17 from sys
import version_info
as _swig_python_version_info
21 import builtins
as __builtin__
27 strthis =
"proxy of " + self.this.__repr__()
28 except __builtin__.Exception:
30 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
33 def _swig_setattr_nondynamic_instance_variable(set):
34 def set_instance_attr(self, name, value):
36 set(self, name, value)
37 elif name ==
"thisown":
39 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
40 set(self, name, value)
42 raise AttributeError(
"You cannot add instance attributes to %s" % self)
43 return set_instance_attr
46 def _swig_setattr_nondynamic_class_variable(set):
47 def set_class_attr(cls, name, value):
48 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
51 raise AttributeError(
"You cannot add class attributes to %s" % cls)
55 def _swig_add_metaclass(metaclass):
56 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
58 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
62 class _SwigNonDynamicMeta(type):
63 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
64 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
69 class IMP_CORE_SwigPyIterator(object):
70 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
72 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
74 def __init__(self, *args, **kwargs):
75 raise AttributeError(
"No constructor defined - class is abstract")
77 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
80 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
81 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
84 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
85 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
88 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
89 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
91 def distance(self, x):
92 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
93 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
96 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
97 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
100 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
101 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
104 r"""next(IMP_CORE_SwigPyIterator self) -> PyObject *"""
105 return _IMP_core.IMP_CORE_SwigPyIterator_next(self)
108 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
109 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
112 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
113 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
115 def advance(self, n):
116 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
117 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
120 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
121 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
124 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
125 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
127 def __iadd__(self, n):
128 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
129 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
131 def __isub__(self, n):
132 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
133 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
135 def __add__(self, n):
136 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
137 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
139 def __sub__(self, *args):
141 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
142 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
144 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
149 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
156 IMP_DEBUG = _IMP_core.IMP_DEBUG
158 IMP_RELEASE = _IMP_core.IMP_RELEASE
160 IMP_SILENT = _IMP_core.IMP_SILENT
162 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
164 IMP_TERSE = _IMP_core.IMP_TERSE
166 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
168 IMP_MEMORY = _IMP_core.IMP_MEMORY
170 IMP_NONE = _IMP_core.IMP_NONE
172 IMP_USAGE = _IMP_core.IMP_USAGE
174 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
176 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
178 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
180 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
182 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
184 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
186 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
188 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
190 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
192 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
194 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
196 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
198 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
202 class _DirectorObjects:
203 """@internal Simple class to keep references to director objects
204 to prevent premature deletion."""
207 def register(self, obj):
208 """Take a reference to a director object; will only work for
209 refcounted C++ classes"""
210 if hasattr(obj,
'get_ref_count'):
211 self._objects.append(obj)
213 """Only drop our reference and allow cleanup by Python if no other
214 Python references exist (we hold 3 references: one in self._objects,
215 one in x, and one in the argument list for getrefcount) *and* no
216 other C++ references exist (the Python object always holds one)"""
217 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
218 or x.get_ref_count() > 1]
222 def get_object_count(self):
223 """Get number of director objects (useful for testing only)"""
224 return len(self._objects)
225 _director_objects = _DirectorObjects()
227 class _ostream(object):
228 r"""Proxy of C++ std::ostream class."""
230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
232 def __init__(self, *args, **kwargs):
233 raise AttributeError(
"No constructor defined")
234 __repr__ = _swig_repr
236 def write(self, osa_buf):
237 r"""write(_ostream self, char const * osa_buf)"""
238 return _IMP_core._ostream_write(self, osa_buf)
241 _IMP_core._ostream_swigregister(_ostream)
242 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
245 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
249 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
251 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
253 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
256 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
258 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
260 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
262 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
283 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
285 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
288 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
298 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
300 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
302 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
305 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
307 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
309 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
311 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
313 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
315 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
317 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
319 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
321 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
324 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
327 __repr__ = _swig_repr
329 def __init__(self, *args):
330 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
331 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
333 def get_version_info(self):
334 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
335 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
336 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
339 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
341 _object_types.append(
"MonteCarloMover")
344 def _object_cast_to_MonteCarloMover(o):
345 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
346 return _IMP_core._object_cast_to_MonteCarloMover(o)
348 MonteCarloMoverResults=list
349 _plural_types.append(
"MonteCarloMoverResults")
350 _value_types.append(
"MonteCarloMoverResult")
353 _object_types.append(
"AngleRestraint")
356 def _object_cast_to_AngleRestraint(o):
357 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
358 return _IMP_core._object_cast_to_AngleRestraint(o)
360 _object_types.append(
"AngleTripletScore")
363 def _object_cast_to_AngleTripletScore(o):
364 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
365 return _IMP_core._object_cast_to_AngleTripletScore(o)
367 _object_types.append(
"AttributeSingletonScore")
370 def _object_cast_to_AttributeSingletonScore(o):
371 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
372 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
374 _object_types.append(
"BallMover")
377 def _object_cast_to_BallMover(o):
378 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
379 return _IMP_core._object_cast_to_BallMover(o)
381 _object_types.append(
"SerialMover")
384 def _object_cast_to_SerialMover(o):
385 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
386 return _IMP_core._object_cast_to_SerialMover(o)
388 _object_types.append(
"SubsetMover")
391 def _object_cast_to_SubsetMover(o):
392 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
393 return _IMP_core._object_cast_to_SubsetMover(o)
395 _object_types.append(
"DirectionMover")
398 def _object_cast_to_DirectionMover(o):
399 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
400 return _IMP_core._object_cast_to_DirectionMover(o)
402 _object_types.append(
"SurfaceMover")
405 def _object_cast_to_SurfaceMover(o):
406 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
407 return _IMP_core._object_cast_to_SurfaceMover(o)
409 _object_types.append(
"BoundingBox3DSingletonScore")
412 def _object_cast_to_BoundingBox3DSingletonScore(o):
413 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
416 _object_types.append(
"BoundingSphere3DSingletonScore")
419 def _object_cast_to_BoundingSphere3DSingletonScore(o):
420 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
421 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
423 _object_types.append(
"BoxSweepClosePairsFinder")
426 def _object_cast_to_BoxSweepClosePairsFinder(o):
427 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
428 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
430 _object_types.append(
"NearestNeighborsClosePairsFinder")
433 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
434 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
435 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
437 _object_types.append(
"CentroidOfRefined")
440 def _object_cast_to_CentroidOfRefined(o):
441 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
442 return _IMP_core._object_cast_to_CentroidOfRefined(o)
444 _object_types.append(
"ChecksScoreState")
447 def _object_cast_to_ChecksScoreState(o):
448 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
449 return _IMP_core._object_cast_to_ChecksScoreState(o)
451 _object_types.append(
"ChildrenRefiner")
454 def _object_cast_to_ChildrenRefiner(o):
455 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
456 return _IMP_core._object_cast_to_ChildrenRefiner(o)
458 _object_types.append(
"ClosePairsFinder")
461 def _object_cast_to_ClosePairsFinder(o):
462 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
463 return _IMP_core._object_cast_to_ClosePairsFinder(o)
465 _object_types.append(
"ClosePairsPairScore")
468 def _object_cast_to_ClosePairsPairScore(o):
469 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
470 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
472 _object_types.append(
"ClosedCubicSpline")
475 def _object_cast_to_ClosedCubicSpline(o):
476 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
477 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
479 _object_types.append(
"ConjugateGradients")
482 def _object_cast_to_ConjugateGradients(o):
483 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
484 return _IMP_core._object_cast_to_ConjugateGradients(o)
486 _object_types.append(
"ConnectivityRestraint")
489 def _object_cast_to_ConnectivityRestraint(o):
490 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
491 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
493 _object_types.append(
"ConstantRestraint")
496 def _object_cast_to_ConstantRestraint(o):
497 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
498 return _IMP_core._object_cast_to_ConstantRestraint(o)
500 _object_types.append(
"Cosine")
503 def _object_cast_to_Cosine(o):
504 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
505 return _IMP_core._object_cast_to_Cosine(o)
507 _object_types.append(
"CoverRefined")
510 def _object_cast_to_CoverRefined(o):
511 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
512 return _IMP_core._object_cast_to_CoverRefined(o)
514 _object_types.append(
"DerivativesFromRefined")
517 def _object_cast_to_DerivativesFromRefined(o):
518 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
519 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
521 _object_types.append(
"DerivativesToRefined")
524 def _object_cast_to_DerivativesToRefined(o):
525 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
526 return _IMP_core._object_cast_to_DerivativesToRefined(o)
528 _object_types.append(
"WeightedDerivativesToRefined")
531 def _object_cast_to_WeightedDerivativesToRefined(o):
532 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
533 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
535 _object_types.append(
"DiameterRestraint")
538 def _object_cast_to_DiameterRestraint(o):
539 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
540 return _IMP_core._object_cast_to_DiameterRestraint(o)
542 _object_types.append(
"DihedralRestraint")
545 def _object_cast_to_DihedralRestraint(o):
546 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
547 return _IMP_core._object_cast_to_DihedralRestraint(o)
549 _object_types.append(
"DistanceRestraint")
552 def _object_cast_to_DistanceRestraint(o):
553 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
554 return _IMP_core._object_cast_to_DistanceRestraint(o)
556 _object_types.append(
"DistanceToSingletonScore")
559 def _object_cast_to_DistanceToSingletonScore(o):
560 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
561 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
563 _object_types.append(
"ExcludedVolumeRestraint")
566 def _object_cast_to_ExcludedVolumeRestraint(o):
567 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
568 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
570 _object_types.append(
"FixedRefiner")
573 def _object_cast_to_FixedRefiner(o):
574 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
575 return _IMP_core._object_cast_to_FixedRefiner(o)
577 _object_types.append(
"GridClosePairsFinder")
580 def _object_cast_to_GridClosePairsFinder(o):
581 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
582 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
584 _object_types.append(
"Harmonic")
587 def _object_cast_to_Harmonic(o):
588 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
589 return _IMP_core._object_cast_to_Harmonic(o)
591 _object_types.append(
"HarmonicWell")
594 def _object_cast_to_HarmonicWell(o):
595 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
596 return _IMP_core._object_cast_to_HarmonicWell(o)
598 _object_types.append(
"HarmonicLowerBound")
601 def _object_cast_to_HarmonicLowerBound(o):
602 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
603 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
605 _object_types.append(
"HarmonicUpperBound")
608 def _object_cast_to_HarmonicUpperBound(o):
609 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
610 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
612 _object_types.append(
"HarmonicSphereDistancePairScore")
615 def _object_cast_to_HarmonicSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
626 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
629 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
630 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
631 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDistancePairScore")
636 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
640 _object_types.append(
"HarmonicSurfaceHeightPairScore")
643 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
647 _object_types.append(
"HarmonicSurfaceDepthPairScore")
650 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
651 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
652 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
654 _object_types.append(
"WeightedSum")
657 def _object_cast_to_WeightedSum(o):
658 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
659 return _IMP_core._object_cast_to_WeightedSum(o)
661 _object_types.append(
"WeightedSumOfExponential")
664 def _object_cast_to_WeightedSumOfExponential(o):
665 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
666 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
668 _object_types.append(
"KClosePairsPairScore")
671 def _object_cast_to_KClosePairsPairScore(o):
672 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
673 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
675 _object_types.append(
"LeavesRefiner")
678 def _object_cast_to_LeavesRefiner(o):
679 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
680 return _IMP_core._object_cast_to_LeavesRefiner(o)
682 _object_types.append(
"Linear")
685 def _object_cast_to_Linear(o):
686 r"""_object_cast_to_Linear(Object o) -> Linear"""
687 return _IMP_core._object_cast_to_Linear(o)
689 _object_types.append(
