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11762 __init__(TripletRestraint self) -> TripletRestraint
11764 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11766 def get_score_object(self):
11767 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11768 return _IMP_core.TripletRestraint_get_score_object(self)
11771 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11772 return _IMP_core.TripletRestraint_get_index(self)
11774 def get_version_info(self):
11775 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11776 return _IMP_core.TripletRestraint_get_version_info(self)
11777 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11780 r"""__str__(TripletRestraint self) -> std::string"""
11781 return _IMP_core.TripletRestraint___str__(self)
11783 def __repr__(self):
11784 r"""__repr__(TripletRestraint self) -> std::string"""
11785 return _IMP_core.TripletRestraint___repr__(self)
11789 return _object_cast_to_TripletRestraint(o)
11792 def _get_as_binary(self):
11793 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11794 return _IMP_core.TripletRestraint__get_as_binary(self)
11796 def _set_from_binary(self, p):
11797 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11798 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11800 def __getstate__(self):
11801 p = self._get_as_binary()
11802 if len(self.__dict__) > 1:
11803 d = self.__dict__.copy()
11808 def __setstate__(self, p):
11809 if not hasattr(self,
'this'):
11811 if isinstance(p, tuple):
11813 self.__dict__.update(d)
11814 return self._set_from_binary(p)
11818 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11820 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11822 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11824 def __init__(self, *args):
11826 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11827 __init__(QuadRestraint self) -> QuadRestraint
11829 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11831 def get_score_object(self):
11832 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11833 return _IMP_core.QuadRestraint_get_score_object(self)
11836 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11837 return _IMP_core.QuadRestraint_get_index(self)
11839 def get_version_info(self):
11840 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11841 return _IMP_core.QuadRestraint_get_version_info(self)
11842 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11845 r"""__str__(QuadRestraint self) -> std::string"""
11846 return _IMP_core.QuadRestraint___str__(self)
11848 def __repr__(self):
11849 r"""__repr__(QuadRestraint self) -> std::string"""
11850 return _IMP_core.QuadRestraint___repr__(self)
11854 return _object_cast_to_QuadRestraint(o)
11857 def _get_as_binary(self):
11858 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11859 return _IMP_core.QuadRestraint__get_as_binary(self)
11861 def _set_from_binary(self, p):
11862 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11863 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11865 def __getstate__(self):
11866 p = self._get_as_binary()
11867 if len(self.__dict__) > 1:
11868 d = self.__dict__.copy()
11873 def __setstate__(self, p):
11874 if not hasattr(self,
'this'):
11876 if isinstance(p, tuple):
11878 self.__dict__.update(d)
11879 return self._set_from_binary(p)
11883 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11885 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11887 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11889 def __init__(self, *args):
11891 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11892 __init__(SingletonConstraint self) -> SingletonConstraint
11894 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11896 def get_before_modifier(self):
11897 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11898 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11901 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11902 return _IMP_core.SingletonConstraint_get_index(self)
11904 def get_version_info(self):
11905 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11906 return _IMP_core.SingletonConstraint_get_version_info(self)
11907 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11910 r"""__str__(SingletonConstraint self) -> std::string"""
11911 return _IMP_core.SingletonConstraint___str__(self)
11913 def __repr__(self):
11914 r"""__repr__(SingletonConstraint self) -> std::string"""
11915 return _IMP_core.SingletonConstraint___repr__(self)
11919 return _object_cast_to_SingletonConstraint(o)
11922 def _get_as_binary(self):
11923 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11924 return _IMP_core.SingletonConstraint__get_as_binary(self)
11926 def _set_from_binary(self, p):
11927 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11928 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11930 def __getstate__(self):
11931 p = self._get_as_binary()
11932 if len(self.__dict__) > 1:
11933 d = self.__dict__.copy()
11938 def __setstate__(self, p):
11939 if not hasattr(self,
'this'):
11941 if isinstance(p, tuple):
11943 self.__dict__.update(d)
11944 return self._set_from_binary(p)
11947 def _get_jax(self):
11948 import jax.numpy
as jnp
11949 indexes = jnp.array([self.get_index()])
11950 mod = self.get_before_modifier().get_derived_object()
11951 ji = mod._get_jax(self.get_model(), indexes)
11952 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11956 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11958 r"""Proxy of C++ IMP::core::PairConstraint class."""
11960 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11962 def __init__(self, *args):
11964 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11965 __init__(PairConstraint self) -> PairConstraint
11967 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11969 def get_before_modifier(self):
11970 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11971 return _IMP_core.PairConstraint_get_before_modifier(self)
11974 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11975 return _IMP_core.PairConstraint_get_index(self)
11977 def get_version_info(self):
11978 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11979 return _IMP_core.PairConstraint_get_version_info(self)
11980 __swig_destroy__ = _IMP_core.delete_PairConstraint
11983 r"""__str__(PairConstraint self) -> std::string"""
11984 return _IMP_core.PairConstraint___str__(self)
11986 def __repr__(self):
11987 r"""__repr__(PairConstraint self) -> std::string"""
11988 return _IMP_core.PairConstraint___repr__(self)
11992 return _object_cast_to_PairConstraint(o)
11995 def _get_as_binary(self):
11996 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11997 return _IMP_core.PairConstraint__get_as_binary(self)
11999 def _set_from_binary(self, p):
12000 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12001 return _IMP_core.PairConstraint__set_from_binary(self, p)
12003 def __getstate__(self):
12004 p = self._get_as_binary()
12005 if len(self.__dict__) > 1:
12006 d = self.__dict__.copy()
12011 def __setstate__(self, p):
12012 if not hasattr(self,
'this'):
12014 if isinstance(p, tuple):
12016 self.__dict__.update(d)
12017 return self._set_from_binary(p)
12021 _IMP_core.PairConstraint_swigregister(PairConstraint)
12023 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12027 def __init__(self, *args):
12029 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12030 __init__(TripletConstraint self) -> TripletConstraint
12032 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12034 def get_before_modifier(self):
12035 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12036 return _IMP_core.TripletConstraint_get_before_modifier(self)
12039 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12040 return _IMP_core.TripletConstraint_get_index(self)
12042 def get_version_info(self):
12043 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12044 return _IMP_core.TripletConstraint_get_version_info(self)
12045 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12048 r"""__str__(TripletConstraint self) -> std::string"""
12049 return _IMP_core.TripletConstraint___str__(self)
12051 def __repr__(self):
12052 r"""__repr__(TripletConstraint self) -> std::string"""
12053 return _IMP_core.TripletConstraint___repr__(self)
12057 return _object_cast_to_TripletConstraint(o)
12060 def _get_as_binary(self):
12061 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12062 return _IMP_core.TripletConstraint__get_as_binary(self)
12064 def _set_from_binary(self, p):
12065 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12066 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12068 def __getstate__(self):
12069 p = self._get_as_binary()
12070 if len(self.__dict__) > 1:
12071 d = self.__dict__.copy()
12076 def __setstate__(self, p):
12077 if not hasattr(self,
'this'):
12079 if isinstance(p, tuple):
12081 self.__dict__.update(d)
12082 return self._set_from_binary(p)
12086 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12088 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12090 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12092 def __init__(self, *args):
12094 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12095 __init__(QuadConstraint self) -> QuadConstraint
12097 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12099 def get_before_modifier(self):
12100 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12101 return _IMP_core.QuadConstraint_get_before_modifier(self)
12104 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12105 return _IMP_core.QuadConstraint_get_index(self)
12107 def get_version_info(self):
12108 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12109 return _IMP_core.QuadConstraint_get_version_info(self)
12110 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12113 r"""__str__(QuadConstraint self) -> std::string"""
12114 return _IMP_core.QuadConstraint___str__(self)
12116 def __repr__(self):
12117 r"""__repr__(QuadConstraint self) -> std::string"""
12118 return _IMP_core.QuadConstraint___repr__(self)
12122 return _object_cast_to_QuadConstraint(o)
12125 def _get_as_binary(self):
12126 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12127 return _IMP_core.QuadConstraint__get_as_binary(self)
12129 def _set_from_binary(self, p):
12130 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12131 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12133 def __getstate__(self):
12134 p = self._get_as_binary()
12135 if len(self.__dict__) > 1:
12136 d = self.__dict__.copy()
12141 def __setstate__(self, p):
12142 if not hasattr(self,
'this'):
12144 if isinstance(p, tuple):
12146 self.__dict__.update(d)
12147 return self._set_from_binary(p)
12151 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12153 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12155 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12157 def __init__(self, *args):
12159 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12160 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12162 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12164 def do_get_inputs(self, arg2, arg3):
12165 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12166 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12168 def get_value(self, *args):
12170 get_value(ConstantSingletonPredicate self, Particle a) -> int
12171 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12173 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12175 def get_value_index(self, *args):
12177 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12178 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12180 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12182 def get_version_info(self):
12183 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12184 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12185 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12188 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12189 return _IMP_core.ConstantSingletonPredicate___str__(self)
12191 def __repr__(self):
12192 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12193 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12197 return _object_cast_to_ConstantSingletonPredicate(o)
12200 def _get_as_binary(self):
12201 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12202 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12204 def _set_from_binary(self, p):
12205 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12206 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12208 def __getstate__(self):
12209 p = self._get_as_binary()
12210 if len(self.__dict__) > 1:
12211 d = self.__dict__.copy()
12216 def __setstate__(self, p):
12217 if not hasattr(self,
'this'):
12219 if isinstance(p, tuple):
12221 self.__dict__.update(d)
12222 return self._set_from_binary(p)
12226 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12228 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12232 def __init__(self, *args):
12233 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12234 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12236 def do_get_inputs(self, m, pis):
12237 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12238 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12240 def get_value(self, *args):
12242 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12243 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12245 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12247 def get_value_index(self, *args):
12249 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12250 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12252 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12254 def get_version_info(self):
12255 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12256 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12257 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12260 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12261 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12263 def __repr__(self):
12264 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12265 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12269 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12272 def _get_as_binary(self):
12273 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12274 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12276 def _set_from_binary(self, p):
12277 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12278 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12280 def __getstate__(self):
12281 p = self._get_as_binary()
12282 if len(self.__dict__) > 1:
12283 d = self.__dict__.copy()
12288 def __setstate__(self, p):
12289 if not hasattr(self,
'this'):
12291 if isinstance(p, tuple):
12293 self.__dict__.update(d)
12294 return self._set_from_binary(p)
12298 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12300 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12304 def __init__(self, *args):
12305 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12306 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12308 def do_get_inputs(self, m, pis):
12309 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12310 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12312 def get_value(self, *args):
12314 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12315 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12316 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12318 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12320 def get_value_index(self, *args):
12322 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12323 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12325 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12327 def get_version_info(self):
12328 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12329 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12330 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12333 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12334 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12336 def __repr__(self):
12337 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12338 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12342 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12346 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12348 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12352 def __init__(self, *args):
12353 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12354 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12356 def do_get_inputs(self, arg2, arg3):
12357 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12358 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12360 def get_value(self, *args):
12362 get_value(AllSameSingletonPredicate self, Particle a) -> int
12363 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12365 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12367 def get_value_index(self, *args):
12369 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12370 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12372 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12374 def get_version_info(self):
12375 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12376 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12377 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12380 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12381 return _IMP_core.AllSameSingletonPredicate___str__(self)
12383 def __repr__(self):
12384 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12385 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12389 return _object_cast_to_AllSameSingletonPredicate(o)
12392 def _get_as_binary(self):
12393 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12394 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12396 def _set_from_binary(self, p):
12397 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12398 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12400 def __getstate__(self):
12401 p = self._get_as_binary()
12402 if len(self.__dict__) > 1:
12403 d = self.__dict__.copy()
12408 def __setstate__(self, p):
12409 if not hasattr(self,
'this'):
12411 if isinstance(p, tuple):
12413 self.__dict__.update(d)
12414 return self._set_from_binary(p)
12418 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12420 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12424 def __init__(self, *args):
12425 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12426 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12428 def do_get_inputs(self, arg2, arg3):
12429 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12430 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12432 def get_value(self, *args):
12434 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12435 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12437 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12439 def get_value_index(self, *args):
12441 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12442 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12444 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12446 def get_version_info(self):
12447 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12448 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12449 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12452 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12453 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12455 def __repr__(self):
12456 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12457 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12461 return _object_cast_to_CoinFlipSingletonPredicate(o)
12465 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12467 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12471 def __init__(self, *args):
12473 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12474 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12476 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12478 def do_get_inputs(self, arg2, arg3):
12479 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12480 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12482 def get_value(self, *args):
12484 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12485 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12487 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12489 def get_value_index(self, *args):
12491 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12492 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12494 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12496 def get_version_info(self):
12497 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12498 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12499 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12502 r"""__str__(ConstantPairPredicate self) -> std::string"""
12503 return _IMP_core.ConstantPairPredicate___str__(self)
12505 def __repr__(self):
12506 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12507 return _IMP_core.ConstantPairPredicate___repr__(self)
12511 return _object_cast_to_ConstantPairPredicate(o)
12514 def _get_as_binary(self):
12515 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12516 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12518 def _set_from_binary(self, p):
12519 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12520 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12522 def __getstate__(self):
12523 p = self._get_as_binary()
12524 if len(self.__dict__) > 1:
12525 d = self.__dict__.copy()
12530 def __setstate__(self, p):
12531 if not hasattr(self,
'this'):
12533 if isinstance(p, tuple):
12535 self.__dict__.update(d)
12536 return self._set_from_binary(p)
12540 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12542 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12544 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12546 def __init__(self, *args):
12547 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12548 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12550 def do_get_inputs(self, m, pis):
12551 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12552 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12554 def get_value(self, *args):
12556 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12557 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12559 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12561 def get_value_index(self, *args):
12563 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12564 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12566 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12568 def get_version_info(self):
12569 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12570 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12571 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12574 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12575 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12577 def __repr__(self):
12578 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12579 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12583 return _object_cast_to_UnorderedTypePairPredicate(o)
12586 def _get_as_binary(self):
12587 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12588 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12590 def _set_from_binary(self, p):
12591 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12592 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12594 def __getstate__(self):
12595 p = self._get_as_binary()
12596 if len(self.__dict__) > 1:
12597 d = self.__dict__.copy()
12602 def __setstate__(self, p):
12603 if not hasattr(self,
'this'):
12605 if isinstance(p, tuple):
12607 self.__dict__.update(d)
12608 return self._set_from_binary(p)
12612 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12614 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12616 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12618 def __init__(self, *args):
12619 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12620 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12622 def do_get_inputs(self, m, pis):
12623 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12624 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12626 def get_value(self, *args):
12628 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12629 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12630 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12632 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12634 def get_value_index(self, *args):
12636 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12637 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12639 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12641 def get_version_info(self):
12642 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12643 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12644 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12647 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12648 return _IMP_core.OrderedTypePairPredicate___str__(self)
12650 def __repr__(self):
12651 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12652 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12656 return _object_cast_to_OrderedTypePairPredicate(o)