"LogNormalMover")
692 def _object_cast_to_LogNormalMover(o):
693 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
694 return _IMP_core._object_cast_to_LogNormalMover(o)
696 _object_types.append(
"MCCGSampler")
699 def _object_cast_to_MCCGSampler(o):
700 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
701 return _IMP_core._object_cast_to_MCCGSampler(o)
703 _object_types.append(
"MonteCarlo")
706 def _object_cast_to_MonteCarlo(o):
707 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
708 return _IMP_core._object_cast_to_MonteCarlo(o)
710 _object_types.append(
"MonteCarloWithLocalOptimization")
713 def _object_cast_to_MonteCarloWithLocalOptimization(o):
714 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
715 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
717 _object_types.append(
"MonteCarloWithBasinHopping")
720 def _object_cast_to_MonteCarloWithBasinHopping(o):
721 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
722 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
724 _object_types.append(
"MSConnectivityRestraint")
727 def _object_cast_to_MSConnectivityRestraint(o):
728 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
729 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
731 _object_types.append(
"NeighborsTable")
734 def _object_cast_to_NeighborsTable(o):
735 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
736 return _IMP_core._object_cast_to_NeighborsTable(o)
738 _object_types.append(
"NormalMover")
741 def _object_cast_to_NormalMover(o):
742 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
743 return _IMP_core._object_cast_to_NormalMover(o)
745 _object_types.append(
"NormalizedSphereDistancePairScore")
748 def _object_cast_to_NormalizedSphereDistancePairScore(o):
749 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
750 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
752 _object_types.append(
"OpenCubicSpline")
755 def _object_cast_to_OpenCubicSpline(o):
756 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
757 return _IMP_core._object_cast_to_OpenCubicSpline(o)
759 _object_types.append(
"PairConstraint")
762 def _object_cast_to_PairConstraint(o):
763 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
764 return _IMP_core._object_cast_to_PairConstraint(o)
766 _object_types.append(
"PairRestraint")
769 def _object_cast_to_PairRestraint(o):
770 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
771 return _IMP_core._object_cast_to_PairRestraint(o)
773 _object_types.append(
"QuadConstraint")
776 def _object_cast_to_QuadConstraint(o):
777 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
778 return _IMP_core._object_cast_to_QuadConstraint(o)
780 _object_types.append(
"QuadRestraint")
783 def _object_cast_to_QuadRestraint(o):
784 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
785 return _IMP_core._object_cast_to_QuadRestraint(o)
787 _object_types.append(
"QuadraticClosePairsFinder")
790 def _object_cast_to_QuadraticClosePairsFinder(o):
791 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
792 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
794 _object_types.append(
"RefinedPairsPairScore")
797 def _object_cast_to_RefinedPairsPairScore(o):
798 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
799 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
801 _object_types.append(
"RestraintsScoringFunction")
804 def _object_cast_to_RestraintsScoringFunction(o):
805 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
806 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
808 _object_types.append(
"RigidBodyDistancePairScore")
811 def _object_cast_to_RigidBodyDistancePairScore(o):
812 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
815 _object_types.append(
"RigidBodyAnglePairScore")
818 def _object_cast_to_RigidBodyAnglePairScore(o):
819 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
820 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
822 _object_types.append(
"RigidBodyMover")
825 def _object_cast_to_RigidBodyMover(o):
826 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
827 return _IMP_core._object_cast_to_RigidBodyMover(o)
829 _object_types.append(
"RigidBodyTunneler")
832 def _object_cast_to_RigidBodyTunneler(o):
833 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
834 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
836 _object_types.append(
"RigidBodyUmbrella")
839 def _object_cast_to_RigidBodyUmbrella(o):
840 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
841 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
843 _object_types.append(
"_UpdateRigidBodyMembers")
846 def _object_cast_to__UpdateRigidBodyMembers(o):
847 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
848 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
850 _object_types.append(
"_AccumulateRigidBodyDerivatives")
853 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
854 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
855 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
857 _object_types.append(
"_RigidBodyNormalizeConstraint")
860 def _object_cast_to__RigidBodyNormalizeConstraint(o):
861 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
864 _object_types.append(
"_NormalizeRotation")
867 def _object_cast_to__NormalizeRotation(o):
868 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
869 return _IMP_core._object_cast_to__NormalizeRotation(o)
871 _object_types.append(
"_RigidBodyPositionConstraint")
874 def _object_cast_to__RigidBodyPositionConstraint(o):
875 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
876 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
878 _object_types.append(
"RigidClosePairsFinder")
881 def _object_cast_to_RigidClosePairsFinder(o):
882 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
883 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
885 _object_types.append(
"RigidMembersRefiner")
888 def _object_cast_to_RigidMembersRefiner(o):
889 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
890 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
892 _object_types.append(
"SingletonConstraint")
895 def _object_cast_to_SingletonConstraint(o):
896 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
897 return _IMP_core._object_cast_to_SingletonConstraint(o)
899 _object_types.append(
"SingletonRestraint")
902 def _object_cast_to_SingletonRestraint(o):
903 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
904 return _IMP_core._object_cast_to_SingletonRestraint(o)
906 _object_types.append(
"SoftSpherePairScore")
909 def _object_cast_to_SoftSpherePairScore(o):
910 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
911 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
913 _object_types.append(
"_SphereDistancePairScore")
916 def _object_cast_to__SphereDistancePairScore(o):
917 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
918 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
920 _object_types.append(
"SphereDistanceToSingletonScore")
923 def _object_cast_to_SphereDistanceToSingletonScore(o):
924 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
925 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
927 _object_types.append(
"SoftSubSurfacePairScore")
930 def _object_cast_to_SoftSubSurfacePairScore(o):
931 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
934 _object_types.append(
"SoftSuperSurfacePairScore")
937 def _object_cast_to_SoftSuperSurfacePairScore(o):
938 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
939 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
941 _object_types.append(
"SurfaceDistancePairScore")
944 def _object_cast_to_SurfaceDistancePairScore(o):
945 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
946 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
948 _object_types.append(
"SurfaceHeightPairScore")
951 def _object_cast_to_SurfaceHeightPairScore(o):
952 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
953 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
955 _object_types.append(
"SurfaceDepthPairScore")
958 def _object_cast_to_SurfaceDepthPairScore(o):
959 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
960 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
962 _object_types.append(
"SurfaceTetheredChain")
965 def _object_cast_to_SurfaceTetheredChain(o):
966 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
967 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
969 _object_types.append(
"SurfaceSymmetryConstraint")
972 def _object_cast_to_SurfaceSymmetryConstraint(o):
973 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
974 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
976 _object_types.append(
"SteepestDescent")
979 def _object_cast_to_SteepestDescent(o):
980 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
981 return _IMP_core._object_cast_to_SteepestDescent(o)
983 _object_types.append(
"TableRefiner")
986 def _object_cast_to_TableRefiner(o):
987 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
988 return _IMP_core._object_cast_to_TableRefiner(o)
990 _object_types.append(
"Transform")
993 def _object_cast_to_Transform(o):
994 r"""_object_cast_to_Transform(Object o) -> Transform"""
995 return _IMP_core._object_cast_to_Transform(o)
997 _object_types.append(
"TransformationAndReflectionSymmetry")
1000 def _object_cast_to_TransformationAndReflectionSymmetry(o):
1001 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
1004 _object_types.append(
"TransformationSymmetry")
1007 def _object_cast_to_TransformationSymmetry(o):
1008 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1009 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1011 _object_types.append(
"TransformationSymmetryMover")
1014 def _object_cast_to_TransformationSymmetryMover(o):
1015 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1016 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1018 _object_types.append(
"TransformedDistancePairScore")
1021 def _object_cast_to_TransformedDistancePairScore(o):
1022 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1023 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1025 _object_types.append(
"TripletConstraint")
1028 def _object_cast_to_TripletConstraint(o):
1029 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1030 return _IMP_core._object_cast_to_TripletConstraint(o)
1032 _object_types.append(
"TripletRestraint")
1035 def _object_cast_to_TripletRestraint(o):
1036 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1037 return _IMP_core._object_cast_to_TripletRestraint(o)
1039 _object_types.append(
"TypedPairScore")
1042 def _object_cast_to_TypedPairScore(o):
1043 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1044 return _IMP_core._object_cast_to_TypedPairScore(o)
1046 _object_types.append(
"VolumeRestraint")
1049 def _object_cast_to_VolumeRestraint(o):
1050 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1051 return _IMP_core._object_cast_to_VolumeRestraint(o)
1053 _object_types.append(
"WeightedSphereDistancePairScore")
1056 def _object_cast_to_WeightedSphereDistancePairScore(o):
1057 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1058 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1060 _object_types.append(
"MoveStatisticsScoreState")
1063 def _object_cast_to_MoveStatisticsScoreState(o):
1064 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1065 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1067 _object_types.append(
"MinimumRestraint")
1070 def _object_cast_to_MinimumRestraint(o):
1071 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1072 return _IMP_core._object_cast_to_MinimumRestraint(o)
1074 _object_types.append(
"WriteRestraintScoresOptimizerState")
1077 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1078 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1079 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1081 _object_types.append(
"LateralSurfaceConstraint")
1084 def _object_cast_to_LateralSurfaceConstraint(o):
1085 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1086 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1088 _object_types.append(
"ConstantSingletonPredicate")
1091 def _object_cast_to_ConstantSingletonPredicate(o):
1092 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1093 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1095 _object_types.append(
"ConstantPairPredicate")
1098 def _object_cast_to_ConstantPairPredicate(o):
1099 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1100 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1102 _object_types.append(
"ConstantTripletPredicate")
1105 def _object_cast_to_ConstantTripletPredicate(o):
1106 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1107 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1109 _object_types.append(
"ConstantQuadPredicate")
1112 def _object_cast_to_ConstantQuadPredicate(o):
1113 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1114 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1116 _object_types.append(
"CoinFlipSingletonPredicate")
1119 def _object_cast_to_CoinFlipSingletonPredicate(o):
1120 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1123 _object_types.append(
"CoinFlipPairPredicate")
1126 def _object_cast_to_CoinFlipPairPredicate(o):
1127 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1130 _object_types.append(
"CoinFlipTripletPredicate")
1133 def _object_cast_to_CoinFlipTripletPredicate(o):
1134 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1137 _object_types.append(
"CoinFlipQuadPredicate")
1140 def _object_cast_to_CoinFlipQuadPredicate(o):
1141 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1142 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1144 _object_types.append(
"UnorderedTypeSingletonPredicate")
1147 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1151 _object_types.append(
"UnorderedTypePairPredicate")
1154 def _object_cast_to_UnorderedTypePairPredicate(o):
1155 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1158 _object_types.append(
"UnorderedTypeTripletPredicate")
1161 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1165 _object_types.append(
"UnorderedTypeQuadPredicate")
1168 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1169 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1170 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1172 _object_types.append(
"OrderedTypeSingletonPredicate")
1175 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1176 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1179 _object_types.append(
"OrderedTypePairPredicate")
1182 def _object_cast_to_OrderedTypePairPredicate(o):
1183 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1186 _object_types.append(
"OrderedTypeTripletPredicate")
1189 def _object_cast_to_OrderedTypeTripletPredicate(o):
1190 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1193 _object_types.append(
"OrderedTypeQuadPredicate")
1196 def _object_cast_to_OrderedTypeQuadPredicate(o):
1197 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1198 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1200 _object_types.append(
"AllSameSingletonPredicate")
1203 def _object_cast_to_AllSameSingletonPredicate(o):
1204 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1205 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1207 _object_types.append(
"AllSamePairPredicate")
1210 def _object_cast_to_AllSamePairPredicate(o):
1211 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1212 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1214 _object_types.append(
"AllSameTripletPredicate")
1217 def _object_cast_to_AllSameTripletPredicate(o):
1218 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1219 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1221 _object_types.append(
"AllSameQuadPredicate")
1224 def _object_cast_to_AllSameQuadPredicate(o):
1225 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1226 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1229 return [XYZ(x)
for x
in l]
1230 _plural_types.append(
"XYZs")
1233 _value_types.append(
"XYZ")
1237 return [XYZR(x)
for x
in l]
1238 _plural_types.append(
"XYZRs")
1241 _value_types.append(
"XYZR")
1244 def RigidBodies(l=[]):
1245 return [RigidBody(x)
for x
in l]
1246 _plural_types.append(
"RigidBodies")
1249 _value_types.append(
"RigidBody")
1252 def RigidBodyMembers(l=[]):
1253 return [RigidBodyMember(x)
for x
in l]
1254 _plural_types.append(
"RigidBodyMembers")
1257 _value_types.append(
"RigidBodyMember")
1260 def RigidMembers(l=[]):
1261 return [RigidMember(x)
for x
in l]
1262 _plural_types.append(
"RigidMembers")
1265 _value_types.append(
"RigidMember")
1268 def NonRigidMembers(l=[]):
1269 return [NonRigidMember(x)
for x
in l]
1270 _plural_types.append(
"NonRigidMembers")
1273 _value_types.append(
"NonRigidMember")
1276 def Centroids(l=[]):
1277 return [Centroid(x)
for x
in l]
1278 _plural_types.append(
"Centroids")
1281 _value_types.append(
"Centroid")
1285 return [Cover(x)
for x
in l]
1286 _plural_types.append(
"Covers")
1289 _value_types.append(
"Cover")
1292 def References(l=[]):
1293 return [Reference(x)
for x
in l]
1294 _plural_types.append(
"References")
1297 _value_types.append(
"Reference")
1301 _plural_types.append(
"ParticleTypes")
1302 _value_types.append(
"ParticleType")
1306 return [Typed(x)
for x
in l]
1307 _plural_types.append(
"Typeds")
1310 _value_types.append(
"Typed")
1313 def GenericHierarchies(l=[]):
1314 return [Hierarchy(x)
for x
in l]
1315 _plural_types.append(
"GenericHierarchies")
1318 _value_types.append(
"Hierarchy")
1321 def Gaussians(l=[]):
1322 return [Gaussian(x)
for x
in l]
1323 _plural_types.append(
"Gaussians")
1326 _value_types.append(
"Gaussian")
1329 def Directions(l=[]):
1330 return [Direction(x)
for x
in l]
1331 _plural_types.append(
"Directions")
1334 _value_types.append(
"Direction")
1337 def DirectionAngles(l=[]):
1338 return [DirectionAngle(x)
for x
in l]
1339 _plural_types.append(
"DirectionAngles")
1342 _value_types.append(
"DirectionAngle")
1346 return [Surface(x)
for x
in l]
1347 _plural_types.append(
"Surfaces")
1350 _value_types.append(
"Surface")
1353 def Provenances(l=[]):
1354 return [Provenance(x)
for x
in l]
1355 _plural_types.append(
"Provenances")
1358 _value_types.append(
"Provenance")
1361 def StructureProvenances(l=[]):
1362 return [StructureProvenance(x)
for x
in l]
1363 _plural_types.append(
"StructureProvenances")
1366 _value_types.append(
"StructureProvenance")
1369 def SampleProvenances(l=[]):
1370 return [SampleProvenance(x)
for x
in l]
1371 _plural_types.append(
"SampleProvenances")
1374 _value_types.append(
"SampleProvenance")
1377 def ClusterProvenances(l=[]):
1378 return [ClusterProvenance(x)
for x
in l]
1379 _plural_types.append(
"ClusterProvenances")
1382 _value_types.append(
"ClusterProvenance")
1385 def CombineProvenances(l=[]):
1386 return [CombineProvenance(x)
for x
in l]
1387 _plural_types.append(
"CombineProvenances")
1390 _value_types.append(
"CombineProvenance")
1393 def FilterProvenances(l=[]):
1394 return [FilterProvenance(x)
for x
in l]
1395 _plural_types.append(
"FilterProvenances")
1398 _value_types.append(
"FilterProvenance")
1401 def ScriptProvenances(l=[]):
1402 return [ScriptProvenance(x)
for x
in l]
1403 _plural_types.append(
"ScriptProvenances")
1406 _value_types.append(
"ScriptProvenance")
1409 def SoftwareProvenances(l=[]):
1410 return [SoftwareProvenance(x)
for x
in l]
1411 _plural_types.append(
"SoftwareProvenances")
1414 _value_types.append(
"SoftwareProvenance")
1417 def Provenanceds(l=[]):
1418 return [Provenanced(x)
for x
in l]
1419 _plural_types.append(
"Provenanceds")
1422 _value_types.append(
"Provenanced")
1425 HierarchyCounters=list
1426 _plural_types.append(
"HierarchyCounters")
1427 _value_types.append(
"HierarchyCounter")
1430 HierarchyTraitsList=list
1431 _plural_types.append(
"HierarchyTraitsList")
1432 _value_types.append(
"HierarchyTraits")
1435 _object_types.append(
"TruncatedHarmonicBound")
1438 def _object_cast_to_TruncatedHarmonicBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1442 _object_types.append(
"TruncatedHarmonicLowerBound")
1445 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1449 _object_types.append(
"TruncatedHarmonicUpperBound")
1452 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1453 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1454 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1456 _object_types.append(
"HarmonicDistancePairScore")
1459 def _object_cast_to_HarmonicDistancePairScore(o):
1460 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1461 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1463 _object_types.append(
"DistancePairScore")
1466 def _object_cast_to_DistancePairScore(o):
1467 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1468 return _IMP_core._object_cast_to_DistancePairScore(o)
1470 _object_types.append(
"XYZRGeometry")
1473 def _object_cast_to_XYZRGeometry(o):
1474 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1475 return _IMP_core._object_cast_to_XYZRGeometry(o)
1477 _object_types.append(
"XYZRsGeometry")
1480 def _object_cast_to_XYZRsGeometry(o):
1481 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1482 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1484 _object_types.append(
"XYZDerivativeGeometry")
1487 def _object_cast_to_XYZDerivativeGeometry(o):
1488 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1491 _object_types.append(
"XYZDerivativesGeometry")
1494 def _object_cast_to_XYZDerivativesGeometry(o):
1495 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativeGeometry")
1501 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1505 _object_types.append(
"RigidBodyDerivativesGeometry")
1508 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1509 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1512 _object_types.append(
"RigidBodyHierarchyGeometry")
1515 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1516 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1519 _object_types.append(
"RigidBodyFrameGeometry")
1522 def _object_cast_to_RigidBodyFrameGeometry(o):
1523 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1526 _object_types.append(
"RigidBodyFramesGeometry")
1529 def _object_cast_to_RigidBodyFramesGeometry(o):
1530 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1531 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1533 _object_types.append(
"RigidBodyTorque")
1536 def _object_cast_to_RigidBodyTorque(o):
1537 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1538 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1540 _object_types.append(
"EdgePairGeometry")
1543 def _object_cast_to_EdgePairGeometry(o):
1544 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1547 _object_types.append(
"EdgePairsGeometry")
1550 def _object_cast_to_EdgePairsGeometry(o):
1551 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1552 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1554 _object_types.append(
"SurfaceGeometry")
1557 def _object_cast_to_SurfaceGeometry(o):
1558 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1559 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1561 _object_types.append(
"SurfaceGeometryConstraint")
1564 def _object_cast_to_SurfaceGeometryConstraint(o):
1565 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1566 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1568 _object_types.append(
"AttributeSingletonPredicate")
1571 def _object_cast_to_AttributeSingletonPredicate(o):
1572 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1573 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1575 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1578 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1579 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1580 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1582 _object_types.append(
"IsCollisionPairPredicate")
1585 def _object_cast_to_IsCollisionPairPredicate(o):
1586 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1587 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1589 BinormalTermList=list
1590 _plural_types.append(
"BinormalTermList")
1591 _value_types.append(
"BinormalTerm")
1594 _object_types.append(
"MultipleBinormalRestraint")
1597 def _object_cast_to_MultipleBinormalRestraint(o):
1598 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1599 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1600 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1601 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1605 def __init__(self, *args, **kwargs):
1606 raise AttributeError(
"No constructor defined - class is abstract")
1607 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1609 def get_close_pairs(self, *args):
1611 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1612 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1613 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1614 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1616 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1618 def set_distance(self, d):
1619 r"""set_distance(ClosePairsFinder self, double d)"""
1620 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1623 r"""get_distance(ClosePairsFinder self) -> double"""
1624 return _IMP_core.ClosePairsFinder_get_distance(self)
1625 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)
1626 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1627 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1628 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1630 def remove_pair_filter(self, d):
1631 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1632 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1634 def _python_index_pair_filter(self, d, start, stop):
1635 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1636 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1638 def remove_pair_filters(self, d):
1639 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1640 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1642 def set_pair_filters(self, ps):
1643 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1644 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1646 def set_pair_filters_order(self, objs):
1647 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1648 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1650 def add_pair_filter(self, obj):
1651 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1652 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1654 def add_pair_filters(self, objs):
1655 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1656 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1658 def clear_pair_filters(self):
1659 r"""clear_pair_filters(ClosePairsFinder self)"""
1660 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1662 def get_number_of_pair_filters(self):
1663 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1664 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1666 def get_has_pair_filters(self):
1667 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1668 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1670 def get_pair_filter(self, i):
1671 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1672 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1674 def get_pair_filters(self):
1675 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1676 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1678 def erase_pair_filter(self, i):
1679 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1680 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1682 def reserve_pair_filters(self, sz):
1683 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1684 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1687 r"""__str__(ClosePairsFinder self) -> std::string"""
1688 return _IMP_core.ClosePairsFinder___str__(self)
1691 r"""__repr__(ClosePairsFinder self) -> std::string"""
1692 return _IMP_core.ClosePairsFinder___repr__(self)
1696 return _object_cast_to_ClosePairsFinder(o)
1700 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1701 class MonteCarloMoverResult(IMP._Value):
1702 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1706 def __init__(self, *args):
1707 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1708 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1711 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1712 return _IMP_core.MonteCarloMoverResult___hash__(self)
1714 def show(self, *args):
1715 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1716 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1718 def __cmp__(self, o):
1719 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1720 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1722 def __eq__(self, o):
1723 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1724 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1726 def __ne__(self, o):
1727 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1728 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1730 def __lt__(self, o):
1731 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1732 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1734 def __gt__(self, o):
1735 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1736 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1738 def __ge__(self, o):
1739 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1740 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1742 def __le__(self, o):
1743 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1744 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1746 def get_moved_particles(self):
1747 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1748 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1750 def set_moved_particles(self, v):
1751 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1752 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1754 def get_proposal_ratio(self):
1755 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1756 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1758 def set_proposal_ratio(self, v):
1759 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1760 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1763 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1764 return _IMP_core.MonteCarloMoverResult___str__(self)
1767 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1768 return _IMP_core.MonteCarloMoverResult___repr__(self)
1769 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1772 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1774 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1778 def __init__(self, *args):
1780 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1781 __init__(MonteCarloMover self) -> MonteCarloMover
1783 if self.__class__ == MonteCarloMover:
1787 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1789 if self.__class__ != MonteCarloMover:
1790 _director_objects.register(self)
1796 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1797 return _IMP_core.MonteCarloMover_propose(self)
1800 r"""reject(MonteCarloMover self)"""
1801 return _IMP_core.MonteCarloMover_reject(self)
1804 r"""accept(MonteCarloMover self)"""
1805 return _IMP_core.MonteCarloMover_accept(self)
1807 def get_number_of_proposed(self):
1808 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1809 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1811 def get_number_of_accepted(self):
1812 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1813 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1815 def reset_statistics(self):
1816 r"""reset_statistics(MonteCarloMover self)"""
1817 return _IMP_core.MonteCarloMover_reset_statistics(self)
1819 def add_to_statistics(self, num_proposed, num_rejected):
1820 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1821 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1823 def do_propose(self):
1824 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1825 return _IMP_core.MonteCarloMover_do_propose(self)
1827 def do_reject(self):
1828 r"""do_reject(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_reject(self)
1831 def do_accept(self):
1832 r"""do_accept(MonteCarloMover self)"""
1833 return _IMP_core.MonteCarloMover_do_accept(self)
1835 def do_get_outputs(self):
1836 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1837 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1840 r"""__str__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___str__(self)
1844 r"""__repr__(MonteCarloMover self) -> std::string"""
1845 return _IMP_core.MonteCarloMover___repr__(self)
1849 return _object_cast_to_MonteCarloMover(o)
1852 def do_show(self, out):
1857 return _object_cast_to_MonteCarloMover(o)
1861 """Return a JAX implementation of this mover.
1862 Implement this method in a MonteCarloMover subclass to provide
1863 equivalent functionality using [JAX](https://docs.jax.dev/).
1864 See _wrap_jax for more information.
1866 raise NotImplementedError(f
"No JAX implementation for {self}")
1868 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1869 sync_func=
None, keys=
None):
1870 """Create the return value for _get_jax.
1871 Use this method in _get_jax() to wrap the JAX functions
1872 with other mover-specific information.
1874 @param init_func a JAX function which is used to initialize this
1875 mover. It is called with a single argument, a fresh JAX
1876 random key, and should return a persistent state object.
1877 This object may be the key itself, or any other Python object
1878 that JAX understands.
1879 @param propose_func a JAX function which is called with the current
1880 JAX Model and the mover's persistent state object.
1881 It should return a new JAX Model with the move applied,
1882 a new persistent state, and the proposal ratio. If the move
1883 is rejected then the new JAX Model will be discarded.
1884 However, the mover's persistent state is updated for both
1885 accepted and rejected moves.
1886 @param accept_func if provided, a JAX function which is called
1887 after each accepted Monte Carlo move, with the persistent
1888 state object. It should return a new persistent state.
1889 @param sync_func If provided, a Python function which is called
1890 at the end of a Monte Carlo sampling run to sync mover
1891 data back to IMP. It is called with the persistent state
1892 and the IMP Mover object.
1893 @param keys If given, a set of IMP::Key objects describing Model
1894 attributes (other than xyz and radius) that are altered
1897 from IMP.core._jax_util
import JAXMoverInfo
1898 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1901 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1902 def __disown__(self):
1904 _IMP_core.disown_MonteCarloMover(self)
1905 return weakref.proxy(self)
1907 def do_destroy(self):
1908 r"""do_destroy(MonteCarloMover self)"""
1909 return _IMP_core.MonteCarloMover_do_destroy(self)
1911 def handle_set_has_required_score_states(self, arg0):
1912 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1913 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1915 def do_get_inputs(self):
1916 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1917 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1919 def do_get_interactions(self):
1920 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1921 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1924 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1926 r"""Proxy of C++ IMP::core::XYZ class."""