12660 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12662 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12666 def __init__(self, *args):
12667 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12668 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12670 def do_get_inputs(self, arg2, arg3):
12671 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12672 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12674 def get_value(self, *args):
12676 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12677 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12679 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12681 def get_value_index(self, *args):
12683 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12684 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12686 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12688 def get_version_info(self):
12689 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12690 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12691 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12694 r"""__str__(AllSamePairPredicate self) -> std::string"""
12695 return _IMP_core.AllSamePairPredicate___str__(self)
12697 def __repr__(self):
12698 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12699 return _IMP_core.AllSamePairPredicate___repr__(self)
12703 return _object_cast_to_AllSamePairPredicate(o)
12706 def _get_as_binary(self):
12707 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12708 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12710 def _set_from_binary(self, p):
12711 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12712 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12714 def __getstate__(self):
12715 p = self._get_as_binary()
12716 if len(self.__dict__) > 1:
12717 d = self.__dict__.copy()
12722 def __setstate__(self, p):
12723 if not hasattr(self,
'this'):
12725 if isinstance(p, tuple):
12727 self.__dict__.update(d)
12728 return self._set_from_binary(p)
12732 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12734 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12738 def __init__(self, *args):
12739 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12740 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12742 def do_get_inputs(self, arg2, arg3):
12743 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12744 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12746 def get_value(self, *args):
12748 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12749 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12751 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12753 def get_value_index(self, *args):
12755 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12756 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12758 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12760 def get_version_info(self):
12761 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12762 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12763 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12766 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12767 return _IMP_core.CoinFlipPairPredicate___str__(self)
12769 def __repr__(self):
12770 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12771 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12775 return _object_cast_to_CoinFlipPairPredicate(o)
12779 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12781 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12783 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12785 def __init__(self, *args):
12787 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12788 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12790 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12792 def do_get_inputs(self, arg2, arg3):
12793 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12794 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12796 def get_value(self, *args):
12798 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12799 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12801 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12803 def get_value_index(self, *args):
12805 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12806 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12808 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12810 def get_version_info(self):
12811 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12812 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12813 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12816 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12817 return _IMP_core.ConstantTripletPredicate___str__(self)
12819 def __repr__(self):
12820 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12821 return _IMP_core.ConstantTripletPredicate___repr__(self)
12825 return _object_cast_to_ConstantTripletPredicate(o)
12828 def _get_as_binary(self):
12829 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12830 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12832 def _set_from_binary(self, p):
12833 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12834 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12836 def __getstate__(self):
12837 p = self._get_as_binary()
12838 if len(self.__dict__) > 1:
12839 d = self.__dict__.copy()
12844 def __setstate__(self, p):
12845 if not hasattr(self,
'this'):
12847 if isinstance(p, tuple):
12849 self.__dict__.update(d)
12850 return self._set_from_binary(p)
12854 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12856 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12858 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12860 def __init__(self, *args):
12861 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12862 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12864 def do_get_inputs(self, m, pis):
12865 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12866 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12868 def get_value(self, *args):
12870 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12871 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12873 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12875 def get_value_index(self, *args):
12877 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12878 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12880 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12882 def get_version_info(self):
12883 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12884 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12885 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12888 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12889 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12891 def __repr__(self):
12892 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12893 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12897 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12900 def _get_as_binary(self):
12901 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12902 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12904 def _set_from_binary(self, p):
12905 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12906 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12908 def __getstate__(self):
12909 p = self._get_as_binary()
12910 if len(self.__dict__) > 1:
12911 d = self.__dict__.copy()
12916 def __setstate__(self, p):
12917 if not hasattr(self,
'this'):
12919 if isinstance(p, tuple):
12921 self.__dict__.update(d)
12922 return self._set_from_binary(p)
12926 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12928 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12930 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12932 def __init__(self, *args):
12933 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12934 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12936 def do_get_inputs(self, m, pis):
12937 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12938 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12940 def get_value(self, *args):
12942 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12943 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12944 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12946 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12948 def get_value_index(self, *args):
12950 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12951 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12953 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12955 def get_version_info(self):
12956 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12957 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12958 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12961 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12962 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12964 def __repr__(self):
12965 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12966 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12970 return _object_cast_to_OrderedTypeTripletPredicate(o)
12974 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12976 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12980 def __init__(self, *args):
12981 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12982 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12984 def do_get_inputs(self, arg2, arg3):
12985 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12986 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12988 def get_value(self, *args):
12990 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12991 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12993 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12995 def get_value_index(self, *args):
12997 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12998 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13000 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13002 def get_version_info(self):
13003 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13004 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13005 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13008 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13009 return _IMP_core.AllSameTripletPredicate___str__(self)
13011 def __repr__(self):
13012 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13013 return _IMP_core.AllSameTripletPredicate___repr__(self)
13017 return _object_cast_to_AllSameTripletPredicate(o)
13020 def _get_as_binary(self):
13021 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13022 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13024 def _set_from_binary(self, p):
13025 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13026 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13028 def __getstate__(self):
13029 p = self._get_as_binary()
13030 if len(self.__dict__) > 1:
13031 d = self.__dict__.copy()
13036 def __setstate__(self, p):
13037 if not hasattr(self,
'this'):
13039 if isinstance(p, tuple):
13041 self.__dict__.update(d)
13042 return self._set_from_binary(p)
13046 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13048 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13052 def __init__(self, *args):
13053 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13054 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13056 def do_get_inputs(self, arg2, arg3):
13057 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13058 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13060 def get_value(self, *args):
13062 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13063 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13065 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13067 def get_value_index(self, *args):
13069 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13070 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13072 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13074 def get_version_info(self):
13075 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13076 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13077 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13080 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13081 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13083 def __repr__(self):
13084 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13085 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13089 return _object_cast_to_CoinFlipTripletPredicate(o)
13093 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13095 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13099 def __init__(self, *args):
13101 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13102 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13104 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13106 def do_get_inputs(self, arg2, arg3):
13107 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13108 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13110 def get_value(self, *args):
13112 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13113 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13115 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13117 def get_value_index(self, *args):
13119 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13120 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13122 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13124 def get_version_info(self):
13125 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13126 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13127 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13130 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13131 return _IMP_core.ConstantQuadPredicate___str__(self)
13133 def __repr__(self):
13134 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13135 return _IMP_core.ConstantQuadPredicate___repr__(self)
13139 return _object_cast_to_ConstantQuadPredicate(o)
13142 def _get_as_binary(self):
13143 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13144 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13146 def _set_from_binary(self, p):
13147 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13148 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13150 def __getstate__(self):
13151 p = self._get_as_binary()
13152 if len(self.__dict__) > 1:
13153 d = self.__dict__.copy()
13158 def __setstate__(self, p):
13159 if not hasattr(self,
'this'):
13161 if isinstance(p, tuple):
13163 self.__dict__.update(d)
13164 return self._set_from_binary(p)
13168 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13170 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13172 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13174 def __init__(self, *args):
13175 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13176 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13178 def do_get_inputs(self, m, pis):
13179 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13180 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13182 def get_value(self, *args):
13184 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13185 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13187 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13189 def get_value_index(self, *args):
13191 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13192 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13194 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13196 def get_version_info(self):
13197 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13198 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13199 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13202 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13203 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13205 def __repr__(self):
13206 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13207 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13211 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13214 def _get_as_binary(self):
13215 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13216 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13218 def _set_from_binary(self, p):
13219 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13220 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13222 def __getstate__(self):
13223 p = self._get_as_binary()
13224 if len(self.__dict__) > 1:
13225 d = self.__dict__.copy()
13230 def __setstate__(self, p):
13231 if not hasattr(self,
'this'):
13233 if isinstance(p, tuple):
13235 self.__dict__.update(d)
13236 return self._set_from_binary(p)
13240 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13242 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13246 def __init__(self, *args):
13247 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13248 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13250 def do_get_inputs(self, m, pis):
13251 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13252 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13254 def get_value(self, *args):
13256 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13257 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13258 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13260 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13262 def get_value_index(self, *args):
13264 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13265 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13267 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13269 def get_version_info(self):
13270 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13271 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13272 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13275 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13276 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13278 def __repr__(self):
13279 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13280 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13284 return _object_cast_to_OrderedTypeQuadPredicate(o)
13288 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13290 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13294 def __init__(self, *args):
13295 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13296 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13298 def do_get_inputs(self, arg2, arg3):
13299 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13300 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13302 def get_value(self, *args):
13304 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13305 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13307 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13309 def get_value_index(self, *args):
13311 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13312 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13314 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13316 def get_version_info(self):
13317 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13318 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13319 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13322 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13323 return _IMP_core.AllSameQuadPredicate___str__(self)
13325 def __repr__(self):
13326 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13327 return _IMP_core.AllSameQuadPredicate___repr__(self)
13331 return _object_cast_to_AllSameQuadPredicate(o)
13334 def _get_as_binary(self):
13335 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13336 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13338 def _set_from_binary(self, p):
13339 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13340 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13342 def __getstate__(self):
13343 p = self._get_as_binary()
13344 if len(self.__dict__) > 1:
13345 d = self.__dict__.copy()
13350 def __setstate__(self, p):
13351 if not hasattr(self,
'this'):
13353 if isinstance(p, tuple):
13355 self.__dict__.update(d)
13356 return self._set_from_binary(p)
13360 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13362 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13366 def __init__(self, *args):
13367 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13368 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13370 def do_get_inputs(self, arg2, arg3):
13371 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13372 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13374 def get_value(self, *args):
13376 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13377 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13379 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13381 def get_value_index(self, *args):
13383 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13384 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13386 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13388 def get_version_info(self):
13389 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13390 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13391 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13394 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13395 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13397 def __repr__(self):
13398 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13399 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13403 return _object_cast_to_CoinFlipQuadPredicate(o)
13407 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13409 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13411 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13413 def __init__(self, *args):
13414 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13415 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13417 def do_get_inputs(self, m, pi):
13418 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13419 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13421 def get_value(self, *args):
13423 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13424 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13426 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13428 def get_value_index(self, *args):
13430 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13431 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13433 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13435 def get_version_info(self):
13436 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13437 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13438 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13441 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13442 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13444 def __repr__(self):
13445 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13446 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13450 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13454 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13456 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13458 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13460 def __init__(self, *args):
13461 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13462 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13464 def do_get_inputs(self, m, pi):
13465 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13466 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13468 def get_value(self, *args):
13470 get_value(AttributeSingletonPredicate self, Particle a) -> int
13471 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13473 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13475 def get_value_index(self, *args):
13477 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13478 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13480 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13482 def get_version_info(self):
13483 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13484 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13485 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13488 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13489 return _IMP_core.AttributeSingletonPredicate___str__(self)
13491 def __repr__(self):
13492 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13493 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13497 return _object_cast_to_AttributeSingletonPredicate(o)
13501 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13503 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13505 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13507 def __init__(self, *args):
13508 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13509 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13511 def do_get_inputs(self, m, pi):
13512 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13513 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13515 def get_value(self, *args):
13517 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13518 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13520 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13522 def get_value_index(self, *args):
13524 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13525 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13527 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13529 def get_version_info(self):