1928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1931 def get_coordinate_key(i):
1932 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1933 return _IMP_core.XYZ_get_coordinate_key(i)
1935 def __init__(self, *args):
1937 __init__(XYZ self) -> XYZ
1938 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1939 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1941 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1943 def show(self, *args):
1944 r"""show(XYZ self, _ostream out=std::cout)"""
1945 return _IMP_core.XYZ_show(self, *args)
1948 def setup_particle(*args):
1950 setup_particle(Model m, ParticleIndex pi) -> XYZ
1951 setup_particle(_ParticleAdaptor pa) -> XYZ
1952 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1953 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1955 return _IMP_core.XYZ_setup_particle(*args)
1958 r"""get_x(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_x(self)
1962 r"""set_x(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_x(self, t)
1966 r"""get_y(XYZ self) -> IMP::Float"""
1967 return _IMP_core.XYZ_get_y(self)
1970 r"""set_y(XYZ self, IMP::Float t)"""
1971 return _IMP_core.XYZ_set_y(self, t)
1974 r"""get_z(XYZ self) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_z(self)
1978 r"""set_z(XYZ self, IMP::Float t)"""
1979 return _IMP_core.XYZ_set_z(self, t)
1981 def set_coordinate(self, i, v):
1982 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1983 return _IMP_core.XYZ_set_coordinate(self, i, v)
1985 def set_coordinates(self, v):
1986 r"""set_coordinates(XYZ self, Vector3D v)"""
1987 return _IMP_core.XYZ_set_coordinates(self, v)
1989 def get_coordinate(self, i):
1990 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1991 return _IMP_core.XYZ_get_coordinate(self, i)
1993 def add_to_derivatives(self, v, d):
1994 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1995 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1997 def get_coordinates_are_optimized(self):
1998 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1999 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
2001 def set_coordinates_are_optimized(self, tf):
2002 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
2003 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2005 def get_vector_to(self, b):
2006 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2007 return _IMP_core.XYZ_get_vector_to(self, b)
2009 def get_coordinates(self):
2010 r"""get_coordinates(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_coordinates(self)
2013 def get_derivatives(self):
2014 r"""get_derivatives(XYZ self) -> Vector3D"""
2015 return _IMP_core.XYZ_get_derivatives(self)
2018 def get_is_setup(*args):
2020 get_is_setup(_ParticleAdaptor p) -> bool
2021 get_is_setup(Model m, ParticleIndex pi) -> bool
2023 return _IMP_core.XYZ_get_is_setup(*args)
2027 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2028 return _IMP_core.XYZ_get_xyz_keys()
2030 def add_attribute(self, *args):
2032 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2033 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2034 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2035 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2036 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2037 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2038 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2039 add_attribute(XYZ self, ObjectKey a0, Object a1)
2040 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2041 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2042 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2043 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2045 return _IMP_core.XYZ_add_attribute(self, *args)
2047 def get_value(self, *args):
2049 get_value(XYZ self, FloatKey a0) -> IMP::Float
2050 get_value(XYZ self, IntKey a0) -> IMP::Int
2051 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2052 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2053 get_value(XYZ self, StringKey a0) -> IMP::String
2054 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2055 get_value(XYZ self, ObjectKey a0) -> Object
2056 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2057 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2058 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2059 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2061 return _IMP_core.XYZ_get_value(self, *args)
2063 def set_value(self, *args):
2065 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2066 set_value(XYZ self, IntKey a0, IMP::Int a1)
2067 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2068 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2069 set_value(XYZ self, StringKey a0, IMP::String a1)
2070 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2071 set_value(XYZ self, ObjectKey a0, Object a1)
2072 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2073 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2074 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2075 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2077 return _IMP_core.XYZ_set_value(self, *args)
2079 def remove_attribute(self, *args):
2081 remove_attribute(XYZ self, FloatKey a0)
2082 remove_attribute(XYZ self, IntKey a0)
2083 remove_attribute(XYZ self, FloatsKey a0)
2084 remove_attribute(XYZ self, IntsKey a0)
2085 remove_attribute(XYZ self, StringKey a0)
2086 remove_attribute(XYZ self, ParticleIndexKey a0)
2087 remove_attribute(XYZ self, ObjectKey a0)
2088 remove_attribute(XYZ self, SparseFloatKey a0)
2089 remove_attribute(XYZ self, SparseIntKey a0)
2090 remove_attribute(XYZ self, SparseStringKey a0)
2091 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2093 return _IMP_core.XYZ_remove_attribute(self, *args)
2095 def has_attribute(self, *args):
2097 has_attribute(XYZ self, FloatKey a0) -> bool
2098 has_attribute(XYZ self, IntKey a0) -> bool
2099 has_attribute(XYZ self, FloatsKey a0) -> bool
2100 has_attribute(XYZ self, IntsKey a0) -> bool
2101 has_attribute(XYZ self, StringKey a0) -> bool
2102 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2103 has_attribute(XYZ self, ObjectKey a0) -> bool
2104 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2105 has_attribute(XYZ self, SparseIntKey a0) -> bool
2106 has_attribute(XYZ self, SparseStringKey a0) -> bool
2107 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2109 return _IMP_core.XYZ_has_attribute(self, *args)
2111 def get_derivative(self, *args):
2113 get_derivative(XYZ self, int i) -> IMP::Float
2114 get_derivative(XYZ self, FloatKey a0) -> double
2116 return _IMP_core.XYZ_get_derivative(self, *args)
2119 r"""get_name(XYZ self) -> std::string"""
2120 return _IMP_core.XYZ_get_name(self)
2122 def clear_caches(self):
2123 r"""clear_caches(XYZ self)"""
2124 return _IMP_core.XYZ_clear_caches(self)
2126 def set_name(self, a0):
2127 r"""set_name(XYZ self, std::string a0)"""
2128 return _IMP_core.XYZ_set_name(self, a0)
2131 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2132 return _IMP_core.XYZ_set_check_level(self, a0)
2134 def add_to_derivative(self, *args):
2136 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2137 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2139 return _IMP_core.XYZ_add_to_derivative(self, *args)
2141 def set_is_optimized(self, a0, a1):
2142 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2143 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2145 def get_is_optimized(self, a0):
2146 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2147 return _IMP_core.XYZ_get_is_optimized(self, a0)
2150 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2151 return _IMP_core.XYZ_get_check_level(self)
2153 def __eq__(self, *args):
2155 __eq__(XYZ self, XYZ o) -> bool
2156 __eq__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___eq__(self, *args)
2160 def __ne__(self, *args):
2162 __ne__(XYZ self, XYZ o) -> bool
2163 __ne__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___ne__(self, *args)
2167 def __le__(self, *args):
2169 __le__(XYZ self, XYZ o) -> bool
2170 __le__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___le__(self, *args)
2174 def __lt__(self, *args):
2176 __lt__(XYZ self, XYZ o) -> bool
2177 __lt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___lt__(self, *args)
2181 def __ge__(self, *args):
2183 __ge__(XYZ self, XYZ o) -> bool
2184 __ge__(XYZ self, Particle d) -> bool
2186 return _IMP_core.XYZ___ge__(self, *args)
2188 def __gt__(self, *args):
2190 __gt__(XYZ self, XYZ o) -> bool
2191 __gt__(XYZ self, Particle d) -> bool
2193 return _IMP_core.XYZ___gt__(self, *args)
2196 r"""__hash__(XYZ self) -> std::size_t"""
2197 return _IMP_core.XYZ___hash__(self)
2200 r"""__str__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___str__(self)
2204 r"""__repr__(XYZ self) -> std::string"""
2205 return _IMP_core.XYZ___repr__(self)
2207 def _get_as_binary(self):
2208 r"""_get_as_binary(XYZ self) -> PyObject *"""
2209 return _IMP_core.XYZ__get_as_binary(self)
2211 def _set_from_binary(self, p):
2212 r"""_set_from_binary(XYZ self, PyObject * p)"""
2213 return _IMP_core.XYZ__set_from_binary(self, p)
2215 def __getstate__(self):
2216 p = self._get_as_binary()
2217 if len(self.__dict__) > 1:
2218 d = self.__dict__.copy()
2223 def __setstate__(self, p):
2224 if not hasattr(self,
'this'):
2226 if isinstance(p, tuple):
2228 self.__dict__.update(d)
2229 return self._set_from_binary(p)
2231 __swig_destroy__ = _IMP_core.delete_XYZ
2234 _IMP_core.XYZ_swigregister(XYZ)
2237 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2238 return _IMP_core.set_vector_geometry(d, v)
2241 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2242 return _IMP_core.get_vector_geometry(d)
2245 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2246 return _IMP_core.get_dihedral(a, b, c, d)
2248 r"""Proxy of C++ IMP::core::XYZR class."""
2250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2252 def __init__(self, *args):
2254 __init__(XYZR self) -> XYZR
2255 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2256 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2258 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2260 def show(self, *args):
2261 r"""show(XYZR self, _ostream out=std::cout)"""
2262 return _IMP_core.XYZR_show(self, *args)
2265 def setup_particle(*args):
2267 setup_particle(Model m, ParticleIndex pi) -> XYZR
2268 setup_particle(_ParticleAdaptor pa) -> XYZR
2269 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2270 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2271 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2272 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2274 return _IMP_core.XYZR_setup_particle(*args)
2277 def get_is_setup(*args):
2279 get_is_setup(_ParticleAdaptor p) -> bool
2280 get_is_setup(Model m, ParticleIndex pi) -> bool
2282 return _IMP_core.XYZR_get_is_setup(*args)
2284 def get_radius(self):
2285 r"""get_radius(XYZR self) -> double"""
2286 return _IMP_core.XYZR_get_radius(self)
2288 def set_radius(self, r):
2289 r"""set_radius(XYZR self, double r)"""
2290 return _IMP_core.XYZR_set_radius(self, r)
2292 def get_sphere(self):
2293 r"""get_sphere(XYZR self) -> Sphere3D"""
2294 return _IMP_core.XYZR_get_sphere(self)
2296 def set_sphere(self, s):
2297 r"""set_sphere(XYZR self, Sphere3D s)"""
2298 return _IMP_core.XYZR_set_sphere(self, s)
2301 def get_radius_key():
2302 r"""get_radius_key() -> FloatKey"""
2303 return _IMP_core.XYZR_get_radius_key()
2305 def add_to_radius_derivative(self, v, d):
2306 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2307 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2309 def add_attribute(self, *args):
2311 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2312 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2313 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2314 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2315 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2316 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2317 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2318 add_attribute(XYZR self, ObjectKey a0, Object a1)
2319 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2320 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2321 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2322 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2324 return _IMP_core.XYZR_add_attribute(self, *args)
2326 def get_value(self, *args):
2328 get_value(XYZR self, FloatKey a0) -> IMP::Float
2329 get_value(XYZR self, IntKey a0) -> IMP::Int
2330 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2331 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2332 get_value(XYZR self, StringKey a0) -> IMP::String
2333 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2334 get_value(XYZR self, ObjectKey a0) -> Object
2335 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2336 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2337 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2338 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2340 return _IMP_core.XYZR_get_value(self, *args)
2342 def set_value(self, *args):
2344 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2345 set_value(XYZR self, IntKey a0, IMP::Int a1)
2346 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2347 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2348 set_value(XYZR self, StringKey a0, IMP::String a1)
2349 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2350 set_value(XYZR self, ObjectKey a0, Object a1)
2351 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2352 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2353 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2354 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2356 return _IMP_core.XYZR_set_value(self, *args)
2358 def remove_attribute(self, *args):
2360 remove_attribute(XYZR self, FloatKey a0)
2361 remove_attribute(XYZR self, IntKey a0)
2362 remove_attribute(XYZR self, FloatsKey a0)
2363 remove_attribute(XYZR self, IntsKey a0)
2364 remove_attribute(XYZR self, StringKey a0)
2365 remove_attribute(XYZR self, ParticleIndexKey a0)
2366 remove_attribute(XYZR self, ObjectKey a0)
2367 remove_attribute(XYZR self, SparseFloatKey a0)
2368 remove_attribute(XYZR self, SparseIntKey a0)
2369 remove_attribute(XYZR self, SparseStringKey a0)
2370 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2372 return _IMP_core.XYZR_remove_attribute(self, *args)
2374 def has_attribute(self, *args):
2376 has_attribute(XYZR self, FloatKey a0) -> bool
2377 has_attribute(XYZR self, IntKey a0) -> bool
2378 has_attribute(XYZR self, FloatsKey a0) -> bool
2379 has_attribute(XYZR self, IntsKey a0) -> bool
2380 has_attribute(XYZR self, StringKey a0) -> bool
2381 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2382 has_attribute(XYZR self, ObjectKey a0) -> bool
2383 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2384 has_attribute(XYZR self, SparseIntKey a0) -> bool
2385 has_attribute(XYZR self, SparseStringKey a0) -> bool
2386 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2388 return _IMP_core.XYZR_has_attribute(self, *args)
2390 def get_derivative(self, a0):
2391 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2392 return _IMP_core.XYZR_get_derivative(self, a0)
2395 r"""get_name(XYZR self) -> std::string"""
2396 return _IMP_core.XYZR_get_name(self)
2398 def clear_caches(self):
2399 r"""clear_caches(XYZR self)"""
2400 return _IMP_core.XYZR_clear_caches(self)
2402 def set_name(self, a0):
2403 r"""set_name(XYZR self, std::string a0)"""
2404 return _IMP_core.XYZR_set_name(self, a0)
2407 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2408 return _IMP_core.XYZR_set_check_level(self, a0)
2410 def add_to_derivative(self, a0, a1, a2):
2411 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2412 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2414 def set_is_optimized(self, a0, a1):
2415 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2416 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2418 def get_is_optimized(self, a0):
2419 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2420 return _IMP_core.XYZR_get_is_optimized(self, a0)
2423 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2424 return _IMP_core.XYZR_get_check_level(self)
2426 def __eq__(self, *args):
2428 __eq__(XYZR self, XYZR o) -> bool
2429 __eq__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___eq__(self, *args)
2433 def __ne__(self, *args):
2435 __ne__(XYZR self, XYZR o) -> bool
2436 __ne__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___ne__(self, *args)
2440 def __le__(self, *args):
2442 __le__(XYZR self, XYZR o) -> bool
2443 __le__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___le__(self, *args)
2447 def __lt__(self, *args):
2449 __lt__(XYZR self, XYZR o) -> bool
2450 __lt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___lt__(self, *args)
2454 def __ge__(self, *args):
2456 __ge__(XYZR self, XYZR o) -> bool
2457 __ge__(XYZR self, Particle d) -> bool
2459 return _IMP_core.XYZR___ge__(self, *args)
2461 def __gt__(self, *args):
2463 __gt__(XYZR self, XYZR o) -> bool
2464 __gt__(XYZR self, Particle d) -> bool
2466 return _IMP_core.XYZR___gt__(self, *args)
2469 r"""__hash__(XYZR self) -> std::size_t"""
2470 return _IMP_core.XYZR___hash__(self)
2473 r"""__str__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___str__(self)
2477 r"""__repr__(XYZR self) -> std::string"""
2478 return _IMP_core.XYZR___repr__(self)
2480 def _get_as_binary(self):
2481 r"""_get_as_binary(XYZR self) -> PyObject *"""
2482 return _IMP_core.XYZR__get_as_binary(self)
2484 def _set_from_binary(self, p):
2485 r"""_set_from_binary(XYZR self, PyObject * p)"""
2486 return _IMP_core.XYZR__set_from_binary(self, p)
2488 def __getstate__(self):
2489 p = self._get_as_binary()
2490 if len(self.__dict__) > 1:
2491 d = self.__dict__.copy()
2496 def __setstate__(self, p):
2497 if not hasattr(self,
'this'):
2499 if isinstance(p, tuple):
2501 self.__dict__.update(d)
2502 return self._set_from_binary(p)
2504 __swig_destroy__ = _IMP_core.delete_XYZR
2507 _IMP_core.XYZR_swigregister(XYZR)
2510 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2511 return _IMP_core.set_enclosing_sphere(b, v, slack)
2514 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2515 return _IMP_core.set_enclosing_radius(b, v)
2518 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2519 return _IMP_core.get_enclosing_sphere(v)
2522 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2523 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2525 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2529 def __init__(self, *args):
2531 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2532 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2534 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2536 def get_version_info(self):
2537 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2538 return _IMP_core.XYZRGeometry_get_version_info(self)
2539 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2542 r"""__str__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___str__(self)
2546 r"""__repr__(XYZRGeometry self) -> std::string"""
2547 return _IMP_core.XYZRGeometry___repr__(self)
2551 return _object_cast_to_XYZRGeometry(o)
2555 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2557 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2561 def __init__(self, sc):
2562 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2563 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2565 def get_version_info(self):
2566 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2567 return _IMP_core.XYZRsGeometry_get_version_info(self)
2568 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2571 r"""__str__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___str__(self)
2575 r"""__repr__(XYZRsGeometry self) -> std::string"""
2576 return _IMP_core.XYZRsGeometry___repr__(self)
2580 return _object_cast_to_XYZRsGeometry(o)
2584 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2586 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2590 def __init__(self, *args):
2592 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2593 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2595 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2597 def get_version_info(self):
2598 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2599 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2600 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2603 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___str__(self)
2607 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2608 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2612 return _object_cast_to_XYZDerivativeGeometry(o)
2616 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2618 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2622 def __init__(self, sc):
2623 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2624 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2626 def get_version_info(self):
2627 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2628 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2629 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2632 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___str__(self)
2636 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2637 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2641 return _object_cast_to_XYZDerivativesGeometry(o)
2645 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2647 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2651 def __init__(self, pp):
2652 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2653 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2655 def get_version_info(self):
2656 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2657 return _IMP_core.EdgePairGeometry_get_version_info(self)
2658 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2661 r"""__str__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___str__(self)
2665 r"""__repr__(EdgePairGeometry self) -> std::string"""
2666 return _IMP_core.EdgePairGeometry___repr__(self)
2670 return _object_cast_to_EdgePairGeometry(o)
2674 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2676 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2680 def __init__(self, sc):
2681 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2682 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2684 def get_version_info(self):
2685 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2686 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2687 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2690 r"""__str__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___str__(self)
2694 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2695 return _IMP_core.EdgePairsGeometry___repr__(self)
2699 return _object_cast_to_EdgePairsGeometry(o)
2703 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2705 r"""Proxy of C++ IMP::core::Direction class."""