13530 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13531 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13532 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13535 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13536 return _IMP_core.IsCollisionPairPredicate___str__(self)
13538 def __repr__(self):
13539 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13540 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13544 return _object_cast_to_IsCollisionPairPredicate(o)
13548 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13549 class AngleRestraint(TripletRestraint):
13550 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13552 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13554 def __init__(self, *args):
13556 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13557 __init__(AngleRestraint self) -> AngleRestraint
13559 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13560 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13563 r"""__str__(AngleRestraint self) -> std::string"""
13564 return _IMP_core.AngleRestraint___str__(self)
13566 def __repr__(self):
13567 r"""__repr__(AngleRestraint self) -> std::string"""
13568 return _IMP_core.AngleRestraint___repr__(self)
13572 return _object_cast_to_AngleRestraint(o)
13575 def _get_as_binary(self):
13576 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13577 return _IMP_core.AngleRestraint__get_as_binary(self)
13579 def _set_from_binary(self, p):
13580 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13581 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13583 def __getstate__(self):
13584 p = self._get_as_binary()
13585 if len(self.__dict__) > 1:
13586 d = self.__dict__.copy()
13591 def __setstate__(self, p):
13592 if not hasattr(self,
'this'):
13594 if isinstance(p, tuple):
13596 self.__dict__.update(d)
13597 return self._set_from_binary(p)
13601 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13602 class RigidBodyMover(MonteCarloMover):
13603 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13607 def __init__(self, *args):
13609 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13610 __init__(RigidBodyMover self) -> RigidBodyMover
13612 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13614 def set_maximum_translation(self, mt):
13615 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13616 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13618 def set_maximum_rotation(self, mr):
13619 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13620 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13622 def get_maximum_translation(self):
13623 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13624 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13626 def get_maximum_rotation(self):
13627 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13628 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13631 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13632 return _IMP_core.RigidBodyMover_get_index(self)
13634 def get_version_info(self):
13635 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13636 return _IMP_core.RigidBodyMover_get_version_info(self)
13637 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13640 r"""__str__(RigidBodyMover self) -> std::string"""
13641 return _IMP_core.RigidBodyMover___str__(self)
13643 def __repr__(self):
13644 r"""__repr__(RigidBodyMover self) -> std::string"""
13645 return _IMP_core.RigidBodyMover___repr__(self)
13649 return _object_cast_to_RigidBodyMover(o)
13652 def _get_as_binary(self):
13653 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13654 return _IMP_core.RigidBodyMover__get_as_binary(self)
13656 def _set_from_binary(self, p):
13657 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13658 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13660 def __getstate__(self):
13661 p = self._get_as_binary()
13662 if len(self.__dict__) > 1:
13663 d = self.__dict__.copy()
13668 def __setstate__(self, p):
13669 if not hasattr(self,
'this'):
13671 if isinstance(p, tuple):
13673 self.__dict__.update(d)
13674 return self._set_from_binary(p)
13677 def _get_jax(self):
13679 import IMP.core._jax_rigid
13680 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13681 get_random_vector_in_3d_sphere,
13682 get_rotation_about_normalized_axis,
13683 _quaternion_multiply)
13684 max_angle = self.get_maximum_rotation()
13685 max_translation = self.get_maximum_translation()
13686 particle_index = self.get_index()
13687 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13688 self.get_model(), self.get_index())
13690 def init_func(key):
13693 def propose_func(jm, key):
13694 body = jm[
'rigid_bodies'].bodies[body_index]
13695 tf = body.get_transformation(jm)
13697 if max_translation > 0:
13698 key, subkey = jax.random.split(key)
13699 tf.translation += get_random_vector_in_3d_sphere(
13700 subkey, max_translation)[0]
13702 key, subkey1, subkey2 = jax.random.split(key, 3)
13703 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13704 angle = jax.random.uniform(
13705 subkey2, minval=-max_angle, maxval=max_angle)
13707 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13708 jm = body.set_transformation_lazy(tf, jm)
13709 return jm, key, 1.0
13711 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13715 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13716 class RigidBodyTunneler(MonteCarloMover):
13717 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13721 def __init__(self, m, pis, ref, k, move_probability=1.):
13722 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13723 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13725 def add_entry_point(self, fl):
13726 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13727 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13729 def reset_stats(self):
13730 r"""reset_stats(RigidBodyTunneler self)"""
13731 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13733 def get_number_of_rejected_moves(self):
13734 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13735 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13737 def get_number_of_proposed_moves(self):
13738 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13739 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13741 def get_number_of_impossible_moves(self):
13742 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13743 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13745 def get_number_of_calls(self):
13746 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13747 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13750 def get_reduced_coordinates(*args):
13752 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13753 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13755 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13758 def set_reduced_coordinates(m, target, ref, coords):
13759 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13760 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13762 def get_version_info(self):
13763 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13764 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13765 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13768 r"""__str__(RigidBodyTunneler self) -> std::string"""
13769 return _IMP_core.RigidBodyTunneler___str__(self)
13771 def __repr__(self):
13772 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13773 return _IMP_core.RigidBodyTunneler___repr__(self)
13777 return _object_cast_to_RigidBodyTunneler(o)
13781 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13783 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13785 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13787 def __init__(self, *args):
13789 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13790 __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
13792 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13794 def set_x0(self, *args):
13796 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13797 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13799 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13802 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13803 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13806 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13807 return _IMP_core.RigidBodyUmbrella_get_x(self)
13809 def set_alpha(self, alpha):
13810 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13811 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13813 def set_k(self, k):
13814 r"""set_k(RigidBodyUmbrella self, double k)"""
13815 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13817 def get_version_info(self):
13818 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13819 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13820 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13823 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13824 return _IMP_core.RigidBodyUmbrella___str__(self)
13826 def __repr__(self):
13827 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13828 return _IMP_core.RigidBodyUmbrella___repr__(self)
13832 return _object_cast_to_RigidBodyUmbrella(o)
13836 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13838 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13842 def __init__(self, f, sc, volume):
13843 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13844 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13846 def do_get_inputs(self):
13847 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13848 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13850 def get_version_info(self):
13851 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13852 return _IMP_core.VolumeRestraint_get_version_info(self)
13853 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13856 r"""__str__(VolumeRestraint self) -> std::string"""
13857 return _IMP_core.VolumeRestraint___str__(self)
13859 def __repr__(self):
13860 r"""__repr__(VolumeRestraint self) -> std::string"""
13861 return _IMP_core.VolumeRestraint___repr__(self)
13865 return _object_cast_to_VolumeRestraint(o)
13869 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13872 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13873 return _IMP_core.get_centroid(ps)
13876 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13877 return _IMP_core.get_bounding_box(ps)
13879 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13881 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13883 def __init__(self, ps):
13884 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13885 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13887 def show_statistics(self, *args):
13888 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13889 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13892 r"""reset(MoveStatisticsScoreState self)"""
13893 return _IMP_core.MoveStatisticsScoreState_reset(self)
13895 def do_before_evaluate(self):
13896 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13897 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13899 def do_after_evaluate(self, da):
13900 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13901 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13903 def do_get_inputs(self):
13904 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13905 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13907 def do_get_outputs(self):
13908 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13909 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13911 def get_version_info(self):
13912 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13913 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13914 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13917 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13918 return _IMP_core.MoveStatisticsScoreState___str__(self)
13920 def __repr__(self):
13921 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13922 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13926 return _object_cast_to_MoveStatisticsScoreState(o)
13930 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13931 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13934 r"""Proxy of C++ IMP::core::Typed class."""
13936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13939 def get_type_key():
13940 r"""get_type_key() -> IntKey"""
13941 return _IMP_core.Typed_get_type_key()
13943 def __init__(self, *args):
13945 __init__(Typed self) -> Typed
13946 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13947 __init__(Typed self, _ParticleAdaptor d) -> Typed
13949 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13951 def show(self, *args):
13952 r"""show(Typed self, _ostream out=std::cout)"""
13953 return _IMP_core.Typed_show(self, *args)
13956 def setup_particle(*args):
13958 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13959 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13961 return _IMP_core.Typed_setup_particle(*args)
13964 def get_is_setup(*args):
13966 get_is_setup(_ParticleAdaptor p) -> bool
13967 get_is_setup(Model m, ParticleIndex pi) -> bool
13969 return _IMP_core.Typed_get_is_setup(*args)
13971 def get_type(self):
13972 r"""get_type(Typed self) -> ParticleType"""
13973 return _IMP_core.Typed_get_type(self)
13975 def set_type(self, pt):
13976 r"""set_type(Typed self, ParticleType pt)"""
13977 return _IMP_core.Typed_set_type(self, pt)
13979 def add_attribute(self, *args):
13981 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13982 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13983 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13984 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13985 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13986 add_attribute(Typed self, StringKey a0, IMP::String a1)
13987 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13988 add_attribute(Typed self, ObjectKey a0, Object a1)
13989 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13990 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13991 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13992 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13994 return _IMP_core.Typed_add_attribute(self, *args)
13996 def get_value(self, *args):
13998 get_value(Typed self, FloatKey a0) -> IMP::Float
13999 get_value(Typed self, IntKey a0) -> IMP::Int
14000 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14001 get_value(Typed self, IntsKey a0) -> IMP::Ints
14002 get_value(Typed self, StringKey a0) -> IMP::String
14003 get_value(Typed self, ParticleIndexKey a0) -> Particle
14004 get_value(Typed self, ObjectKey a0) -> Object
14005 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14006 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14007 get_value(Typed self, SparseStringKey a0) -> IMP::String
14008 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14010 return _IMP_core.Typed_get_value(self, *args)
14012 def set_value(self, *args):
14014 set_value(Typed self, FloatKey a0, IMP::Float a1)
14015 set_value(Typed self, IntKey a0, IMP::Int a1)
14016 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14017 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14018 set_value(Typed self, StringKey a0, IMP::String a1)
14019 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14020 set_value(Typed self, ObjectKey a0, Object a1)
14021 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14022 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14023 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14024 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14026 return _IMP_core.Typed_set_value(self, *args)
14028 def remove_attribute(self, *args):
14030 remove_attribute(Typed self, FloatKey a0)
14031 remove_attribute(Typed self, IntKey a0)
14032 remove_attribute(Typed self, FloatsKey a0)
14033 remove_attribute(Typed self, IntsKey a0)
14034 remove_attribute(Typed self, StringKey a0)
14035 remove_attribute(Typed self, ParticleIndexKey a0)
14036 remove_attribute(Typed self, ObjectKey a0)
14037 remove_attribute(Typed self, SparseFloatKey a0)
14038 remove_attribute(Typed self, SparseIntKey a0)
14039 remove_attribute(Typed self, SparseStringKey a0)
14040 remove_attribute(Typed self, SparseParticleIndexKey a0)
14042 return _IMP_core.Typed_remove_attribute(self, *args)
14044 def has_attribute(self, *args):
14046 has_attribute(Typed self, FloatKey a0) -> bool
14047 has_attribute(Typed self, IntKey a0) -> bool
14048 has_attribute(Typed self, FloatsKey a0) -> bool
14049 has_attribute(Typed self, IntsKey a0) -> bool
14050 has_attribute(Typed self, StringKey a0) -> bool
14051 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14052 has_attribute(Typed self, ObjectKey a0) -> bool
14053 has_attribute(Typed self, SparseFloatKey a0) -> bool
14054 has_attribute(Typed self, SparseIntKey a0) -> bool
14055 has_attribute(Typed self, SparseStringKey a0) -> bool
14056 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14058 return _IMP_core.Typed_has_attribute(self, *args)
14060 def get_derivative(self, a0):
14061 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14062 return _IMP_core.Typed_get_derivative(self, a0)
14064 def get_name(self):
14065 r"""get_name(Typed self) -> std::string"""
14066 return _IMP_core.Typed_get_name(self)
14068 def clear_caches(self):
14069 r"""clear_caches(Typed self)"""
14070 return _IMP_core.Typed_clear_caches(self)
14072 def set_name(self, a0):
14073 r"""set_name(Typed self, std::string a0)"""
14074 return _IMP_core.Typed_set_name(self, a0)
14077 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14078 return _IMP_core.Typed_set_check_level(self, a0)
14080 def add_to_derivative(self, a0, a1, a2):
14081 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14082 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14084 def set_is_optimized(self, a0, a1):
14085 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14086 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14088 def get_is_optimized(self, a0):
14089 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14090 return _IMP_core.Typed_get_is_optimized(self, a0)
14093 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14094 return _IMP_core.Typed_get_check_level(self)
14096 def __eq__(self, *args):
14098 __eq__(Typed self, Typed o) -> bool
14099 __eq__(Typed self, Particle d) -> bool
14101 return _IMP_core.Typed___eq__(self, *args)
14103 def __ne__(self, *args):
14105 __ne__(Typed self, Typed o) -> bool
14106 __ne__(Typed self, Particle d) -> bool
14108 return _IMP_core.Typed___ne__(self, *args)
14110 def __le__(self, *args):
14112 __le__(Typed self, Typed o) -> bool
14113 __le__(Typed self, Particle d) -> bool
14115 return _IMP_core.Typed___le__(self, *args)
14117 def __lt__(self, *args):
14119 __lt__(Typed self, Typed o) -> bool
14120 __lt__(Typed self, Particle d) -> bool
14122 return _IMP_core.Typed___lt__(self, *args)
14124 def __ge__(self, *args):
14126 __ge__(Typed self, Typed o) -> bool
14127 __ge__(Typed self, Particle d) -> bool
14129 return _IMP_core.Typed___ge__(self, *args)
14131 def __gt__(self, *args):
14133 __gt__(Typed self, Typed o) -> bool
14134 __gt__(Typed self, Particle d) -> bool
14136 return _IMP_core.Typed___gt__(self, *args)
14138 def __hash__(self):
14139 r"""__hash__(Typed self) -> std::size_t"""
14140 return _IMP_core.Typed___hash__(self)
14143 r"""__str__(Typed self) -> std::string"""
14144 return _IMP_core.Typed___str__(self)
14146 def __repr__(self):
14147 r"""__repr__(Typed self) -> std::string"""
14148 return _IMP_core.Typed___repr__(self)
14150 def _get_as_binary(self):
14151 r"""_get_as_binary(Typed self) -> PyObject *"""
14152 return _IMP_core.Typed__get_as_binary(self)
14154 def _set_from_binary(self, p):
14155 r"""_set_from_binary(Typed self, PyObject * p)"""
14156 return _IMP_core.Typed__set_from_binary(self, p)
14158 def __getstate__(self):
14159 p = self._get_as_binary()
14160 if len(self.__dict__) > 1:
14161 d = self.__dict__.copy()
14166 def __setstate__(self, p):
14167 if not hasattr(self,
'this'):
14169 if isinstance(p, tuple):
14171 self.__dict__.update(d)
14172 return self._set_from_binary(p)
14174 __swig_destroy__ = _IMP_core.delete_Typed
14177 _IMP_core.Typed_swigregister(Typed)
14179 def __lshift__(*args):
14181 __lshift__(_ostream out, XYZ n) -> _ostream
14182 __lshift__(_ostream out, XYZR n) -> _ostream
14183 __lshift__(_ostream out, Direction n) -> _ostream
14184 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14185 __lshift__(_ostream out, Surface n) -> _ostream
14186 __lshift__(_ostream out, Centroid n) -> _ostream
14187 __lshift__(_ostream out, Cover n) -> _ostream
14188 __lshift__(_ostream out, Reference n) -> _ostream
14189 __lshift__(_ostream out, RigidMember n) -> _ostream
14190 __lshift__(_ostream out, RigidBody n) -> _ostream
14191 __lshift__(_ostream out, Gaussian n) -> _ostream
14192 __lshift__(_ostream out, Typed n) -> _ostream
14194 return _IMP_core.__lshift__(*args)
14196 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14198 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14200 def __init__(self, rs, out):
14201 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14202 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14204 def get_version_info(self):
14205 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14206 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14207 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14210 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14211 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14213 def __repr__(self):
14214 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14215 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14219 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14223 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14226 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14227 return _IMP_core.assign_blame(rs, ps, attribute)
14230 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14231 return _IMP_core.create_blame_geometries(*args)
14233 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14235 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14237 def __init__(self, m, q1, q2):
14238 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14239 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14241 def add_term(self, term):
14242 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14243 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14245 def do_get_inputs(self):
14246 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14247 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14249 def get_version_info(self):
14250 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14251 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14252 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14255 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14256 return _IMP_core.MultipleBinormalRestraint___str__(self)
14258 def __repr__(self):
14259 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14260 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14264 return _object_cast_to_MultipleBinormalRestraint(o)
14268 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14269 class BinormalTerm(object):
14270 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14272 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14274 def __init__(self):
14275 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14276 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14278 def set_correlation(self, correlation):
14279 r"""set_correlation(BinormalTerm self, double correlation)"""
14280 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14282 def set_weight(self, weight):
14283 r"""set_weight(BinormalTerm self, double weight)"""
14284 return _IMP_core.BinormalTerm_set_weight(self, weight)
14286 def set_means(self, means):
14287 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14288 return _IMP_core.BinormalTerm_set_means(self, means)
14290 def set_standard_deviations(self, stdevs):
14291 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14292 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14294 def show(self, *args):
14295 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14296 return _IMP_core.BinormalTerm_show(self, *args)
14299 r"""__str__(BinormalTerm self) -> std::string"""
14300 return _IMP_core.BinormalTerm___str__(self)
14302 def __repr__(self):
14303 r"""__repr__(BinormalTerm self) -> std::string"""
14304 return _IMP_core.BinormalTerm___repr__(self)
14306 def _get_as_binary(self):
14307 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14308 return _IMP_core.BinormalTerm__get_as_binary(self)
14310 def _set_from_binary(self, p):
14311 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14312 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14314 def __getstate__(self):
14315 p = self._get_as_binary()
14316 if len(self.__dict__) > 1:
14317 d = self.__dict__.copy()
14322 def __setstate__(self, p):
14323 if not hasattr(self,
'this'):
14325 if isinstance(p, tuple):
14327 self.__dict__.update(d)
14328 return self._set_from_binary(p)
14330 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14333 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14335 r"""Proxy of C++ IMP::core::Provenance class."""