2707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2710 def do_setup_particle(m, pi, v):
2711 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2712 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2714 def __init__(self, *args):
2716 __init__(Direction self) -> Direction
2717 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2718 __init__(Direction self, _ParticleAdaptor d) -> Direction
2720 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2722 def show(self, *args):
2723 r"""show(Direction self, _ostream out=std::cout)"""
2724 return _IMP_core.Direction_show(self, *args)
2727 def setup_particle(*args):
2729 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2730 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2732 return _IMP_core.Direction_setup_particle(*args)
2735 def get_is_setup(*args):
2737 get_is_setup(_ParticleAdaptor p) -> bool
2738 get_is_setup(Model m, ParticleIndex pi) -> bool
2740 return _IMP_core.Direction_get_is_setup(*args)
2743 def get_direction_key(i):
2744 r"""get_direction_key(unsigned int i) -> FloatKey"""
2745 return _IMP_core.Direction_get_direction_key(i)
2747 def get_direction_derivative(self, i):
2748 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2749 return _IMP_core.Direction_get_direction_derivative(self, i)
2751 def get_direction_derivatives(self):
2752 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2753 return _IMP_core.Direction_get_direction_derivatives(self)
2755 def add_to_direction_derivative(self, i, v, d):
2756 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2759 def add_to_direction_derivatives(self, v, d):
2760 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2761 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2763 def get_direction_is_optimized(self):
2764 r"""get_direction_is_optimized(Direction self) -> bool"""
2765 return _IMP_core.Direction_get_direction_is_optimized(self)
2767 def set_direction_is_optimized(self, tf):
2768 r"""set_direction_is_optimized(Direction self, bool tf)"""
2769 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2771 def get_direction(self):
2772 r"""get_direction(Direction self) -> Vector3D"""
2773 return _IMP_core.Direction_get_direction(self)
2775 def set_direction(self, v):
2776 r"""set_direction(Direction self, Vector3D v)"""
2777 return _IMP_core.Direction_set_direction(self, v)
2780 r"""reflect(Direction self)"""
2781 return _IMP_core.Direction_reflect(self)
2783 def add_attribute(self, *args):
2785 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2786 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2787 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2788 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2789 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2790 add_attribute(Direction self, StringKey a0, IMP::String a1)
2791 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2792 add_attribute(Direction self, ObjectKey a0, Object a1)
2793 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2794 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2795 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2796 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2798 return _IMP_core.Direction_add_attribute(self, *args)
2800 def get_value(self, *args):
2802 get_value(Direction self, FloatKey a0) -> IMP::Float
2803 get_value(Direction self, IntKey a0) -> IMP::Int
2804 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2805 get_value(Direction self, IntsKey a0) -> IMP::Ints
2806 get_value(Direction self, StringKey a0) -> IMP::String
2807 get_value(Direction self, ParticleIndexKey a0) -> Particle
2808 get_value(Direction self, ObjectKey a0) -> Object
2809 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2810 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2811 get_value(Direction self, SparseStringKey a0) -> IMP::String
2812 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2814 return _IMP_core.Direction_get_value(self, *args)
2816 def set_value(self, *args):
2818 set_value(Direction self, FloatKey a0, IMP::Float a1)
2819 set_value(Direction self, IntKey a0, IMP::Int a1)
2820 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2821 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2822 set_value(Direction self, StringKey a0, IMP::String a1)
2823 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2824 set_value(Direction self, ObjectKey a0, Object a1)
2825 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2826 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2827 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2828 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2830 return _IMP_core.Direction_set_value(self, *args)
2832 def remove_attribute(self, *args):
2834 remove_attribute(Direction self, FloatKey a0)
2835 remove_attribute(Direction self, IntKey a0)
2836 remove_attribute(Direction self, FloatsKey a0)
2837 remove_attribute(Direction self, IntsKey a0)
2838 remove_attribute(Direction self, StringKey a0)
2839 remove_attribute(Direction self, ParticleIndexKey a0)
2840 remove_attribute(Direction self, ObjectKey a0)
2841 remove_attribute(Direction self, SparseFloatKey a0)
2842 remove_attribute(Direction self, SparseIntKey a0)
2843 remove_attribute(Direction self, SparseStringKey a0)
2844 remove_attribute(Direction self, SparseParticleIndexKey a0)
2846 return _IMP_core.Direction_remove_attribute(self, *args)
2848 def has_attribute(self, *args):
2850 has_attribute(Direction self, FloatKey a0) -> bool
2851 has_attribute(Direction self, IntKey a0) -> bool
2852 has_attribute(Direction self, FloatsKey a0) -> bool
2853 has_attribute(Direction self, IntsKey a0) -> bool
2854 has_attribute(Direction self, StringKey a0) -> bool
2855 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2856 has_attribute(Direction self, ObjectKey a0) -> bool
2857 has_attribute(Direction self, SparseFloatKey a0) -> bool
2858 has_attribute(Direction self, SparseIntKey a0) -> bool
2859 has_attribute(Direction self, SparseStringKey a0) -> bool
2860 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2862 return _IMP_core.Direction_has_attribute(self, *args)
2864 def get_derivative(self, a0):
2865 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2866 return _IMP_core.Direction_get_derivative(self, a0)
2869 r"""get_name(Direction self) -> std::string"""
2870 return _IMP_core.Direction_get_name(self)
2872 def clear_caches(self):
2873 r"""clear_caches(Direction self)"""
2874 return _IMP_core.Direction_clear_caches(self)
2876 def set_name(self, a0):
2877 r"""set_name(Direction self, std::string a0)"""
2878 return _IMP_core.Direction_set_name(self, a0)
2881 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2882 return _IMP_core.Direction_set_check_level(self, a0)
2884 def add_to_derivative(self, a0, a1, a2):
2885 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2886 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2888 def set_is_optimized(self, a0, a1):
2889 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2890 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2892 def get_is_optimized(self, a0):
2893 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2894 return _IMP_core.Direction_get_is_optimized(self, a0)
2897 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2898 return _IMP_core.Direction_get_check_level(self)
2900 def __eq__(self, *args):
2902 __eq__(Direction self, Direction o) -> bool
2903 __eq__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___eq__(self, *args)
2907 def __ne__(self, *args):
2909 __ne__(Direction self, Direction o) -> bool
2910 __ne__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___ne__(self, *args)
2914 def __le__(self, *args):
2916 __le__(Direction self, Direction o) -> bool
2917 __le__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___le__(self, *args)
2921 def __lt__(self, *args):
2923 __lt__(Direction self, Direction o) -> bool
2924 __lt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___lt__(self, *args)
2928 def __ge__(self, *args):
2930 __ge__(Direction self, Direction o) -> bool
2931 __ge__(Direction self, Particle d) -> bool
2933 return _IMP_core.Direction___ge__(self, *args)
2935 def __gt__(self, *args):
2937 __gt__(Direction self, Direction o) -> bool
2938 __gt__(Direction self, Particle d) -> bool
2940 return _IMP_core.Direction___gt__(self, *args)
2943 r"""__hash__(Direction self) -> std::size_t"""
2944 return _IMP_core.Direction___hash__(self)
2947 r"""__str__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___str__(self)
2951 r"""__repr__(Direction self) -> std::string"""
2952 return _IMP_core.Direction___repr__(self)
2954 def _get_as_binary(self):
2955 r"""_get_as_binary(Direction self) -> PyObject *"""
2956 return _IMP_core.Direction__get_as_binary(self)
2958 def _set_from_binary(self, p):
2959 r"""_set_from_binary(Direction self, PyObject * p)"""
2960 return _IMP_core.Direction__set_from_binary(self, p)
2962 def __getstate__(self):
2963 p = self._get_as_binary()
2964 if len(self.__dict__) > 1:
2965 d = self.__dict__.copy()
2970 def __setstate__(self, p):
2971 if not hasattr(self,
'this'):
2973 if isinstance(p, tuple):
2975 self.__dict__.update(d)
2976 return self._set_from_binary(p)
2978 __swig_destroy__ = _IMP_core.delete_Direction
2981 _IMP_core.Direction_swigregister(Direction)
2984 r"""get_angle(Direction a, Direction b) -> double"""
2985 return _IMP_core.get_angle(a, b)
2987 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2991 def __init__(self, *args):
2993 __init__(DirectionAngle self) -> DirectionAngle
2994 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2995 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2997 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2999 def show(self, *args):
3000 r"""show(DirectionAngle self, _ostream out=std::cout)"""
3001 return _IMP_core.DirectionAngle_show(self, *args)
3004 def setup_particle(*args):
3006 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3007 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3008 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3009 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3011 return _IMP_core.DirectionAngle_setup_particle(*args)
3014 def get_is_setup(*args):
3016 get_is_setup(_ParticleAdaptor p) -> bool
3017 get_is_setup(Model m, ParticleIndex pi) -> bool
3019 return _IMP_core.DirectionAngle_get_is_setup(*args)
3022 def get_angle_key():
3023 r"""get_angle_key() -> FloatKey"""
3024 return _IMP_core.DirectionAngle_get_angle_key()
3027 def get_particle_key(i):
3028 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3029 return _IMP_core.DirectionAngle_get_particle_key(i)
3031 def get_particle(self, *args):
3033 get_particle(DirectionAngle self, unsigned int i) -> Particle
3034 get_particle(DirectionAngle self) -> Particle
3036 return _IMP_core.DirectionAngle_get_particle(self, *args)
3038 def get_particle_index(self, *args):
3040 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3041 get_particle_index(DirectionAngle self) -> ParticleIndex
3043 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3046 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle(self)
3049 def get_angle_derivative(self):
3050 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3051 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3053 def add_to_angle_derivative(self, v, d):
3054 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3055 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3057 def add_attribute(self, *args):
3059 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3060 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3061 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3062 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3063 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3064 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3065 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3066 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3067 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3068 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3069 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3070 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3072 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3074 def get_value(self, *args):
3076 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3077 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3078 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3079 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3080 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3081 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3082 get_value(DirectionAngle self, ObjectKey a0) -> Object
3083 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3084 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3085 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3086 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3088 return _IMP_core.DirectionAngle_get_value(self, *args)
3090 def set_value(self, *args):
3092 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3093 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3094 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3095 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3096 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3097 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3098 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3099 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3100 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3101 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3102 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3104 return _IMP_core.DirectionAngle_set_value(self, *args)
3106 def remove_attribute(self, *args):
3108 remove_attribute(DirectionAngle self, FloatKey a0)
3109 remove_attribute(DirectionAngle self, IntKey a0)
3110 remove_attribute(DirectionAngle self, FloatsKey a0)
3111 remove_attribute(DirectionAngle self, IntsKey a0)
3112 remove_attribute(DirectionAngle self, StringKey a0)
3113 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3114 remove_attribute(DirectionAngle self, ObjectKey a0)
3115 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3116 remove_attribute(DirectionAngle self, SparseIntKey a0)
3117 remove_attribute(DirectionAngle self, SparseStringKey a0)
3118 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3120 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3122 def has_attribute(self, *args):
3124 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3125 has_attribute(DirectionAngle self, IntKey a0) -> bool
3126 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3127 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3128 has_attribute(DirectionAngle self, StringKey a0) -> bool
3129 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3130 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3131 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3132 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3133 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3134 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3136 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3138 def get_derivative(self, a0):
3139 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3140 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3143 r"""get_name(DirectionAngle self) -> std::string"""
3144 return _IMP_core.DirectionAngle_get_name(self)
3146 def clear_caches(self):
3147 r"""clear_caches(DirectionAngle self)"""
3148 return _IMP_core.DirectionAngle_clear_caches(self)
3150 def set_name(self, a0):
3151 r"""set_name(DirectionAngle self, std::string a0)"""
3152 return _IMP_core.DirectionAngle_set_name(self, a0)
3155 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3156 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3158 def add_to_derivative(self, a0, a1, a2):
3159 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3160 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3162 def set_is_optimized(self, a0, a1):
3163 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3164 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3166 def get_is_optimized(self, a0):
3167 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3168 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3171 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3172 return _IMP_core.DirectionAngle_get_check_level(self)
3174 def __eq__(self, *args):
3176 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3177 __eq__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___eq__(self, *args)
3181 def __ne__(self, *args):
3183 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3184 __ne__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___ne__(self, *args)
3188 def __le__(self, *args):
3190 __le__(DirectionAngle self, DirectionAngle o) -> bool
3191 __le__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___le__(self, *args)
3195 def __lt__(self, *args):
3197 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __lt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___lt__(self, *args)
3202 def __ge__(self, *args):
3204 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3205 __ge__(DirectionAngle self, Particle d) -> bool
3207 return _IMP_core.DirectionAngle___ge__(self, *args)
3209 def __gt__(self, *args):
3211 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3212 __gt__(DirectionAngle self, Particle d) -> bool
3214 return _IMP_core.DirectionAngle___gt__(self, *args)
3217 r"""__hash__(DirectionAngle self) -> std::size_t"""
3218 return _IMP_core.DirectionAngle___hash__(self)
3221 r"""__str__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___str__(self)
3225 r"""__repr__(DirectionAngle self) -> std::string"""
3226 return _IMP_core.DirectionAngle___repr__(self)
3228 def _get_as_binary(self):
3229 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3230 return _IMP_core.DirectionAngle__get_as_binary(self)
3232 def _set_from_binary(self, p):
3233 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3234 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3236 def __getstate__(self):
3237 p = self._get_as_binary()
3238 if len(self.__dict__) > 1:
3239 d = self.__dict__.copy()
3244 def __setstate__(self, p):
3245 if not hasattr(self,
'this'):
3247 if isinstance(p, tuple):
3249 self.__dict__.update(d)
3250 return self._set_from_binary(p)
3252 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3255 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3257 r"""Proxy of C++ IMP::core::Surface class."""