14337 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14339 def get_previous(self):
14340 r"""get_previous(Provenance self) -> Provenance"""
14341 return _IMP_core.Provenance_get_previous(self)
14343 def set_previous(self, p):
14344 r"""set_previous(Provenance self, Provenance p)"""
14345 return _IMP_core.Provenance_set_previous(self, p)
14347 def __init__(self, *args):
14349 __init__(Provenance self) -> Provenance
14350 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14351 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14353 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14356 def get_is_setup(*args):
14358 get_is_setup(Model m, ParticleIndex pi) -> bool
14359 get_is_setup(_ParticleAdaptor p) -> bool
14361 return _IMP_core.Provenance_get_is_setup(*args)
14363 def show(self, *args):
14364 r"""show(Provenance self, _ostream out=std::cout)"""
14365 return _IMP_core.Provenance_show(self, *args)
14368 def setup_particle(*args):
14370 setup_particle(Model m, ParticleIndex pi) -> Provenance
14371 setup_particle(_ParticleAdaptor pa) -> Provenance
14373 return _IMP_core.Provenance_setup_particle(*args)
14375 def add_attribute(self, *args):
14377 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14378 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14379 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14380 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14381 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14382 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14383 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14384 add_attribute(Provenance self, ObjectKey a0, Object a1)
14385 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14386 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14387 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14388 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14390 return _IMP_core.Provenance_add_attribute(self, *args)
14392 def get_value(self, *args):
14394 get_value(Provenance self, FloatKey a0) -> IMP::Float
14395 get_value(Provenance self, IntKey a0) -> IMP::Int
14396 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14397 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14398 get_value(Provenance self, StringKey a0) -> IMP::String
14399 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14400 get_value(Provenance self, ObjectKey a0) -> Object
14401 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14402 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14403 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14404 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14406 return _IMP_core.Provenance_get_value(self, *args)
14408 def set_value(self, *args):
14410 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14411 set_value(Provenance self, IntKey a0, IMP::Int a1)
14412 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14413 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14414 set_value(Provenance self, StringKey a0, IMP::String a1)
14415 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14416 set_value(Provenance self, ObjectKey a0, Object a1)
14417 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14418 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14419 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14420 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14422 return _IMP_core.Provenance_set_value(self, *args)
14424 def remove_attribute(self, *args):
14426 remove_attribute(Provenance self, FloatKey a0)
14427 remove_attribute(Provenance self, IntKey a0)
14428 remove_attribute(Provenance self, FloatsKey a0)
14429 remove_attribute(Provenance self, IntsKey a0)
14430 remove_attribute(Provenance self, StringKey a0)
14431 remove_attribute(Provenance self, ParticleIndexKey a0)
14432 remove_attribute(Provenance self, ObjectKey a0)
14433 remove_attribute(Provenance self, SparseFloatKey a0)
14434 remove_attribute(Provenance self, SparseIntKey a0)
14435 remove_attribute(Provenance self, SparseStringKey a0)
14436 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14438 return _IMP_core.Provenance_remove_attribute(self, *args)
14440 def has_attribute(self, *args):
14442 has_attribute(Provenance self, FloatKey a0) -> bool
14443 has_attribute(Provenance self, IntKey a0) -> bool
14444 has_attribute(Provenance self, FloatsKey a0) -> bool
14445 has_attribute(Provenance self, IntsKey a0) -> bool
14446 has_attribute(Provenance self, StringKey a0) -> bool
14447 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14448 has_attribute(Provenance self, ObjectKey a0) -> bool
14449 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14450 has_attribute(Provenance self, SparseIntKey a0) -> bool
14451 has_attribute(Provenance self, SparseStringKey a0) -> bool
14452 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14454 return _IMP_core.Provenance_has_attribute(self, *args)
14456 def get_derivative(self, a0):
14457 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14458 return _IMP_core.Provenance_get_derivative(self, a0)
14460 def get_name(self):
14461 r"""get_name(Provenance self) -> std::string"""
14462 return _IMP_core.Provenance_get_name(self)
14464 def clear_caches(self):
14465 r"""clear_caches(Provenance self)"""
14466 return _IMP_core.Provenance_clear_caches(self)
14468 def set_name(self, a0):
14469 r"""set_name(Provenance self, std::string a0)"""
14470 return _IMP_core.Provenance_set_name(self, a0)
14473 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14474 return _IMP_core.Provenance_set_check_level(self, a0)
14476 def add_to_derivative(self, a0, a1, a2):
14477 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14478 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14480 def set_is_optimized(self, a0, a1):
14481 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14482 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14484 def get_is_optimized(self, a0):
14485 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14486 return _IMP_core.Provenance_get_is_optimized(self, a0)
14489 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14490 return _IMP_core.Provenance_get_check_level(self)
14492 def __eq__(self, *args):
14494 __eq__(Provenance self, Provenance o) -> bool
14495 __eq__(Provenance self, Particle d) -> bool
14497 return _IMP_core.Provenance___eq__(self, *args)
14499 def __ne__(self, *args):
14501 __ne__(Provenance self, Provenance o) -> bool
14502 __ne__(Provenance self, Particle d) -> bool
14504 return _IMP_core.Provenance___ne__(self, *args)
14506 def __le__(self, *args):
14508 __le__(Provenance self, Provenance o) -> bool
14509 __le__(Provenance self, Particle d) -> bool
14511 return _IMP_core.Provenance___le__(self, *args)
14513 def __lt__(self, *args):
14515 __lt__(Provenance self, Provenance o) -> bool
14516 __lt__(Provenance self, Particle d) -> bool
14518 return _IMP_core.Provenance___lt__(self, *args)
14520 def __ge__(self, *args):
14522 __ge__(Provenance self, Provenance o) -> bool
14523 __ge__(Provenance self, Particle d) -> bool
14525 return _IMP_core.Provenance___ge__(self, *args)
14527 def __gt__(self, *args):
14529 __gt__(Provenance self, Provenance o) -> bool
14530 __gt__(Provenance self, Particle d) -> bool
14532 return _IMP_core.Provenance___gt__(self, *args)
14534 def __hash__(self):
14535 r"""__hash__(Provenance self) -> std::size_t"""
14536 return _IMP_core.Provenance___hash__(self)
14539 r"""__str__(Provenance self) -> std::string"""
14540 return _IMP_core.Provenance___str__(self)
14542 def __repr__(self):
14543 r"""__repr__(Provenance self) -> std::string"""
14544 return _IMP_core.Provenance___repr__(self)
14546 def _get_as_binary(self):
14547 r"""_get_as_binary(Provenance self) -> PyObject *"""
14548 return _IMP_core.Provenance__get_as_binary(self)
14550 def _set_from_binary(self, p):
14551 r"""_set_from_binary(Provenance self, PyObject * p)"""
14552 return _IMP_core.Provenance__set_from_binary(self, p)
14554 def __getstate__(self):
14555 p = self._get_as_binary()
14556 if len(self.__dict__) > 1:
14557 d = self.__dict__.copy()
14562 def __setstate__(self, p):
14563 if not hasattr(self,
'this'):
14565 if isinstance(p, tuple):
14567 self.__dict__.update(d)
14568 return self._set_from_binary(p)
14570 __swig_destroy__ = _IMP_core.delete_Provenance
14573 _IMP_core.Provenance_swigregister(Provenance)
14574 class StructureProvenance(Provenance):
14575 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14577 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14579 def set_filename(self, filename):
14580 r"""set_filename(StructureProvenance self, std::string filename)"""
14581 return _IMP_core.StructureProvenance_set_filename(self, filename)
14583 def get_filename(self):
14584 r"""get_filename(StructureProvenance self) -> std::string"""
14585 return _IMP_core.StructureProvenance_get_filename(self)
14587 def set_chain_id(self, chain_id):
14588 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14589 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14592 r"""get_chain_id(StructureProvenance self) -> std::string"""
14593 return _IMP_core.StructureProvenance_get_chain_id(self)
14595 def set_residue_offset(self, residue_offset):
14596 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14597 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14599 def get_residue_offset(self):
14600 r"""get_residue_offset(StructureProvenance self) -> int"""
14601 return _IMP_core.StructureProvenance_get_residue_offset(self)
14603 def __init__(self, *args):
14605 __init__(StructureProvenance self) -> StructureProvenance
14606 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14607 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14609 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14612 def get_is_setup(*args):
14614 get_is_setup(Model m, ParticleIndex pi) -> bool
14615 get_is_setup(_ParticleAdaptor p) -> bool
14617 return _IMP_core.StructureProvenance_get_is_setup(*args)
14619 def show(self, *args):
14620 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14621 return _IMP_core.StructureProvenance_show(self, *args)
14624 def setup_particle(*args):
14626 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14627 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14628 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14629 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14630 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14631 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14633 return _IMP_core.StructureProvenance_setup_particle(*args)
14635 def add_attribute(self, *args):
14637 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14638 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14639 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14640 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14641 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14642 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14643 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14644 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14645 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14646 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14647 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14648 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14650 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14652 def get_value(self, *args):
14654 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14655 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14656 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14657 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14658 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14659 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14660 get_value(StructureProvenance self, ObjectKey a0) -> Object
14661 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14662 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14663 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14664 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14666 return _IMP_core.StructureProvenance_get_value(self, *args)
14668 def set_value(self, *args):
14670 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14671 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14672 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14673 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14674 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14675 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14676 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14677 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14678 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14679 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14680 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14682 return _IMP_core.StructureProvenance_set_value(self, *args)
14684 def remove_attribute(self, *args):
14686 remove_attribute(StructureProvenance self, FloatKey a0)
14687 remove_attribute(StructureProvenance self, IntKey a0)
14688 remove_attribute(StructureProvenance self, FloatsKey a0)
14689 remove_attribute(StructureProvenance self, IntsKey a0)
14690 remove_attribute(StructureProvenance self, StringKey a0)
14691 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14692 remove_attribute(StructureProvenance self, ObjectKey a0)
14693 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14694 remove_attribute(StructureProvenance self, SparseIntKey a0)
14695 remove_attribute(StructureProvenance self, SparseStringKey a0)
14696 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14698 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14700 def has_attribute(self, *args):
14702 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14703 has_attribute(StructureProvenance self, IntKey a0) -> bool
14704 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14705 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14706 has_attribute(StructureProvenance self, StringKey a0) -> bool
14707 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14708 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14709 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14710 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14711 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14712 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14714 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14716 def get_derivative(self, a0):
14717 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14718 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14720 def get_name(self):
14721 r"""get_name(StructureProvenance self) -> std::string"""
14722 return _IMP_core.StructureProvenance_get_name(self)
14724 def clear_caches(self):
14725 r"""clear_caches(StructureProvenance self)"""
14726 return _IMP_core.StructureProvenance_clear_caches(self)
14728 def set_name(self, a0):
14729 r"""set_name(StructureProvenance self, std::string a0)"""
14730 return _IMP_core.StructureProvenance_set_name(self, a0)
14733 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14734 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14736 def add_to_derivative(self, a0, a1, a2):
14737 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14738 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14740 def set_is_optimized(self, a0, a1):
14741 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14742 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14744 def get_is_optimized(self, a0):
14745 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14746 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14749 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14750 return _IMP_core.StructureProvenance_get_check_level(self)
14752 def __eq__(self, *args):
14754 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14755 __eq__(StructureProvenance self, Particle d) -> bool
14757 return _IMP_core.StructureProvenance___eq__(self, *args)
14759 def __ne__(self, *args):
14761 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14762 __ne__(StructureProvenance self, Particle d) -> bool
14764 return _IMP_core.StructureProvenance___ne__(self, *args)
14766 def __le__(self, *args):
14768 __le__(StructureProvenance self, StructureProvenance o) -> bool
14769 __le__(StructureProvenance self, Particle d) -> bool
14771 return _IMP_core.StructureProvenance___le__(self, *args)
14773 def __lt__(self, *args):
14775 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14776 __lt__(StructureProvenance self, Particle d) -> bool
14778 return _IMP_core.StructureProvenance___lt__(self, *args)
14780 def __ge__(self, *args):
14782 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14783 __ge__(StructureProvenance self, Particle d) -> bool
14785 return _IMP_core.StructureProvenance___ge__(self, *args)
14787 def __gt__(self, *args):
14789 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14790 __gt__(StructureProvenance self, Particle d) -> bool
14792 return _IMP_core.StructureProvenance___gt__(self, *args)
14794 def __hash__(self):
14795 r"""__hash__(StructureProvenance self) -> std::size_t"""
14796 return _IMP_core.StructureProvenance___hash__(self)
14799 r"""__str__(StructureProvenance self) -> std::string"""
14800 return _IMP_core.StructureProvenance___str__(self)
14802 def __repr__(self):
14803 r"""__repr__(StructureProvenance self) -> std::string"""
14804 return _IMP_core.StructureProvenance___repr__(self)
14806 def _get_as_binary(self):
14807 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14808 return _IMP_core.StructureProvenance__get_as_binary(self)
14810 def _set_from_binary(self, p):
14811 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14812 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14814 def __getstate__(self):
14815 p = self._get_as_binary()
14816 if len(self.__dict__) > 1:
14817 d = self.__dict__.copy()
14822 def __setstate__(self, p):
14823 if not hasattr(self,
'this'):
14825 if isinstance(p, tuple):
14827 self.__dict__.update(d)
14828 return self._set_from_binary(p)
14830 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14833 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14834 class SampleProvenance(Provenance):
14835 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14837 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14839 def set_method(self, method):
14840 r"""set_method(SampleProvenance self, std::string method)"""
14841 return _IMP_core.SampleProvenance_set_method(self, method)
14843 def get_method(self):
14844 r"""get_method(SampleProvenance self) -> std::string"""
14845 return _IMP_core.SampleProvenance_get_method(self)
14847 def set_number_of_frames(self, frames):
14848 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14849 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14852 r"""get_number_of_frames(SampleProvenance self) -> int"""
14853 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14855 def set_number_of_iterations(self, iterations):
14856 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14857 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14859 def get_number_of_iterations(self):
14860 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14861 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14863 def set_number_of_replicas(self, replicas):
14864 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14865 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14867 def get_number_of_replicas(self):
14868 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14869 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14871 def __init__(self, *args):
14873 __init__(SampleProvenance self) -> SampleProvenance
14874 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14875 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14877 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14880 def get_is_setup(*args):
14882 get_is_setup(Model m, ParticleIndex pi) -> bool
14883 get_is_setup(_ParticleAdaptor p) -> bool
14885 return _IMP_core.SampleProvenance_get_is_setup(*args)
14887 def show(self, *args):
14888 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14889 return _IMP_core.SampleProvenance_show(self, *args)
14892 def setup_particle(*args):
14894 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14895 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14896 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14897 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14898 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14899 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14901 return _IMP_core.SampleProvenance_setup_particle(*args)
14903 def add_attribute(self, *args):