3259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3262 def do_setup_particle(*args):
3264 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3265 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3267 return _IMP_core.Surface_do_setup_particle(*args)
3269 def __init__(self, *args):
3271 __init__(Surface self) -> Surface
3272 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3273 __init__(Surface self, _ParticleAdaptor d) -> Surface
3275 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3277 def show(self, *args):
3278 r"""show(Surface self, _ostream out=std::cout)"""
3279 return _IMP_core.Surface_show(self, *args)
3282 def setup_particle(*args):
3284 setup_particle(Model m, ParticleIndex pi) -> Surface
3285 setup_particle(_ParticleAdaptor pa) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3287 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3288 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3289 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3290 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3291 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3293 return _IMP_core.Surface_setup_particle(*args)
3295 def get_normal_x(self):
3296 r"""get_normal_x(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_x(self)
3299 def set_normal_x(self, t):
3300 r"""set_normal_x(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_x(self, t)
3303 def get_normal_y(self):
3304 r"""get_normal_y(Surface self) -> IMP::Float"""
3305 return _IMP_core.Surface_get_normal_y(self)
3307 def set_normal_y(self, t):
3308 r"""set_normal_y(Surface self, IMP::Float t)"""
3309 return _IMP_core.Surface_set_normal_y(self, t)
3311 def get_normal_z(self):
3312 r"""get_normal_z(Surface self) -> IMP::Float"""
3313 return _IMP_core.Surface_get_normal_z(self)
3315 def set_normal_z(self, t):
3316 r"""set_normal_z(Surface self, IMP::Float t)"""
3317 return _IMP_core.Surface_set_normal_z(self, t)
3320 def get_is_setup(*args):
3322 get_is_setup(_ParticleAdaptor p) -> bool
3323 get_is_setup(Model m, ParticleIndex pi) -> bool
3325 return _IMP_core.Surface_get_is_setup(*args)
3328 def get_normal_key(i):
3329 r"""get_normal_key(unsigned int i) -> FloatKey"""
3330 return _IMP_core.Surface_get_normal_key(i)
3332 def get_normal_derivative(self, i):
3333 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3334 return _IMP_core.Surface_get_normal_derivative(self, i)
3336 def get_normal_derivatives(self):
3337 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3338 return _IMP_core.Surface_get_normal_derivatives(self)
3340 def add_to_normal_derivative(self, i, v, d):
3341 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3344 def add_to_normal_derivatives(self, v, d):
3345 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3346 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3348 def get_normal_is_optimized(self):
3349 r"""get_normal_is_optimized(Surface self) -> bool"""
3350 return _IMP_core.Surface_get_normal_is_optimized(self)
3352 def set_normal_is_optimized(self, tf):
3353 r"""set_normal_is_optimized(Surface self, bool tf)"""
3354 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3356 def get_normal(self):
3357 r"""get_normal(Surface self) -> Vector3D"""
3358 return _IMP_core.Surface_get_normal(self)
3360 def set_normal(self, normal):
3361 r"""set_normal(Surface self, Vector3D normal)"""
3362 return _IMP_core.Surface_set_normal(self, normal)
3365 r"""reflect(Surface self)"""
3366 return _IMP_core.Surface_reflect(self)
3369 r"""get_height(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_height(self, v)
3373 r"""get_depth(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_depth(self, v)
3376 def get_distance_to(self, v):
3377 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to(self, v)
3380 def get_distance_to_center(self, v):
3381 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3382 return _IMP_core.Surface_get_distance_to_center(self, v)
3384 def set_reference_frame(self, rf):
3385 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3386 return _IMP_core.Surface_set_reference_frame(self, rf)
3388 def get_reference_frame(self):
3389 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3390 return _IMP_core.Surface_get_reference_frame(self)
3392 def get_plane(self):
3393 r"""get_plane(Surface self) -> Plane3D"""
3394 return _IMP_core.Surface_get_plane(self)
3396 def add_attribute(self, *args):
3398 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3399 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3400 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3401 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3402 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3403 add_attribute(Surface self, StringKey a0, IMP::String a1)
3404 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3405 add_attribute(Surface self, ObjectKey a0, Object a1)
3406 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3407 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3408 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3409 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3411 return _IMP_core.Surface_add_attribute(self, *args)
3413 def get_value(self, *args):
3415 get_value(Surface self, FloatKey a0) -> IMP::Float
3416 get_value(Surface self, IntKey a0) -> IMP::Int
3417 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3418 get_value(Surface self, IntsKey a0) -> IMP::Ints
3419 get_value(Surface self, StringKey a0) -> IMP::String
3420 get_value(Surface self, ParticleIndexKey a0) -> Particle
3421 get_value(Surface self, ObjectKey a0) -> Object
3422 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3423 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3424 get_value(Surface self, SparseStringKey a0) -> IMP::String
3425 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3427 return _IMP_core.Surface_get_value(self, *args)
3429 def set_value(self, *args):
3431 set_value(Surface self, FloatKey a0, IMP::Float a1)
3432 set_value(Surface self, IntKey a0, IMP::Int a1)
3433 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3434 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3435 set_value(Surface self, StringKey a0, IMP::String a1)
3436 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3437 set_value(Surface self, ObjectKey a0, Object a1)
3438 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3439 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3440 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3441 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3443 return _IMP_core.Surface_set_value(self, *args)
3445 def remove_attribute(self, *args):
3447 remove_attribute(Surface self, FloatKey a0)
3448 remove_attribute(Surface self, IntKey a0)
3449 remove_attribute(Surface self, FloatsKey a0)
3450 remove_attribute(Surface self, IntsKey a0)
3451 remove_attribute(Surface self, StringKey a0)
3452 remove_attribute(Surface self, ParticleIndexKey a0)
3453 remove_attribute(Surface self, ObjectKey a0)
3454 remove_attribute(Surface self, SparseFloatKey a0)
3455 remove_attribute(Surface self, SparseIntKey a0)
3456 remove_attribute(Surface self, SparseStringKey a0)
3457 remove_attribute(Surface self, SparseParticleIndexKey a0)
3459 return _IMP_core.Surface_remove_attribute(self, *args)
3461 def has_attribute(self, *args):
3463 has_attribute(Surface self, FloatKey a0) -> bool
3464 has_attribute(Surface self, IntKey a0) -> bool
3465 has_attribute(Surface self, FloatsKey a0) -> bool
3466 has_attribute(Surface self, IntsKey a0) -> bool
3467 has_attribute(Surface self, StringKey a0) -> bool
3468 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3469 has_attribute(Surface self, ObjectKey a0) -> bool
3470 has_attribute(Surface self, SparseFloatKey a0) -> bool
3471 has_attribute(Surface self, SparseIntKey a0) -> bool
3472 has_attribute(Surface self, SparseStringKey a0) -> bool
3473 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3475 return _IMP_core.Surface_has_attribute(self, *args)
3477 def get_derivative(self, a0):
3478 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3479 return _IMP_core.Surface_get_derivative(self, a0)
3482 r"""get_name(Surface self) -> std::string"""
3483 return _IMP_core.Surface_get_name(self)
3485 def clear_caches(self):
3486 r"""clear_caches(Surface self)"""
3487 return _IMP_core.Surface_clear_caches(self)
3489 def set_name(self, a0):
3490 r"""set_name(Surface self, std::string a0)"""
3491 return _IMP_core.Surface_set_name(self, a0)
3494 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3495 return _IMP_core.Surface_set_check_level(self, a0)
3497 def add_to_derivative(self, a0, a1, a2):
3498 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3499 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3501 def set_is_optimized(self, a0, a1):
3502 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3503 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3505 def get_is_optimized(self, a0):
3506 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3507 return _IMP_core.Surface_get_is_optimized(self, a0)
3510 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3511 return _IMP_core.Surface_get_check_level(self)
3513 def __eq__(self, *args):
3515 __eq__(Surface self, Surface o) -> bool
3516 __eq__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___eq__(self, *args)
3520 def __ne__(self, *args):
3522 __ne__(Surface self, Surface o) -> bool
3523 __ne__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___ne__(self, *args)
3527 def __le__(self, *args):
3529 __le__(Surface self, Surface o) -> bool
3530 __le__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___le__(self, *args)
3534 def __lt__(self, *args):
3536 __lt__(Surface self, Surface o) -> bool
3537 __lt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___lt__(self, *args)
3541 def __ge__(self, *args):
3543 __ge__(Surface self, Surface o) -> bool
3544 __ge__(Surface self, Particle d) -> bool
3546 return _IMP_core.Surface___ge__(self, *args)
3548 def __gt__(self, *args):
3550 __gt__(Surface self, Surface o) -> bool
3551 __gt__(Surface self, Particle d) -> bool
3553 return _IMP_core.Surface___gt__(self, *args)
3556 r"""__hash__(Surface self) -> std::size_t"""
3557 return _IMP_core.Surface___hash__(self)
3560 r"""__str__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___str__(self)
3564 r"""__repr__(Surface self) -> std::string"""
3565 return _IMP_core.Surface___repr__(self)
3567 def _get_as_binary(self):
3568 r"""_get_as_binary(Surface self) -> PyObject *"""
3569 return _IMP_core.Surface__get_as_binary(self)
3571 def _set_from_binary(self, p):
3572 r"""_set_from_binary(Surface self, PyObject * p)"""
3573 return _IMP_core.Surface__set_from_binary(self, p)
3575 def __getstate__(self):
3576 p = self._get_as_binary()
3577 if len(self.__dict__) > 1:
3578 d = self.__dict__.copy()
3583 def __setstate__(self, p):
3584 if not hasattr(self,
'this'):
3586 if isinstance(p, tuple):
3588 self.__dict__.update(d)
3589 return self._set_from_binary(p)
3591 __swig_destroy__ = _IMP_core.delete_Surface
3594 _IMP_core.Surface_swigregister(Surface)
3598 get_height(Surface s, XYZR d) -> double
3599 get_height(Surface s, XYZ d) -> double
3601 return _IMP_core.get_height(*args)
3605 get_depth(Surface s, XYZR d) -> double
3606 get_depth(Surface s, XYZ d) -> double
3608 return _IMP_core.get_depth(*args)
3612 get_distance(XYZ a, XYZ b) -> double
3613 get_distance(XYZR a, XYZR b) -> double
3614 get_distance(Surface s, XYZR d) -> double
3615 get_distance(Surface s, XYZ d) -> double
3617 return _IMP_core.get_distance(*args)
3619 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3623 def __init__(self, *args):
3625 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3626 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3627 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3629 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3631 def get_geometry(self):
3632 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3633 return _IMP_core.SurfaceGeometry_get_geometry(self)
3635 def set_geometry(self, s):
3636 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3637 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3639 def get_version_info(self):
3640 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3641 return _IMP_core.SurfaceGeometry_get_version_info(self)
3642 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3645 r"""__str__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___str__(self)
3649 r"""__repr__(SurfaceGeometry self) -> std::string"""
3650 return _IMP_core.SurfaceGeometry___repr__(self)
3654 return _object_cast_to_SurfaceGeometry(o)
3658 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3661 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3662 return _IMP_core.create_geometry(*args)
3664 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3668 def __init__(self, s, g):
3669 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3670 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3672 def get_surface(self):
3673 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3676 def get_geometry(self):
3677 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3678 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3680 def do_get_inputs(self):
3681 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3684 def do_get_outputs(self):
3685 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3686 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3688 def get_version_info(self):
3689 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3690 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3691 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3694 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3698 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3699 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3703 return _object_cast_to_SurfaceGeometryConstraint(o)
3707 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3710 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3711 return _IMP_core.get_constrained_surface_geometry(*args)
3713 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3717 def __init__(self, s, d):
3718 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3719 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3721 def do_get_inputs(self):
3722 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3725 def do_get_outputs(self):
3726 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3727 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3729 def get_version_info(self):
3730 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3731 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3732 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3735 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___str__(self)
3739 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3740 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3744 return _object_cast_to_LateralSurfaceConstraint(o)
3748 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3750 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3752 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3754 def __init__(self, *args):
3756 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3757 __init__(AngleTripletScore self) -> AngleTripletScore
3759 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3761 def do_get_inputs(self, m, pis):
3762 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3763 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3765 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3766 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"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3769 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3770 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"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3773 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3774 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"""
3775 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3777 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3778 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"""
3779 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3781 def get_version_info(self):
3782 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3783 return _IMP_core.AngleTripletScore_get_version_info(self)
3784 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3787 r"""__str__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___str__(self)
3791 r"""__repr__(AngleTripletScore self) -> std::string"""
3792 return _IMP_core.AngleTripletScore___repr__(self)
3796 return _object_cast_to_AngleTripletScore(o)
3799 def _get_as_binary(self):
3800 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3801 return _IMP_core.AngleTripletScore__get_as_binary(self)
3803 def _set_from_binary(self, p):
3804 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3805 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3807 def __getstate__(self):
3808 p = self._get_as_binary()
3809 if len(self.__dict__) > 1:
3810 d = self.__dict__.copy()
3815 def __setstate__(self, p):
3816 if not hasattr(self,
'this'):
3818 if isinstance(p, tuple):
3820 self.__dict__.update(d)
3821 return self._set_from_binary(p)
3825 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3826 class BallMover(MonteCarloMover):
3827 r"""Proxy of C++ IMP::core::BallMover class."""