14905 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14906 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14907 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14908 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14909 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14910 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14911 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14912 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14913 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14914 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14915 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14916 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14918 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14920 def get_value(self, *args):
14922 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14923 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14924 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14925 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14926 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14927 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14928 get_value(SampleProvenance self, ObjectKey a0) -> Object
14929 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14930 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14931 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14932 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14934 return _IMP_core.SampleProvenance_get_value(self, *args)
14936 def set_value(self, *args):
14938 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14939 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14940 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14941 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14942 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14943 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14944 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14945 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14946 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14947 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14948 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14950 return _IMP_core.SampleProvenance_set_value(self, *args)
14952 def remove_attribute(self, *args):
14954 remove_attribute(SampleProvenance self, FloatKey a0)
14955 remove_attribute(SampleProvenance self, IntKey a0)
14956 remove_attribute(SampleProvenance self, FloatsKey a0)
14957 remove_attribute(SampleProvenance self, IntsKey a0)
14958 remove_attribute(SampleProvenance self, StringKey a0)
14959 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14960 remove_attribute(SampleProvenance self, ObjectKey a0)
14961 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14962 remove_attribute(SampleProvenance self, SparseIntKey a0)
14963 remove_attribute(SampleProvenance self, SparseStringKey a0)
14964 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14966 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14968 def has_attribute(self, *args):
14970 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14971 has_attribute(SampleProvenance self, IntKey a0) -> bool
14972 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14973 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14974 has_attribute(SampleProvenance self, StringKey a0) -> bool
14975 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14976 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14977 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14978 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14979 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14980 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14982 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14984 def get_derivative(self, a0):
14985 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14986 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14988 def get_name(self):
14989 r"""get_name(SampleProvenance self) -> std::string"""
14990 return _IMP_core.SampleProvenance_get_name(self)
14992 def clear_caches(self):
14993 r"""clear_caches(SampleProvenance self)"""
14994 return _IMP_core.SampleProvenance_clear_caches(self)
14996 def set_name(self, a0):
14997 r"""set_name(SampleProvenance self, std::string a0)"""
14998 return _IMP_core.SampleProvenance_set_name(self, a0)
15001 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15002 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15004 def add_to_derivative(self, a0, a1, a2):
15005 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15006 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15008 def set_is_optimized(self, a0, a1):
15009 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15010 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15012 def get_is_optimized(self, a0):
15013 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15014 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15017 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15018 return _IMP_core.SampleProvenance_get_check_level(self)
15020 def __eq__(self, *args):
15022 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15023 __eq__(SampleProvenance self, Particle d) -> bool
15025 return _IMP_core.SampleProvenance___eq__(self, *args)
15027 def __ne__(self, *args):
15029 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15030 __ne__(SampleProvenance self, Particle d) -> bool
15032 return _IMP_core.SampleProvenance___ne__(self, *args)
15034 def __le__(self, *args):
15036 __le__(SampleProvenance self, SampleProvenance o) -> bool
15037 __le__(SampleProvenance self, Particle d) -> bool
15039 return _IMP_core.SampleProvenance___le__(self, *args)
15041 def __lt__(self, *args):
15043 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15044 __lt__(SampleProvenance self, Particle d) -> bool
15046 return _IMP_core.SampleProvenance___lt__(self, *args)
15048 def __ge__(self, *args):
15050 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15051 __ge__(SampleProvenance self, Particle d) -> bool
15053 return _IMP_core.SampleProvenance___ge__(self, *args)
15055 def __gt__(self, *args):
15057 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15058 __gt__(SampleProvenance self, Particle d) -> bool
15060 return _IMP_core.SampleProvenance___gt__(self, *args)
15062 def __hash__(self):
15063 r"""__hash__(SampleProvenance self) -> std::size_t"""
15064 return _IMP_core.SampleProvenance___hash__(self)
15067 r"""__str__(SampleProvenance self) -> std::string"""
15068 return _IMP_core.SampleProvenance___str__(self)
15070 def __repr__(self):
15071 r"""__repr__(SampleProvenance self) -> std::string"""
15072 return _IMP_core.SampleProvenance___repr__(self)
15074 def _get_as_binary(self):
15075 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15076 return _IMP_core.SampleProvenance__get_as_binary(self)
15078 def _set_from_binary(self, p):
15079 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15080 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15082 def __getstate__(self):
15083 p = self._get_as_binary()
15084 if len(self.__dict__) > 1:
15085 d = self.__dict__.copy()
15090 def __setstate__(self, p):
15091 if not hasattr(self,
'this'):
15093 if isinstance(p, tuple):
15095 self.__dict__.update(d)
15096 return self._set_from_binary(p)
15098 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15101 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15102 class CombineProvenance(Provenance):
15103 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15107 def set_number_of_frames(self, frames):
15108 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15109 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15112 r"""get_number_of_frames(CombineProvenance self) -> int"""
15113 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15115 def set_number_of_runs(self, runs):
15116 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15117 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15119 def get_number_of_runs(self):
15120 r"""get_number_of_runs(CombineProvenance self) -> int"""
15121 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15123 def __init__(self, *args):
15125 __init__(CombineProvenance self) -> CombineProvenance
15126 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15127 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15129 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15132 def get_is_setup(*args):
15134 get_is_setup(Model m, ParticleIndex pi) -> bool
15135 get_is_setup(_ParticleAdaptor p) -> bool
15137 return _IMP_core.CombineProvenance_get_is_setup(*args)
15139 def show(self, *args):
15140 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15141 return _IMP_core.CombineProvenance_show(self, *args)
15144 def setup_particle(*args):
15146 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15147 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15148 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15149 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15151 return _IMP_core.CombineProvenance_setup_particle(*args)
15153 def add_attribute(self, *args):
15155 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15156 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15157 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15158 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15159 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15160 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15161 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15162 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15163 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15164 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15165 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15166 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15168 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15170 def get_value(self, *args):
15172 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15173 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15174 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15175 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15176 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15177 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15178 get_value(CombineProvenance self, ObjectKey a0) -> Object
15179 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15180 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15181 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15182 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15184 return _IMP_core.CombineProvenance_get_value(self, *args)
15186 def set_value(self, *args):
15188 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15189 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15190 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15191 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15192 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15193 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15194 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15195 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15196 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15197 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15198 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15200 return _IMP_core.CombineProvenance_set_value(self, *args)
15202 def remove_attribute(self, *args):
15204 remove_attribute(CombineProvenance self, FloatKey a0)
15205 remove_attribute(CombineProvenance self, IntKey a0)
15206 remove_attribute(CombineProvenance self, FloatsKey a0)
15207 remove_attribute(CombineProvenance self, IntsKey a0)
15208 remove_attribute(CombineProvenance self, StringKey a0)
15209 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15210 remove_attribute(CombineProvenance self, ObjectKey a0)
15211 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15212 remove_attribute(CombineProvenance self, SparseIntKey a0)
15213 remove_attribute(CombineProvenance self, SparseStringKey a0)
15214 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15216 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15218 def has_attribute(self, *args):
15220 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15221 has_attribute(CombineProvenance self, IntKey a0) -> bool
15222 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15223 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15224 has_attribute(CombineProvenance self, StringKey a0) -> bool
15225 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15226 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15227 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15228 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15229 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15230 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15232 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15234 def get_derivative(self, a0):
15235 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15236 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15238 def get_name(self):
15239 r"""get_name(CombineProvenance self) -> std::string"""
15240 return _IMP_core.CombineProvenance_get_name(self)
15242 def clear_caches(self):
15243 r"""clear_caches(CombineProvenance self)"""
15244 return _IMP_core.CombineProvenance_clear_caches(self)
15246 def set_name(self, a0):
15247 r"""set_name(CombineProvenance self, std::string a0)"""
15248 return _IMP_core.CombineProvenance_set_name(self, a0)
15251 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15252 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15254 def add_to_derivative(self, a0, a1, a2):
15255 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15256 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15258 def set_is_optimized(self, a0, a1):
15259 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15260 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15262 def get_is_optimized(self, a0):
15263 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15264 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15267 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15268 return _IMP_core.CombineProvenance_get_check_level(self)
15270 def __eq__(self, *args):
15272 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15273 __eq__(CombineProvenance self, Particle d) -> bool
15275 return _IMP_core.CombineProvenance___eq__(self, *args)
15277 def __ne__(self, *args):
15279 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15280 __ne__(CombineProvenance self, Particle d) -> bool
15282 return _IMP_core.CombineProvenance___ne__(self, *args)
15284 def __le__(self, *args):
15286 __le__(CombineProvenance self, CombineProvenance o) -> bool
15287 __le__(CombineProvenance self, Particle d) -> bool
15289 return _IMP_core.CombineProvenance___le__(self, *args)
15291 def __lt__(self, *args):
15293 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15294 __lt__(CombineProvenance self, Particle d) -> bool
15296 return _IMP_core.CombineProvenance___lt__(self, *args)
15298 def __ge__(self, *args):
15300 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15301 __ge__(CombineProvenance self, Particle d) -> bool
15303 return _IMP_core.CombineProvenance___ge__(self, *args)
15305 def __gt__(self, *args):
15307 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15308 __gt__(CombineProvenance self, Particle d) -> bool
15310 return _IMP_core.CombineProvenance___gt__(self, *args)
15312 def __hash__(self):
15313 r"""__hash__(CombineProvenance self) -> std::size_t"""
15314 return _IMP_core.CombineProvenance___hash__(self)
15317 r"""__str__(CombineProvenance self) -> std::string"""
15318 return _IMP_core.CombineProvenance___str__(self)
15320 def __repr__(self):
15321 r"""__repr__(CombineProvenance self) -> std::string"""
15322 return _IMP_core.CombineProvenance___repr__(self)
15324 def _get_as_binary(self):
15325 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15326 return _IMP_core.CombineProvenance__get_as_binary(self)
15328 def _set_from_binary(self, p):
15329 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15330 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15332 def __getstate__(self):
15333 p = self._get_as_binary()
15334 if len(self.__dict__) > 1:
15335 d = self.__dict__.copy()
15340 def __setstate__(self, p):
15341 if not hasattr(self,
'this'):
15343 if isinstance(p, tuple):
15345 self.__dict__.update(d)
15346 return self._set_from_binary(p)
15348 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15351 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15352 class FilterProvenance(Provenance):
15353 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15357 def set_method(self, method):
15358 r"""set_method(FilterProvenance self, std::string method)"""
15359 return _IMP_core.FilterProvenance_set_method(self, method)
15361 def get_method(self):
15362 r"""get_method(FilterProvenance self) -> std::string"""
15363 return _IMP_core.FilterProvenance_get_method(self)
15365 def set_number_of_frames(self, frames):
15366 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15367 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15370 r"""get_number_of_frames(FilterProvenance self) -> int"""
15371 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15373 def set_threshold(self, threshold):
15374 r"""set_threshold(FilterProvenance self, double threshold)"""
15375 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15377 def get_threshold(self):
15378 r"""get_threshold(FilterProvenance self) -> double"""
15379 return _IMP_core.FilterProvenance_get_threshold(self)
15381 def __init__(self, *args):
15383 __init__(FilterProvenance self) -> FilterProvenance
15384 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15385 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15387 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15390 def get_is_setup(*args):
15392 get_is_setup(Model m, ParticleIndex pi) -> bool
15393 get_is_setup(_ParticleAdaptor p) -> bool
15395 return _IMP_core.FilterProvenance_get_is_setup(*args)
15397 def show(self, *args):
15398 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15399 return _IMP_core.FilterProvenance_show(self, *args)
15402 def setup_particle(*args):
15404 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15405 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15406 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15407 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15409 return _IMP_core.FilterProvenance_setup_particle(*args)
15411 def add_attribute(self, *args):
15413 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15414 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15415 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15416 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15417 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15418 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15419 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15420 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15421 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15422 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15423 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15424 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15426 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15428 def get_value(self, *args):
15430 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15431 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15432 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15433 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15434 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15435 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15436 get_value(FilterProvenance self, ObjectKey a0) -> Object
15437 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15438 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15439 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15440 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15442 return _IMP_core.FilterProvenance_get_value(self, *args)
15444 def set_value(self, *args):
15446 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15447 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15448 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15449 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15450 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15451 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15452 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15453 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15454 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15455 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15456 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15458 return _IMP_core.FilterProvenance_set_value(self, *args)
15460 def remove_attribute(self, *args):
15462 remove_attribute(FilterProvenance self, FloatKey a0)
15463 remove_attribute(FilterProvenance self, IntKey a0)
15464 remove_attribute(FilterProvenance self, FloatsKey a0)
15465 remove_attribute(FilterProvenance self, IntsKey a0)
15466 remove_attribute(FilterProvenance self, StringKey a0)
15467 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15468 remove_attribute(FilterProvenance self, ObjectKey a0)
15469 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15470 remove_attribute(FilterProvenance self, SparseIntKey a0)
15471 remove_attribute(FilterProvenance self, SparseStringKey a0)
15472 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15474 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15476 def has_attribute(self, *args):
15478 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15479 has_attribute(FilterProvenance self, IntKey a0) -> bool
15480 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15481 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15482 has_attribute(FilterProvenance self, StringKey a0) -> bool
15483 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15484 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15485 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15486 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15487 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15488 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15490 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15492 def get_derivative(self, a0):
15493 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15494 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15496 def get_name(self):
15497 r"""get_name(FilterProvenance self) -> std::string"""
15498 return _IMP_core.FilterProvenance_get_name(self)
15500 def clear_caches(self):
15501 r"""clear_caches(FilterProvenance self)"""
15502 return _IMP_core.FilterProvenance_clear_caches(self)
15504 def set_name(self, a0):
15505 r"""set_name(FilterProvenance self, std::string a0)"""
15506 return _IMP_core.FilterProvenance_set_name(self, a0)
15509 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15510 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15512 def add_to_derivative(self, a0, a1, a2):
15513 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15514 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15516 def set_is_optimized(self, a0, a1):
15517 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15518 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15520 def get_is_optimized(self, a0):
15521 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15522 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15525 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15526 return _IMP_core.FilterProvenance_get_check_level(self)
15528 def __eq__(self, *args):
15530 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15531 __eq__(FilterProvenance self, Particle d) -> bool
15533 return _IMP_core.FilterProvenance___eq__(self, *args)
15535 def __ne__(self, *args):
15537 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15538 __ne__(FilterProvenance self, Particle d) -> bool
15540 return _IMP_core.FilterProvenance___ne__(self, *args)
15542 def __le__(self, *args):
15544 __le__(FilterProvenance self, FilterProvenance o) -> bool
15545 __le__(FilterProvenance self, Particle d) -> bool
15547 return _IMP_core.FilterProvenance___le__(self, *args)
15549 def __lt__(self, *args):
15551 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15552 __lt__(FilterProvenance self, Particle d) -> bool
15554 return _IMP_core.FilterProvenance___lt__(self, *args)
15556 def __ge__(self, *args):
15558 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15559 __ge__(FilterProvenance self, Particle d) -> bool
15561 return _IMP_core.FilterProvenance___ge__(self, *args)
15563 def __gt__(self, *args):
15565 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15566 __gt__(FilterProvenance self, Particle d) -> bool
15568 return _IMP_core.FilterProvenance___gt__(self, *args)
15570 def __hash__(self):
15571 r"""__hash__(FilterProvenance self) -> std::size_t"""
15572 return _IMP_core.FilterProvenance___hash__(self)
15575 r"""__str__(FilterProvenance self) -> std::string"""
15576 return _IMP_core.FilterProvenance___str__(self)
15578 def __repr__(self):
15579 r"""__repr__(FilterProvenance self) -> std::string"""
15580 return _IMP_core.FilterProvenance___repr__(self)
15582 def _get_as_binary(self):
15583 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15584 return _IMP_core.FilterProvenance__get_as_binary(self)
15586 def _set_from_binary(self, p):
15587 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15588 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15590 def __getstate__(self):
15591 p = self._get_as_binary()
15592 if len(self.__dict__) > 1:
15593 d = self.__dict__.copy()
15598 def __setstate__(self, p):
15599 if not hasattr(self,
'this'):
15601 if isinstance(p, tuple):
15603 self.__dict__.update(d)
15604 return self._set_from_binary(p)
15606 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15609 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15610 class ClusterProvenance(Provenance):
15611 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15613 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15615 def set_number_of_members(self, members):
15616 r"""set_number_of_members(ClusterProvenance self, int members)"""
15617 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15619 def get_number_of_members(self):
15620 r"""get_number_of_members(ClusterProvenance self) -> int"""
15621 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15623 def set_precision(self, precision):
15624 r"""set_precision(ClusterProvenance self, double precision)"""
15625 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15627 def get_precision(self):
15628 r"""get_precision(ClusterProvenance self) -> double"""
15629 return _IMP_core.ClusterProvenance_get_precision(self)
15631 def set_density(self, density):
15632 r"""set_density(ClusterProvenance self, std::string density)"""
15633 return _IMP_core.ClusterProvenance_set_density(self, density)
15635 def get_density(self):
15636 r"""get_density(ClusterProvenance self) -> std::string"""
15637 return _IMP_core.ClusterProvenance_get_density(self)
15639 def __init__(self, *args):
15641 __init__(ClusterProvenance self) -> ClusterProvenance
15642 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15643 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15645 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15648 def get_is_setup(*args):
15650 get_is_setup(Model m, ParticleIndex pi) -> bool
15651 get_is_setup(_ParticleAdaptor p) -> bool
15653 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15655 def show(self, *args):
15656 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15657 return _IMP_core.ClusterProvenance_show(self, *args)
15660 def setup_particle(*args):
15662 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15663 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15664 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15665 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15666 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15667 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15668 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15669 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15671 return _IMP_core.ClusterProvenance_setup_particle(*args)
15673 def add_attribute(self, *args):
15675 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15676 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15677 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15678 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15679 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15680 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15681 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15682 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15683 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15684 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15685 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15686 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15688 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15690 def get_value(self, *args):
15692 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15693 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15694 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15695 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15696 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15697 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15698 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15699 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15700 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15701 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15702 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15704 return _IMP_core.ClusterProvenance_get_value(self, *args)
15706 def set_value(self, *args):
15708 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15709 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15710 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15711 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15712 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15713 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15714 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15715 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15716 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15717 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15718 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15720 return _IMP_core.ClusterProvenance_set_value(self, *args)
15722 def remove_attribute(self, *args):
15724 remove_attribute(ClusterProvenance self, FloatKey a0)
15725 remove_attribute(ClusterProvenance self, IntKey a0)
15726 remove_attribute(ClusterProvenance self, FloatsKey a0)
15727 remove_attribute(ClusterProvenance self, IntsKey a0)
15728 remove_attribute(ClusterProvenance self, StringKey a0)
15729 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15730 remove_attribute(ClusterProvenance self, ObjectKey a0)
15731 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15732 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15733 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15734 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15736 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15738 def has_attribute(self, *args):
15740 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15741 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15742 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15743 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15744 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15745 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15746 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15747 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15748 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15749 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15750 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15752 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15754 def get_derivative(self, a0):
15755 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15756 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15758 def get_name(self):
15759 r"""get_name(ClusterProvenance self) -> std::string"""
15760 return _IMP_core.ClusterProvenance_get_name(self)
15762 def clear_caches(self):
15763 r"""clear_caches(ClusterProvenance self)"""
15764 return _IMP_core.ClusterProvenance_clear_caches(self)
15766 def set_name(self, a0):
15767 r"""set_name(ClusterProvenance self, std::string a0)"""
15768 return _IMP_core.ClusterProvenance_set_name(self, a0)
15771 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15772 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15774 def add_to_derivative(self, a0, a1, a2):
15775 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15776 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15778 def set_is_optimized(self, a0, a1):
15779 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15780 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15782 def get_is_optimized(self, a0):
15783 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15784 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15787 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15788 return _IMP_core.ClusterProvenance_get_check_level(self)
15790 def __eq__(self, *args):
15792 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15793 __eq__(ClusterProvenance self, Particle d) -> bool
15795 return _IMP_core.ClusterProvenance___eq__(self, *args)
15797 def __ne__(self, *args):
15799 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15800 __ne__(ClusterProvenance self, Particle d) -> bool
15802 return _IMP_core.ClusterProvenance___ne__(self, *args)
15804 def __le__(self, *args):
15806 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15807 __le__(ClusterProvenance self, Particle d) -> bool
15809 return _IMP_core.ClusterProvenance___le__(self, *args)
15811 def __lt__(self, *args):
15813 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15814 __lt__(ClusterProvenance self, Particle d) -> bool
15816 return _IMP_core.ClusterProvenance___lt__(self, *args)
15818 def __ge__(self, *args):
15820 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15821 __ge__(ClusterProvenance self, Particle d) -> bool
15823 return _IMP_core.ClusterProvenance___ge__(self, *args)
15825 def __gt__(self, *args):
15827 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15828 __gt__(ClusterProvenance self, Particle d) -> bool
15830 return _IMP_core.ClusterProvenance___gt__(self, *args)
15832 def __hash__(self):
15833 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15834 return _IMP_core.ClusterProvenance___hash__(self)
15837 r"""__str__(ClusterProvenance self) -> std::string"""
15838 return _IMP_core.ClusterProvenance___str__(self)
15840 def __repr__(self):
15841 r"""__repr__(ClusterProvenance self) -> std::string"""
15842 return _IMP_core.ClusterProvenance___repr__(self)
15844 def _get_as_binary(self):
15845 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15846 return _IMP_core.ClusterProvenance__get_as_binary(self)
15848 def _set_from_binary(self, p):
15849 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15850 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15852 def __getstate__(self):
15853 p = self._get_as_binary()
15854 if len(self.__dict__) > 1:
15855 d = self.__dict__.copy()
15860 def __setstate__(self, p):
15861 if not hasattr(self,
'this'):
15863 if isinstance(p, tuple):
15865 self.__dict__.update(d)
15866 return self._set_from_binary(p)
15868 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15871 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15872 class ScriptProvenance(Provenance):
15873 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15875 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15877 def set_filename(self, filename):
15878 r"""set_filename(ScriptProvenance self, std::string filename)"""
15879 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15881 def get_filename(self):
15882 r"""get_filename(ScriptProvenance self) -> std::string"""
15883 return _IMP_core.ScriptProvenance_get_filename(self)
15885 def __init__(self, *args):
15887 __init__(ScriptProvenance self) -> ScriptProvenance
15888 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15889 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15891 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15894 def get_is_setup(*args):
15896 get_is_setup(Model m, ParticleIndex pi) -> bool
15897 get_is_setup(_ParticleAdaptor p) -> bool
15899 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15901 def show(self, *args):
15902 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15903 return _IMP_core.ScriptProvenance_show(self, *args)
15906 def setup_particle(*args):
15908 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15909 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15910 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15911 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15913 return _IMP_core.ScriptProvenance_setup_particle(*args)
15915 def add_attribute(self, *args):
15917 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15918 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15919 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15920 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15921 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15922 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15923 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15924 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15925 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15926 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15927 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15928 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15930 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15932 def get_value(self, *args):
15934 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15935 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15936 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15937 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15938 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15939 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15940 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15941 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15942 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15943 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15944 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15946 return _IMP_core.ScriptProvenance_get_value(self, *args)
15948 def set_value(self, *args):
15950 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15951 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15952 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15953 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15954 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15955 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15956 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15957 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15958 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15959 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15960 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15962 return _IMP_core.ScriptProvenance_set_value(self, *args)
15964 def remove_attribute(self, *args):
15966 remove_attribute(ScriptProvenance self, FloatKey a0)
15967 remove_attribute(ScriptProvenance self, IntKey a0)
15968 remove_attribute(ScriptProvenance self, FloatsKey a0)
15969 remove_attribute(ScriptProvenance self, IntsKey a0)
15970 remove_attribute(ScriptProvenance self, StringKey a0)
15971 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15972 remove_attribute(ScriptProvenance self, ObjectKey a0)
15973 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15974 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15975 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15976 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15978 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15980 def has_attribute(self, *args):
15982 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15983 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15984 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15985 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15986 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15987 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15988 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15989 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15990 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15991 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15992 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15994 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15996 def get_derivative(self, a0):
15997 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15998 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16000 def get_name(self):
16001 r"""get_name(ScriptProvenance self) -> std::string"""
16002 return _IMP_core.ScriptProvenance_get_name(self)
16004 def clear_caches(self):
16005 r"""clear_caches(ScriptProvenance self)"""
16006 return _IMP_core.ScriptProvenance_clear_caches(self)
16008 def set_name(self, a0):
16009 r"""set_name(ScriptProvenance self, std::string a0)"""
16010 return _IMP_core.ScriptProvenance_set_name(self, a0)
16013 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16014 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16016 def add_to_derivative(self, a0, a1, a2):