3829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3831 def __init__(self, *args):
3833 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3834 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3835 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3836 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3837 __init__(BallMover self) -> BallMover
3839 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3841 def set_radius(self, radius):
3842 r"""set_radius(BallMover self, IMP::Float radius)"""
3843 return _IMP_core.BallMover_set_radius(self, radius)
3845 def get_radius(self):
3846 r"""get_radius(BallMover self) -> IMP::Float"""
3847 return _IMP_core.BallMover_get_radius(self)
3850 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3851 return _IMP_core.BallMover_get_indexes(self)
3854 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3855 return _IMP_core.BallMover_get_keys(self)
3857 def get_version_info(self):
3858 r"""get_version_info(BallMover self) -> VersionInfo"""
3859 return _IMP_core.BallMover_get_version_info(self)
3860 __swig_destroy__ = _IMP_core.delete_BallMover
3863 r"""__str__(BallMover self) -> std::string"""
3864 return _IMP_core.BallMover___str__(self)
3867 r"""__repr__(BallMover self) -> std::string"""
3868 return _IMP_core.BallMover___repr__(self)
3872 return _object_cast_to_BallMover(o)
3875 def _get_as_binary(self):
3876 r"""_get_as_binary(BallMover self) -> PyObject *"""
3877 return _IMP_core.BallMover__get_as_binary(self)
3879 def _set_from_binary(self, p):
3880 r"""_set_from_binary(BallMover self, PyObject * p)"""
3881 return _IMP_core.BallMover__set_from_binary(self, p)
3883 def __getstate__(self):
3884 p = self._get_as_binary()
3885 if len(self.__dict__) > 1:
3886 d = self.__dict__.copy()
3891 def __setstate__(self, p):
3892 if not hasattr(self,
'this'):
3894 if isinstance(p, tuple):
3896 self.__dict__.update(d)
3897 return self._set_from_binary(p)
3902 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3903 indexes = self.get_indexes()
3904 keys = frozenset(self.get_keys())
3907 elif keys == frozenset(
3911 raise NotImplementedError(
3912 "Only works for XYZ or internal coordinates")
3913 radius = self.get_radius()
3918 def propose_func(jm, key):
3919 key, subkey = jax.random.split(key)
3920 v = get_random_vector_in_3d_sphere(subkey, radius)
3922 rbs = jm[
'rigid_bodies']
3923 rbs.intcoord = rbs.intcoord.at[indexes].add(v)
3925 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3927 return self._wrap_jax(init_func, propose_func,
3928 keys=[
'rigid_bodies']
if intcoord
else None)
3932 _IMP_core.BallMover_swigregister(BallMover)
3933 class SerialMover(MonteCarloMover):
3934 r"""Proxy of C++ IMP::core::SerialMover class."""
3936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3938 def __init__(self, *args):
3940 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3941 __init__(SerialMover self) -> SerialMover
3943 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3945 def get_movers(self):
3946 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3947 return _IMP_core.SerialMover_get_movers(self)
3949 def get_version_info(self):
3950 r"""get_version_info(SerialMover self) -> VersionInfo"""
3951 return _IMP_core.SerialMover_get_version_info(self)
3952 __swig_destroy__ = _IMP_core.delete_SerialMover
3955 r"""__str__(SerialMover self) -> std::string"""
3956 return _IMP_core.SerialMover___str__(self)
3959 r"""__repr__(SerialMover self) -> std::string"""
3960 return _IMP_core.SerialMover___repr__(self)
3964 return _object_cast_to_SerialMover(o)
3967 def _get_as_binary(self):
3968 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3969 return _IMP_core.SerialMover__get_as_binary(self)
3971 def _set_from_binary(self, p):
3972 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3973 return _IMP_core.SerialMover__set_from_binary(self, p)
3975 def __getstate__(self):
3976 p = self._get_as_binary()
3977 if len(self.__dict__) > 1:
3978 d = self.__dict__.copy()
3983 def __setstate__(self, p):
3984 if not hasattr(self,
'this'):
3986 if isinstance(p, tuple):
3988 self.__dict__.update(d)
3989 return self._set_from_binary(p)
3995 import jax.numpy
as jnp
3996 from IMP.core._jax_util
import _SerialMover
3997 movers = [m.get_derived_object()._get_jax()
3998 for m
in self.get_movers()]
4000 def sub_propose_func(jm, sms, i):
4001 """Call the propose_func of the ith mover"""
4002 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4003 jm, sms.mover_state[i])
4004 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4005 return jm, sms, ratio
4007 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4008 for i
in range(len(movers))]
4014 key, subkey = jax.random.split(key)
4015 mover_state.append(m.init_func(subkey))
4016 return _SerialMover(
4017 imov=-1, mover_state=mover_state,
4018 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4019 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4021 def propose_func(jm, sms):
4022 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4023 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4025 def accept_func(sms):
4027 sms.accepted_mover_steps = \
4028 sms.accepted_mover_steps.at[sms.imov].add(1)
4031 def sync_func(imp_mover, sms):
4033 for i, mover
in enumerate(imp_mover.get_movers()):
4034 mover.add_to_statistics(
4035 sms.proposed_mover_steps[i],
4036 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4038 return self._wrap_jax(
4039 init_func, propose_func, accept_func, sync_func,
4040 keys=frozenset(x
for m
in movers
for x
in m._keys))
4044 _IMP_core.SerialMover_swigregister(SerialMover)
4045 class SubsetMover(MonteCarloMover):
4046 r"""Proxy of C++ IMP::core::SubsetMover class."""
4048 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4050 def __init__(self, *args):
4052 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4053 __init__(SubsetMover self) -> SubsetMover
4055 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4057 def get_movers(self):
4058 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4059 return _IMP_core.SubsetMover_get_movers(self)
4061 def get_subset_size(self):
4062 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4063 return _IMP_core.SubsetMover_get_subset_size(self)
4065 def get_version_info(self):
4066 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4067 return _IMP_core.SubsetMover_get_version_info(self)
4068 __swig_destroy__ = _IMP_core.delete_SubsetMover
4071 r"""__str__(SubsetMover self) -> std::string"""
4072 return _IMP_core.SubsetMover___str__(self)
4075 r"""__repr__(SubsetMover self) -> std::string"""
4076 return _IMP_core.SubsetMover___repr__(self)
4080 return _object_cast_to_SubsetMover(o)
4083 def _get_as_binary(self):
4084 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4085 return _IMP_core.SubsetMover__get_as_binary(self)
4087 def _set_from_binary(self, p):
4088 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4089 return _IMP_core.SubsetMover__set_from_binary(self, p)
4091 def __getstate__(self):
4092 p = self._get_as_binary()
4093 if len(self.__dict__) > 1:
4094 d = self.__dict__.copy()
4099 def __setstate__(self, p):
4100 if not hasattr(self,
'this'):
4102 if isinstance(p, tuple):
4104 self.__dict__.update(d)
4105 return self._set_from_binary(p)
4109 _IMP_core.SubsetMover_swigregister(SubsetMover)
4110 class DirectionMover(MonteCarloMover):
4111 r"""Proxy of C++ IMP::core::DirectionMover class."""
4113 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4115 def __init__(self, *args):
4117 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4118 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4119 __init__(DirectionMover self) -> DirectionMover
4121 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4123 def set_maximum_rotation(self, mr):
4124 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4125 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4127 def set_reflect_probability(self, rp):
4128 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4129 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4131 def get_maximum_rotation(self):
4132 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4133 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4135 def get_reflect_probability(self):
4136 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4137 return _IMP_core.DirectionMover_get_reflect_probability(self)
4139 def get_direction(self):
4140 r"""get_direction(DirectionMover self) -> Direction"""
4141 return _IMP_core.DirectionMover_get_direction(self)
4143 def get_version_info(self):
4144 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4145 return _IMP_core.DirectionMover_get_version_info(self)
4146 __swig_destroy__ = _IMP_core.delete_DirectionMover
4149 r"""__str__(DirectionMover self) -> std::string"""
4150 return _IMP_core.DirectionMover___str__(self)
4153 r"""__repr__(DirectionMover self) -> std::string"""
4154 return _IMP_core.DirectionMover___repr__(self)
4158 return _object_cast_to_DirectionMover(o)
4161 def _get_as_binary(self):
4162 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4163 return _IMP_core.DirectionMover__get_as_binary(self)
4165 def _set_from_binary(self, p):
4166 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4167 return _IMP_core.DirectionMover__set_from_binary(self, p)
4169 def __getstate__(self):
4170 p = self._get_as_binary()
4171 if len(self.__dict__) > 1:
4172 d = self.__dict__.copy()
4177 def __setstate__(self, p):
4178 if not hasattr(self,
'this'):
4180 if isinstance(p, tuple):
4182 self.__dict__.update(d)
4183 return self._set_from_binary(p)
4187 _IMP_core.DirectionMover_swigregister(DirectionMover)
4188 class SurfaceMover(MonteCarloMover):
4189 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4193 def __init__(self, *args):
4195 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4196 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4197 __init__(SurfaceMover self) -> SurfaceMover
4199 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4201 def set_maximum_translation(self, mt):
4202 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4203 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4205 def set_maximum_rotation(self, mr):
4206 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4207 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4209 def set_reflect_probability(self, rp):
4210 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4211 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4213 def get_maximum_translation(self):
4214 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4215 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4217 def get_maximum_rotation(self):
4218 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4219 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4221 def get_reflect_probability(self):
4222 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4223 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4225 def get_surface(self):
4226 r"""get_surface(SurfaceMover self) -> Surface"""
4227 return _IMP_core.SurfaceMover_get_surface(self)
4229 def get_version_info(self):
4230 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4231 return _IMP_core.SurfaceMover_get_version_info(self)
4232 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4235 r"""__str__(SurfaceMover self) -> std::string"""
4236 return _IMP_core.SurfaceMover___str__(self)
4239 r"""__repr__(SurfaceMover self) -> std::string"""
4240 return _IMP_core.SurfaceMover___repr__(self)
4244 return _object_cast_to_SurfaceMover(o)
4247 def _get_as_binary(self):
4248 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4249 return _IMP_core.SurfaceMover__get_as_binary(self)
4251 def _set_from_binary(self, p):
4252 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4253 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4255 def __getstate__(self):
4256 p = self._get_as_binary()
4257 if len(self.__dict__) > 1:
4258 d = self.__dict__.copy()
4263 def __setstate__(self, p):
4264 if not hasattr(self,
'this'):
4266 if isinstance(p, tuple):
4268 self.__dict__.update(d)
4269 return self._set_from_binary(p)
4273 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4274 class BoxSweepClosePairsFinder(ClosePairsFinder):
4275 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4280 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4281 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4283 def get_close_pairs(self, *args):
4285 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4286 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4287 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4288 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4290 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4292 def do_get_inputs(self, m, pis):
4293 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4294 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4296 def get_version_info(self):
4297 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4298 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4299 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4302 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4303 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4306 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4307 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4311 return _object_cast_to_BoxSweepClosePairsFinder(o)
4315 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4317 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4321 def __init__(self, *args):
4322 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4323 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4325 def get_refiner(self):
4326 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4327 return _IMP_core.CentroidOfRefined_get_refiner(self)
4329 def get_weight(self):
4330 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4331 return _IMP_core.CentroidOfRefined_get_weight(self)
4334 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4335 return _IMP_core.CentroidOfRefined_get_keys(self)
4337 def get_is_weight_null(self):
4338 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4339 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4341 def do_get_inputs(self, m, pis):
4342 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4343 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4345 def do_get_outputs(self, m, pis):
4346 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4347 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4349 def get_version_info(self):
4350 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4351 return _IMP_core.CentroidOfRefined_get_version_info(self)
4352 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4355 r"""__str__(CentroidOfRefined self) -> std::string"""
4356 return _IMP_core.CentroidOfRefined___str__(self)
4359 r"""__repr__(CentroidOfRefined self) -> std::string"""
4360 return _IMP_core.CentroidOfRefined___repr__(self)
4364 return _object_cast_to_CentroidOfRefined(o)
4367 def _get_jax(self, m, indexes):
4368 import jax.numpy
as jnp
4371 for index
in indexes]
4373 def apply_func_unweighted(jm):
4374 for ind, ref
in zip(indexes, refined):
4376 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4379 def apply_func_weighted(jm, weight_key):
4380 for ind, ref
in zip(indexes, refined):
4382 weights = jm[weight_key][ref]
4383 jm[
'xyz'] = xyz.at[ind].set(
4384 jnp.average(xyz[ref], axis=0, weights=weights))
4387 keys = frozenset(self.get_keys())
4389 raise NotImplementedError(
"Only works for XYZ")
4391 if self.get_is_weight_null():
4392 return self._wrap_jax(apply_func_unweighted)
4394 weight_key = self.get_weight()
4395 return self._wrap_jax(
4396 functools.partial(apply_func_weighted,
4397 weight_key=weight_key.get_string()),
4402 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4403 class Centroid(XYZ):
4404 r"""Proxy of C++ IMP::core::Centroid class."""