16017 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16018 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16020 def set_is_optimized(self, a0, a1):
16021 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16022 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16024 def get_is_optimized(self, a0):
16025 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16026 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16029 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16030 return _IMP_core.ScriptProvenance_get_check_level(self)
16032 def __eq__(self, *args):
16034 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16035 __eq__(ScriptProvenance self, Particle d) -> bool
16037 return _IMP_core.ScriptProvenance___eq__(self, *args)
16039 def __ne__(self, *args):
16041 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16042 __ne__(ScriptProvenance self, Particle d) -> bool
16044 return _IMP_core.ScriptProvenance___ne__(self, *args)
16046 def __le__(self, *args):
16048 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16049 __le__(ScriptProvenance self, Particle d) -> bool
16051 return _IMP_core.ScriptProvenance___le__(self, *args)
16053 def __lt__(self, *args):
16055 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16056 __lt__(ScriptProvenance self, Particle d) -> bool
16058 return _IMP_core.ScriptProvenance___lt__(self, *args)
16060 def __ge__(self, *args):
16062 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16063 __ge__(ScriptProvenance self, Particle d) -> bool
16065 return _IMP_core.ScriptProvenance___ge__(self, *args)
16067 def __gt__(self, *args):
16069 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16070 __gt__(ScriptProvenance self, Particle d) -> bool
16072 return _IMP_core.ScriptProvenance___gt__(self, *args)
16074 def __hash__(self):
16075 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16076 return _IMP_core.ScriptProvenance___hash__(self)
16079 r"""__str__(ScriptProvenance self) -> std::string"""
16080 return _IMP_core.ScriptProvenance___str__(self)
16082 def __repr__(self):
16083 r"""__repr__(ScriptProvenance self) -> std::string"""
16084 return _IMP_core.ScriptProvenance___repr__(self)
16086 def _get_as_binary(self):
16087 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16088 return _IMP_core.ScriptProvenance__get_as_binary(self)
16090 def _set_from_binary(self, p):
16091 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16092 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16094 def __getstate__(self):
16095 p = self._get_as_binary()
16096 if len(self.__dict__) > 1:
16097 d = self.__dict__.copy()
16102 def __setstate__(self, p):
16103 if not hasattr(self,
'this'):
16105 if isinstance(p, tuple):
16107 self.__dict__.update(d)
16108 return self._set_from_binary(p)
16110 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16113 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16114 class SoftwareProvenance(Provenance):
16115 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16119 def set_software_name(self, name):
16120 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16121 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16123 def get_software_name(self):
16124 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16125 return _IMP_core.SoftwareProvenance_get_software_name(self)
16127 def set_version(self, version):
16128 r"""set_version(SoftwareProvenance self, std::string version)"""
16129 return _IMP_core.SoftwareProvenance_set_version(self, version)
16131 def get_version(self):
16132 r"""get_version(SoftwareProvenance self) -> std::string"""
16133 return _IMP_core.SoftwareProvenance_get_version(self)
16135 def set_location(self, location):
16136 r"""set_location(SoftwareProvenance self, std::string location)"""
16137 return _IMP_core.SoftwareProvenance_set_location(self, location)
16139 def get_location(self):
16140 r"""get_location(SoftwareProvenance self) -> std::string"""
16141 return _IMP_core.SoftwareProvenance_get_location(self)
16143 def __init__(self, *args):
16145 __init__(SoftwareProvenance self) -> SoftwareProvenance
16146 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16147 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16149 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16152 def get_is_setup(*args):
16154 get_is_setup(Model m, ParticleIndex pi) -> bool
16155 get_is_setup(_ParticleAdaptor p) -> bool
16157 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16159 def show(self, *args):
16160 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16161 return _IMP_core.SoftwareProvenance_show(self, *args)
16164 def setup_particle(*args):
16166 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16167 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16168 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16169 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16171 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16173 def add_attribute(self, *args):
16175 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16176 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16177 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16178 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16179 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16180 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16181 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16182 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16183 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16184 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16185 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16186 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16188 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16190 def get_value(self, *args):
16192 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16193 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16194 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16195 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16196 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16197 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16198 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16199 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16200 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16201 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16202 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16204 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16206 def set_value(self, *args):
16208 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16209 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16210 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16211 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16212 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16213 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16214 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16215 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16216 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16217 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16218 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16220 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16222 def remove_attribute(self, *args):
16224 remove_attribute(SoftwareProvenance self, FloatKey a0)
16225 remove_attribute(SoftwareProvenance self, IntKey a0)
16226 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16227 remove_attribute(SoftwareProvenance self, IntsKey a0)
16228 remove_attribute(SoftwareProvenance self, StringKey a0)
16229 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16230 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16231 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16232 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16233 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16234 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16236 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16238 def has_attribute(self, *args):
16240 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16241 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16242 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16243 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16244 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16245 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16246 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16247 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16248 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16249 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16250 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16252 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16254 def get_derivative(self, a0):
16255 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16256 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16258 def get_name(self):
16259 r"""get_name(SoftwareProvenance self) -> std::string"""
16260 return _IMP_core.SoftwareProvenance_get_name(self)
16262 def clear_caches(self):
16263 r"""clear_caches(SoftwareProvenance self)"""
16264 return _IMP_core.SoftwareProvenance_clear_caches(self)
16266 def set_name(self, a0):
16267 r"""set_name(SoftwareProvenance self, std::string a0)"""
16268 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16271 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16272 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16274 def add_to_derivative(self, a0, a1, a2):
16275 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16276 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16278 def set_is_optimized(self, a0, a1):
16279 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16280 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16282 def get_is_optimized(self, a0):
16283 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16284 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16287 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16288 return _IMP_core.SoftwareProvenance_get_check_level(self)
16290 def __eq__(self, *args):
16292 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16293 __eq__(SoftwareProvenance self, Particle d) -> bool
16295 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16297 def __ne__(self, *args):
16299 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16300 __ne__(SoftwareProvenance self, Particle d) -> bool
16302 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16304 def __le__(self, *args):
16306 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16307 __le__(SoftwareProvenance self, Particle d) -> bool
16309 return _IMP_core.SoftwareProvenance___le__(self, *args)
16311 def __lt__(self, *args):
16313 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16314 __lt__(SoftwareProvenance self, Particle d) -> bool
16316 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16318 def __ge__(self, *args):
16320 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16321 __ge__(SoftwareProvenance self, Particle d) -> bool
16323 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16325 def __gt__(self, *args):
16327 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16328 __gt__(SoftwareProvenance self, Particle d) -> bool
16330 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16332 def __hash__(self):
16333 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16334 return _IMP_core.SoftwareProvenance___hash__(self)
16337 r"""__str__(SoftwareProvenance self) -> std::string"""
16338 return _IMP_core.SoftwareProvenance___str__(self)
16340 def __repr__(self):
16341 r"""__repr__(SoftwareProvenance self) -> std::string"""
16342 return _IMP_core.SoftwareProvenance___repr__(self)
16344 def _get_as_binary(self):
16345 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16346 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16348 def _set_from_binary(self, p):
16349 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16350 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16352 def __getstate__(self):
16353 p = self._get_as_binary()
16354 if len(self.__dict__) > 1:
16355 d = self.__dict__.copy()
16360 def __setstate__(self, p):
16361 if not hasattr(self,
'this'):
16363 if isinstance(p, tuple):
16365 self.__dict__.update(d)
16366 return self._set_from_binary(p)
16368 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16371 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16373 r"""Proxy of C++ IMP::core::Provenanced class."""
16375 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16377 def get_provenance(self):
16378 r"""get_provenance(Provenanced self) -> Provenance"""
16379 return _IMP_core.Provenanced_get_provenance(self)
16381 def set_provenance(self, p):
16382 r"""set_provenance(Provenanced self, Provenance p)"""
16383 return _IMP_core.Provenanced_set_provenance(self, p)
16385 def __init__(self, *args):
16387 __init__(Provenanced self) -> Provenanced
16388 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16389 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16391 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16394 def get_is_setup(*args):
16396 get_is_setup(Model m, ParticleIndex pi) -> bool
16397 get_is_setup(_ParticleAdaptor p) -> bool
16399 return _IMP_core.Provenanced_get_is_setup(*args)
16401 def show(self, *args):
16402 r"""show(Provenanced self, _ostream out=std::cout)"""
16403 return _IMP_core.Provenanced_show(self, *args)
16406 def setup_particle(*args):
16408 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16409 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16411 return _IMP_core.Provenanced_setup_particle(*args)
16413 def add_attribute(self, *args):
16415 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16416 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16417 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16418 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16419 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16420 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16421 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16422 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16423 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16424 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16425 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16426 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16428 return _IMP_core.Provenanced_add_attribute(self, *args)
16430 def get_value(self, *args):
16432 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16433 get_value(Provenanced self, IntKey a0) -> IMP::Int
16434 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16435 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16436 get_value(Provenanced self, StringKey a0) -> IMP::String
16437 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16438 get_value(Provenanced self, ObjectKey a0) -> Object
16439 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16440 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16441 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16442 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16444 return _IMP_core.Provenanced_get_value(self, *args)
16446 def set_value(self, *args):
16448 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16449 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16450 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16451 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16452 set_value(Provenanced self, StringKey a0, IMP::String a1)
16453 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16454 set_value(Provenanced self, ObjectKey a0, Object a1)
16455 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16456 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16457 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16458 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16460 return _IMP_core.Provenanced_set_value(self, *args)
16462 def remove_attribute(self, *args):
16464 remove_attribute(Provenanced self, FloatKey a0)
16465 remove_attribute(Provenanced self, IntKey a0)
16466 remove_attribute(Provenanced self, FloatsKey a0)
16467 remove_attribute(Provenanced self, IntsKey a0)
16468 remove_attribute(Provenanced self, StringKey a0)
16469 remove_attribute(Provenanced self, ParticleIndexKey a0)
16470 remove_attribute(Provenanced self, ObjectKey a0)
16471 remove_attribute(Provenanced self, SparseFloatKey a0)
16472 remove_attribute(Provenanced self, SparseIntKey a0)
16473 remove_attribute(Provenanced self, SparseStringKey a0)
16474 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16476 return _IMP_core.Provenanced_remove_attribute(self, *args)
16478 def has_attribute(self, *args):
16480 has_attribute(Provenanced self, FloatKey a0) -> bool
16481 has_attribute(Provenanced self, IntKey a0) -> bool
16482 has_attribute(Provenanced self, FloatsKey a0) -> bool
16483 has_attribute(Provenanced self, IntsKey a0) -> bool
16484 has_attribute(Provenanced self, StringKey a0) -> bool
16485 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16486 has_attribute(Provenanced self, ObjectKey a0) -> bool
16487 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16488 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16489 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16490 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16492 return _IMP_core.Provenanced_has_attribute(self, *args)
16494 def get_derivative(self, a0):
16495 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16496 return _IMP_core.Provenanced_get_derivative(self, a0)
16498 def get_name(self):
16499 r"""get_name(Provenanced self) -> std::string"""
16500 return _IMP_core.Provenanced_get_name(self)
16502 def clear_caches(self):
16503 r"""clear_caches(Provenanced self)"""
16504 return _IMP_core.Provenanced_clear_caches(self)
16506 def set_name(self, a0):
16507 r"""set_name(Provenanced self, std::string a0)"""
16508 return _IMP_core.Provenanced_set_name(self, a0)
16511 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16512 return _IMP_core.Provenanced_set_check_level(self, a0)
16514 def add_to_derivative(self, a0, a1, a2):
16515 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16516 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16518 def set_is_optimized(self, a0, a1):
16519 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16520 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16522 def get_is_optimized(self, a0):
16523 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16524 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16527 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16528 return _IMP_core.Provenanced_get_check_level(self)
16530 def __eq__(self, *args):
16532 __eq__(Provenanced self, Provenanced o) -> bool
16533 __eq__(Provenanced self, Particle d) -> bool
16535 return _IMP_core.Provenanced___eq__(self, *args)
16537 def __ne__(self, *args):
16539 __ne__(Provenanced self, Provenanced o) -> bool
16540 __ne__(Provenanced self, Particle d) -> bool
16542 return _IMP_core.Provenanced___ne__(self, *args)
16544 def __le__(self, *args):
16546 __le__(Provenanced self, Provenanced o) -> bool
16547 __le__(Provenanced self, Particle d) -> bool
16549 return _IMP_core.Provenanced___le__(self, *args)
16551 def __lt__(self, *args):
16553 __lt__(Provenanced self, Provenanced o) -> bool
16554 __lt__(Provenanced self, Particle d) -> bool
16556 return _IMP_core.Provenanced___lt__(self, *args)
16558 def __ge__(self, *args):
16560 __ge__(Provenanced self, Provenanced o) -> bool
16561 __ge__(Provenanced self, Particle d) -> bool
16563 return _IMP_core.Provenanced___ge__(self, *args)
16565 def __gt__(self, *args):
16567 __gt__(Provenanced self, Provenanced o) -> bool
16568 __gt__(Provenanced self, Particle d) -> bool
16570 return _IMP_core.Provenanced___gt__(self, *args)
16572 def __hash__(self):
16573 r"""__hash__(Provenanced self) -> std::size_t"""
16574 return _IMP_core.Provenanced___hash__(self)
16577 r"""__str__(Provenanced self) -> std::string"""
16578 return _IMP_core.Provenanced___str__(self)
16580 def __repr__(self):
16581 r"""__repr__(Provenanced self) -> std::string"""
16582 return _IMP_core.Provenanced___repr__(self)
16584 def _get_as_binary(self):
16585 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16586 return _IMP_core.Provenanced__get_as_binary(self)
16588 def _set_from_binary(self, p):
16589 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16590 return _IMP_core.Provenanced__set_from_binary(self, p)
16592 def __getstate__(self):
16593 p = self._get_as_binary()
16594 if len(self.__dict__) > 1:
16595 d = self.__dict__.copy()
16600 def __setstate__(self, p):
16601 if not hasattr(self,
'this'):
16603 if isinstance(p, tuple):
16605 self.__dict__.update(d)
16606 return self._set_from_binary(p)
16608 __swig_destroy__ = _IMP_core.delete_Provenanced
16611 _IMP_core.Provenanced_swigregister(Provenanced)
16614 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16615 return _IMP_core.add_provenance(m, pi, p)
16618 r"""create_clone(Provenance p) -> Provenance"""
16619 return _IMP_core.create_clone(p)
16623 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16624 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16625 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16627 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16630 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16631 return _IMP_core.create_restraint(ps, pp)
16633 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16637 def __init__(self, *args):
16639 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16640 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16642 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16644 def get_version_info(self):
16645 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16646 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16647 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16650 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16651 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16653 def __repr__(self):
16654 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16655 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16659 return _object_cast_to_TruncatedHarmonic(o)
16663 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16665 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16667 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16669 def __init__(self, *args):
16671 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16672 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16674 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16676 def get_version_info(self):
16677 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16678 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16679 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16682 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16683 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16685 def __repr__(self):
16686 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16687 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16691 return _object_cast_to_TruncatedHarmonic(o)
16695 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16697 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16699 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16701 def __init__(self, *args):
16703 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16704 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16706 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16708 def get_version_info(self):
16709 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16710 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16711 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16714 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16715 return _IMP_core.TruncatedHarmonicBound___str__(self)
16717 def __repr__(self):
16718 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16719 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16723 return _object_cast_to_TruncatedHarmonic(o)
16727 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16729 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16733 def __init__(self, *args):
16735 __init__(ParticleType self) -> ParticleType
16736 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16737 __init__(ParticleType self, unsigned int i) -> ParticleType
16739 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16743 r"""add_key(std::string sc) -> unsigned int"""
16744 return _IMP_core.ParticleType_add_key(sc)
16747 def get_key_exists(sc):
16748 r"""get_key_exists(std::string sc) -> bool"""
16749 return _IMP_core.ParticleType_get_key_exists(sc)
16751 def get_string(self):
16752 r"""get_string(ParticleType self) -> std::string const"""
16753 return _IMP_core.ParticleType_get_string(self)
16755 def __cmp__(self, o):
16756 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16757 return _IMP_core.ParticleType___cmp__(self, o)
16759 def __eq__(self, o):
16760 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16761 return _IMP_core.ParticleType___eq__(self, o)
16763 def __ne__(self, o):
16764 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16765 return _IMP_core.ParticleType___ne__(self, o)
16767 def __lt__(self, o):
16768 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16769 return _IMP_core.ParticleType___lt__(self, o)
16771 def __gt__(self, o):
16772 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16773 return _IMP_core.ParticleType___gt__(self, o)
16775 def __ge__(self, o):
16776 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16777 return _IMP_core.ParticleType___ge__(self, o)
16779 def __le__(self, o):
16780 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16781 return _IMP_core.ParticleType___le__(self, o)
16783 def __hash__(self):
16784 r"""__hash__(ParticleType self) -> std::size_t"""
16785 return _IMP_core.ParticleType___hash__(self)
16787 def show(self, *args):
16788 r"""show(ParticleType self, _ostream out=std::cout)"""
16789 return _IMP_core.ParticleType_show(self, *args)
16792 def add_alias(old_key, new_name):
16793 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16794 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16797 def get_number_of_keys():
16798 r"""get_number_of_keys() -> unsigned int"""
16799 return _IMP_core.ParticleType_get_number_of_keys()
16802 r"""get_index(ParticleType self) -> unsigned int"""
16803 return _IMP_core.ParticleType_get_index(self)
16807 r"""show_all(_ostream out)"""
16808 return _IMP_core.ParticleType_show_all(out)
16811 def get_all_strings():
16812 r"""get_all_strings() -> IMP::Vector< std::string >"""
16813 return _IMP_core.ParticleType_get_all_strings()
16816 def get_number_unique():
16817 r"""get_number_unique() -> unsigned int"""
16818 return _IMP_core.ParticleType_get_number_unique()
16821 r"""__str__(ParticleType self) -> std::string"""
16822 return _IMP_core.ParticleType___str__(self)
16824 def __repr__(self):
16825 r"""__repr__(ParticleType self) -> std::string"""
16826 return _IMP_core.ParticleType___repr__(self)
16827 __swig_destroy__ = _IMP_core.delete_ParticleType
16830 _IMP_core.ParticleType_swigregister(ParticleType)
16832 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16835 __repr__ = _swig_repr
16837 def __init__(self, f, k):
16838 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16839 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16841 def do_get_inputs(self, m, pis):
16842 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16843 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16845 def get_unary_function(self):
16846 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16847 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16850 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16851 return _IMP_core.AttributeSingletonScore_get_key(self)
16853 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16854 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"""
16855 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16857 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16858 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"""
16859 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16861 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16862 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"""
16863 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16865 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16866 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"""
16867 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16869 def get_version_info(self):
16870 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16871 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16872 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16876 return _object_cast_to_AttributeSingletonScore(o)
16879 def _get_jax(self, m, indexes):
16880 def score_float_key(jm, key, uf):
16881 return uf(jm[key][indexes])
16883 def score_xyz_key(jm, xyz_index, uf):
16884 return uf(jm[
'xyz'][indexes, xyz_index])
16886 uf = self.get_unary_function().get_derived_object()._get_jax()
16887 key = self.get_key()
16890 if key.get_index() >= 7:
16892 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16893 elif key == XYZR.get_radius_key():
16895 f = functools.partial(score_float_key, key=
'r', uf=uf)
16896 elif key
in XYZ.get_xyz_keys():
16898 xyz_index = XYZ.get_xyz_keys().index(key)
16899 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16901 raise NotImplementedError(
"No support for key %s" % key)
16902 return self._wrap_jax(m, f, keys=need_keys)
16906 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16909 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16910 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16912 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16914 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16915 __repr__ = _swig_repr
16917 def __init__(self, f, bb):
16918 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16919 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16921 def get_unary_function(self):
16922 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16923 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16926 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16927 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16929 def do_get_inputs(self, m, pis):
16930 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16931 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16933 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16934 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"""
16935 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16937 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16938 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"""
16939 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16941 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16942 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"""
16943 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16945 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16946 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"""
16947 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16949 def get_version_info(self):
16950 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16951 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16952 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16956 return _object_cast_to_BoundingBox3DSingletonScore(o)
16959 def _get_jax(self, m, indexes):
16960 import jax.numpy
as jnp
16961 def score(jm, box_min, box_max, uf):
16962 xyzs = jm[
'xyz'][indexes]
16969 drs = jnp.linalg.norm(
16970 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16972 uf = self.get_unary_function().get_derived_object()
16973 bb = self.get_bounding_box()
16974 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16975 box_max=jnp.asarray(bb.get_corner(1)),
16977 return self._wrap_jax(m, f)
16981 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16983 def create_bounding_box_3d_singleton_score(f, bb):
16984 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16985 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16987 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16990 __repr__ = _swig_repr
16992 def __init__(self, f, sphere):
16993 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16994 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16996 def do_get_inputs(self, m, pis):
16997 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16998 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17000 def get_unary_function(self):
17001 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17002 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17004 def get_sphere(self):
17005 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17006 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17008 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17009 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"""
17010 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17012 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17013 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"""
17014 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17016 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17017 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"""
17018 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17020 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17021 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"""
17022 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17024 def get_version_info(self):
17025 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17026 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17027 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17031 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17034 def _get_jax(self, m, indexes):
17035 import jax.numpy
as jnp
17037 def score_with_radius(jm, inds, center, radius):
17038 xyzs = jm[
'xyz'][inds]
17039 radii = jm[
'r'][inds]
17040 drs = jnp.linalg.norm(xyzs - center) + radii - radius
17041 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17042 def score_without_radius(jm, inds, center, radius):
17043 xyzs = jm[
'xyz'][inds]
17044 drs = jnp.linalg.norm(xyzs - center) - radius
17045 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17046 without_radii_inds = []
17047 with_radii_inds = []
17048 for ind
in indexes:
17049 if XYZR.get_is_setup(m, ind):
17050 with_radii_inds.append(ind)
17052 without_radii_inds.append(ind)
17053 without_radii_inds = jnp.asarray(without_radii_inds)
17054 with_radii_inds = jnp.asarray(with_radii_inds)
17055 uf = self.get_unary_function().get_derived_object()._get_jax()
17056 sphere = self.get_sphere()
17057 radius = sphere.get_radius()
17058 center = jnp.asarray(sphere.get_center())
17061 if without_radii_inds.size > 0:
17062 s += score_without_radius(jm, without_radii_inds,
17064 if with_radii_inds.size > 0:
17065 s += score_with_radius(jm, with_radii_inds, center, radius)
17067 return self._wrap_jax(m, score)
17071 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17073 def create_bounding_sphere_3d_singleton_score(f, sphere):
17074 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17075 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17077 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17080 __repr__ = _swig_repr
17082 def __init__(self, *args):
17084 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17085 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17087 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17089 def do_get_inputs(self, m, pis):
17090 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17091 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17093 def get_unary_function(self):
17094 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17095 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17097 def get_point(self):
17098 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17099 return _IMP_core.DistanceToSingletonScore_get_point(self)
17101 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17102 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"""
17103 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17105 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17106 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"""
17107 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17109 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17110 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"""
17111 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17113 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17114 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"""
17115 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17117 def get_version_info(self):
17118 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17119 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17120 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17124 return _object_cast_to_DistanceToSingletonScore(o)
17127 def _get_as_binary(self):
17128 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17129 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17131 def _set_from_binary(self, p):
17132 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17133 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17135 def __getstate__(self):
17136 p = self._get_as_binary()
17137 if len(self.__dict__) > 1:
17138 d = self.__dict__.copy()
17143 def __setstate__(self, p):
17144 if not hasattr(self,
'this'):
17146 if isinstance(p, tuple):
17148 self.__dict__.update(d)
17149 return self._set_from_binary(p)
17152 def _get_jax(self, m, indexes):
17153 import jax.numpy
as jnp
17154 def score(jm, point, uf):
17155 xyzs = jm[
'xyz'][indexes]
17156 drs = jnp.linalg.norm(xyzs - point, axis=1)
17158 uf = self.get_unary_function().get_derived_object()
17159 f = functools.partial(score, point=jnp.array(self.get_point()),
17161 return self._wrap_jax(m, f)
17165 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17167 def create_distance_to_singleton_score(f, pt):
17168 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17169 return _IMP_core.create_distance_to_singleton_score(f, pt)
17171 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17172 def __init__(self, uf):
17173 if isinstance(uf, HarmonicUpperBound):
17174 p = HarmonicUpperBoundSphereDistancePairScore(
17175 uf.get_mean(), uf.get_k())
17176 elif isinstance(uf, HarmonicLowerBound):
17177 if uf.get_mean() == 0.0:
17178 p = SoftSpherePairScore(uf.get_k())
17180 p = _SphereDistancePairScore(uf)
17181 elif isinstance(uf, Harmonic):
17182 p = HarmonicSphereDistancePairScore(
17183 uf.get_mean(), uf.get_k())
17185 p = _SphereDistancePairScore(uf)
17186 self.__dict__[
'_proxied'] = p
17187 def __getattr__(self, key):
17188 return getattr(self._proxied, key)
17189 def __setattr__(self, key, val):
17190 return setattr(self._proxied, key, val)
17192 def __getstate__(self):
17193 return self.__dict__[
'_proxied']
17195 def __setstate__(self, p):
17196 self.__dict__[
'_proxied'] = p
17198 def _get_jax(self, *args, **kwargs):
17199 return self._proxied._get_jax(*args, **kwargs)
17204 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17207 p = HarmonicSphereDistancePairScore.get_from(o)
17210 p = SoftSpherePairScore.get_from(o)
17212 p = _SphereDistancePairScore.get_from(o)
17213 obj = object.__new__(SphereDistancePairScore)
17214 obj.__dict__[
'_proxied'] = p
17220 CombineProvenance, FilterProvenance,
17221 ClusterProvenance, ScriptProvenance,
17222 SoftwareProvenance]):
17223 """Yield all provenance decorators of the given types for the particle.
17224 By default, all provenance types are returned. Provenance is returned
17225 in order, most recent first. If the particle has no provenance
17226 information, an empty generator is returned."""
17227 if Provenanced.get_is_setup(p):
17231 if c.get_is_setup(prov):
17233 prov = prov.get_previous()
17236 """Tag the given particle with the current Python script.
17237 This is a noop if the particle is already so tagged."""
17238 main = sys.modules[
'__main__']
17240 if not hasattr(main,
'__file__'):
17244 if prov.get_filename() == f:
17248 provp.set_name(
'script')
17249 prov = ScriptProvenance.setup_particle(provp, f)
17253 """Tag the given particle with the software used to create it.
17254 This is a noop if the particle is already so tagged."""
17256 if prov.get_software_name() == name
and prov.get_version() == version \
17257 and prov.get_location() == location:
17261 provp.set_name(
'software')
17262 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17266 """Tag the given particle as being created by the current version of IMP."""
17269 location=
"https://integrativemodeling.org")
17272 def get_module_name():
17273 r"""get_module_name() -> std::string const"""
17274 return _IMP_core.get_module_name()
17277 r"""get_module_version() -> std::string const"""
17278 return _IMP_core.get_module_version()
17281 r"""get_example_path(std::string fname) -> std::string"""
17282 return _IMP_core.get_example_path(fname)
17285 r"""get_data_path(std::string fname) -> std::string"""
17286 return _IMP_core.get_data_path(fname)
17288 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.
Provenance create_clone(Provenance p)
Clone provenance (including previous provenance)
ParticlesTemp create_rigid_bodies(Model *m, unsigned int n, bool no_members=false)
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)
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)
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.