4406 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4408 def get_constraint(self):
4409 r"""get_constraint(Centroid self) -> Constraint"""
4410 return _IMP_core.Centroid_get_constraint(self)
4412 def __init__(self, *args):
4414 __init__(Centroid self) -> Centroid
4415 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4416 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4418 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4420 def show(self, *args):
4421 r"""show(Centroid self, _ostream out=std::cout)"""
4422 return _IMP_core.Centroid_show(self, *args)
4425 def setup_particle(*args):
4427 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4428 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4429 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4430 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4432 return _IMP_core.Centroid_setup_particle(*args)
4435 def get_is_setup(*args):
4437 get_is_setup(_ParticleAdaptor p) -> bool
4438 get_is_setup(Model m, ParticleIndex pi) -> bool
4440 return _IMP_core.Centroid_get_is_setup(*args)
4442 def add_attribute(self, *args):
4444 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4445 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4446 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4447 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4448 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4449 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4450 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4451 add_attribute(Centroid self, ObjectKey a0, Object a1)
4452 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4453 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4454 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4455 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4457 return _IMP_core.Centroid_add_attribute(self, *args)
4459 def get_value(self, *args):
4461 get_value(Centroid self, FloatKey a0) -> IMP::Float
4462 get_value(Centroid self, IntKey a0) -> IMP::Int
4463 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4464 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4465 get_value(Centroid self, StringKey a0) -> IMP::String
4466 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4467 get_value(Centroid self, ObjectKey a0) -> Object
4468 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4469 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4470 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4471 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4473 return _IMP_core.Centroid_get_value(self, *args)
4475 def set_value(self, *args):
4477 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4478 set_value(Centroid self, IntKey a0, IMP::Int a1)
4479 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4480 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4481 set_value(Centroid self, StringKey a0, IMP::String a1)
4482 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4483 set_value(Centroid self, ObjectKey a0, Object a1)
4484 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4485 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4486 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4487 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4489 return _IMP_core.Centroid_set_value(self, *args)
4491 def remove_attribute(self, *args):
4493 remove_attribute(Centroid self, FloatKey a0)
4494 remove_attribute(Centroid self, IntKey a0)
4495 remove_attribute(Centroid self, FloatsKey a0)
4496 remove_attribute(Centroid self, IntsKey a0)
4497 remove_attribute(Centroid self, StringKey a0)
4498 remove_attribute(Centroid self, ParticleIndexKey a0)
4499 remove_attribute(Centroid self, ObjectKey a0)
4500 remove_attribute(Centroid self, SparseFloatKey a0)
4501 remove_attribute(Centroid self, SparseIntKey a0)
4502 remove_attribute(Centroid self, SparseStringKey a0)
4503 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4505 return _IMP_core.Centroid_remove_attribute(self, *args)
4507 def has_attribute(self, *args):
4509 has_attribute(Centroid self, FloatKey a0) -> bool
4510 has_attribute(Centroid self, IntKey a0) -> bool
4511 has_attribute(Centroid self, FloatsKey a0) -> bool
4512 has_attribute(Centroid self, IntsKey a0) -> bool
4513 has_attribute(Centroid self, StringKey a0) -> bool
4514 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4515 has_attribute(Centroid self, ObjectKey a0) -> bool
4516 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4517 has_attribute(Centroid self, SparseIntKey a0) -> bool
4518 has_attribute(Centroid self, SparseStringKey a0) -> bool
4519 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4521 return _IMP_core.Centroid_has_attribute(self, *args)
4523 def get_derivative(self, a0):
4524 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4525 return _IMP_core.Centroid_get_derivative(self, a0)
4528 r"""get_name(Centroid self) -> std::string"""
4529 return _IMP_core.Centroid_get_name(self)
4531 def clear_caches(self):
4532 r"""clear_caches(Centroid self)"""
4533 return _IMP_core.Centroid_clear_caches(self)
4535 def set_name(self, a0):
4536 r"""set_name(Centroid self, std::string a0)"""
4537 return _IMP_core.Centroid_set_name(self, a0)
4540 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4541 return _IMP_core.Centroid_set_check_level(self, a0)
4543 def add_to_derivative(self, a0, a1, a2):
4544 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4545 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4547 def set_is_optimized(self, a0, a1):
4548 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4549 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4551 def get_is_optimized(self, a0):
4552 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4553 return _IMP_core.Centroid_get_is_optimized(self, a0)
4556 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4557 return _IMP_core.Centroid_get_check_level(self)
4559 def __eq__(self, *args):
4561 __eq__(Centroid self, Centroid o) -> bool
4562 __eq__(Centroid self, Particle d) -> bool
4564 return _IMP_core.Centroid___eq__(self, *args)
4566 def __ne__(self, *args):
4568 __ne__(Centroid self, Centroid o) -> bool
4569 __ne__(Centroid self, Particle d) -> bool
4571 return _IMP_core.Centroid___ne__(self, *args)
4573 def __le__(self, *args):
4575 __le__(Centroid self, Centroid o) -> bool
4576 __le__(Centroid self, Particle d) -> bool
4578 return _IMP_core.Centroid___le__(self, *args)
4580 def __lt__(self, *args):
4582 __lt__(Centroid self, Centroid o) -> bool
4583 __lt__(Centroid self, Particle d) -> bool
4585 return _IMP_core.Centroid___lt__(self, *args)
4587 def __ge__(self, *args):
4589 __ge__(Centroid self, Centroid o) -> bool
4590 __ge__(Centroid self, Particle d) -> bool
4592 return _IMP_core.Centroid___ge__(self, *args)
4594 def __gt__(self, *args):
4596 __gt__(Centroid self, Centroid o) -> bool
4597 __gt__(Centroid self, Particle d) -> bool
4599 return _IMP_core.Centroid___gt__(self, *args)
4602 r"""__hash__(Centroid self) -> std::size_t"""
4603 return _IMP_core.Centroid___hash__(self)
4606 r"""__str__(Centroid self) -> std::string"""
4607 return _IMP_core.Centroid___str__(self)
4610 r"""__repr__(Centroid self) -> std::string"""
4611 return _IMP_core.Centroid___repr__(self)
4613 def _get_as_binary(self):
4614 r"""_get_as_binary(Centroid self) -> PyObject *"""
4615 return _IMP_core.Centroid__get_as_binary(self)
4617 def _set_from_binary(self, p):
4618 r"""_set_from_binary(Centroid self, PyObject * p)"""
4619 return _IMP_core.Centroid__set_from_binary(self, p)
4621 def __getstate__(self):
4622 p = self._get_as_binary()
4623 if len(self.__dict__) > 1:
4624 d = self.__dict__.copy()
4629 def __setstate__(self, p):
4630 if not hasattr(self,
'this'):
4632 if isinstance(p, tuple):
4634 self.__dict__.update(d)
4635 return self._set_from_binary(p)
4637 __swig_destroy__ = _IMP_core.delete_Centroid
4640 _IMP_core.Centroid_swigregister(Centroid)
4642 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4646 def __init__(self, *args):
4648 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4649 __init__(ChecksScoreState self) -> ChecksScoreState
4651 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4653 def get_number_of_checked(self):
4654 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4655 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4657 def do_before_evaluate(self):
4658 r"""do_before_evaluate(ChecksScoreState self)"""
4659 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4661 def do_after_evaluate(self, da):
4662 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4663 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4665 def do_get_outputs(self):
4666 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4667 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4669 def do_get_inputs(self):
4670 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4671 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4673 def get_version_info(self):
4674 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4675 return _IMP_core.ChecksScoreState_get_version_info(self)
4676 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4679 r"""__str__(ChecksScoreState self) -> std::string"""
4680 return _IMP_core.ChecksScoreState___str__(self)
4683 r"""__repr__(ChecksScoreState self) -> std::string"""
4684 return _IMP_core.ChecksScoreState___repr__(self)
4688 return _object_cast_to_ChecksScoreState(o)
4691 def _get_as_binary(self):
4692 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4693 return _IMP_core.ChecksScoreState__get_as_binary(self)
4695 def _set_from_binary(self, p):
4696 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4697 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4699 def __getstate__(self):
4700 p = self._get_as_binary()
4701 if len(self.__dict__) > 1:
4702 d = self.__dict__.copy()
4707 def __setstate__(self, p):
4708 if not hasattr(self,
'this'):
4710 if isinstance(p, tuple):
4712 self.__dict__.update(d)
4713 return self._set_from_binary(p)
4717 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4719 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4723 def __init__(self, tr):
4724 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4725 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4727 def do_get_inputs(self, m, pis):
4728 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4729 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4731 def get_version_info(self):
4732 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4733 return _IMP_core.ChildrenRefiner_get_version_info(self)
4734 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4737 r"""__str__(ChildrenRefiner self) -> std::string"""
4738 return _IMP_core.ChildrenRefiner___str__(self)
4741 r"""__repr__(ChildrenRefiner self) -> std::string"""
4742 return _IMP_core.ChildrenRefiner___repr__(self)
4746 return _object_cast_to_ChildrenRefiner(o)
4750 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4752 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4756 def __init__(self, values, minrange, spacing):
4757 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4758 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4760 def get_version_info(self):
4761 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4762 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4763 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4765 def do_show(self, out):
4766 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4767 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4769 def get_minrange(self):
4770 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4771 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4773 def get_spacing(self):
4774 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4775 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4777 def get_values(self):
4778 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4779 return _IMP_core.ClosedCubicSpline_get_values(self)
4781 def get_second_derivatives(self):
4782 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4783 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4786 r"""__str__(ClosedCubicSpline self) -> std::string"""
4787 return _IMP_core.ClosedCubicSpline___str__(self)
4790 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4791 return _IMP_core.ClosedCubicSpline___repr__(self)
4795 return _object_cast_to_ClosedCubicSpline(o)
4799 import jax.numpy
as jnp
4800 from IMP.core._jax_util
import _spline
4801 def score(feature, minrange, spacing, values, second_derivs):
4803 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4805 highbin = jnp.remainder(lowbin + 1, len(values))
4806 return _spline(feature, minrange, lowbin, highbin, spacing,
4807 values, second_derivs)
4808 return functools.partial(
4809 score, minrange=self.get_minrange(),
4810 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4811 second_derivs=jnp.asarray(self.get_second_derivatives()))
4815 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4817 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4819 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4821 def __init__(self, f, r, k=1):
4822 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4823 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4825 def get_close_pairs(self, pp):
4826 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4827 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4829 def create_current_decomposition(self, m, vt):
4830 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4831 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4833 def do_get_inputs(self, m, pis):
4834 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4835 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4837 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4838 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"""
4839 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4841 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4842 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"""
4843 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4845 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4846 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"""
4847 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4849 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4850 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"""
4851 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4853 def get_version_info(self):
4854 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4855 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4856 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4859 r"""__str__(KClosePairsPairScore self) -> std::string"""
4860 return _IMP_core.KClosePairsPairScore___str__(self)
4863 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4864 return _IMP_core.KClosePairsPairScore___repr__(self)
4868 return _object_cast_to_KClosePairsPairScore(o)
4872 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4874 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4876 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4878 def __init__(self, f, r, max_distance):
4879 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4880 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4882 def get_close_pairs(self, pp):
4883 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4884 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4886 def create_current_decomposition(self, m, vt):
4887 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4888 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4890 def do_get_inputs(self, m, pis):
4891 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4892 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4894 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4895 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"""
4896 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4898 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4899 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"""
4900 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4902 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4903 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"""
4904 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4906 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4907 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"""
4908 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4910 def get_version_info(self):
4911 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4912 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4913 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4916 r"""__str__(ClosePairsPairScore self) -> std::string"""
4917 return _IMP_core.ClosePairsPairScore___str__(self)
4920 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4921 return _IMP_core.ClosePairsPairScore___repr__(self)
4925 return _object_cast_to_ClosePairsPairScore(o)
4929 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4931 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4933 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4935 def __init__(self, *args):
4937 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4938 __init__(ConjugateGradients self) -> ConjugateGradients
4940 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4942 def set_gradient_threshold(self, t):
4943 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4944 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4946 def set_max_change(self, t):
4947 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4948 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4950 def do_optimize(self, max_steps):
4951 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4952 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4954 def get_version_info(self):
4955 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4956 return _IMP_core.ConjugateGradients_get_version_info(self)
4957 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4960 r"""__str__(ConjugateGradients self) -> std::string"""
4961 return _IMP_core.ConjugateGradients___str__(self)
4964 r"""__repr__(ConjugateGradients self) -> std::string"""
4965 return _IMP_core.ConjugateGradients___repr__(self)
4969 return _object_cast_to_ConjugateGradients(o)
4972 def _get_as_binary(self):
4973 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4974 return _IMP_core.ConjugateGradients__get_as_binary(self)
4976 def _set_from_binary(self, p):
4977 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4978 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4980 def __getstate__(self):
4981 p = self._get_as_binary()
4982 if len(self.__dict__) > 1:
4983 d = self.__dict__.copy()
4988 def __setstate__(self, p):
4989 if not hasattr(self,
'this'):
4991 if isinstance(p, tuple):
4993 self.__dict__.update(d)
4994 return self._set_from_binary(p)
4998 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5000 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5002 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5004 def __init__(self, ps, sc):
5005 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5006 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5008 def get_connected_index_pairs(self):
5009 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5010 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5012 def get_pair_score(self):
5013 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5014 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5016 def do_create_current_decomposition(self):
5017 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5018 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5020 def do_get_inputs(self):
5021 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5022 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5024 def get_version_info(self):
5025 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5026 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5027 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5030 r"""__str__(ConnectivityRestraint self) -> std::string"""
5031 return _IMP_core.ConnectivityRestraint___str__(self)
5034 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5035 return _IMP_core.ConnectivityRestraint___repr__(self)
5039 return _object_cast_to_ConnectivityRestraint(o)
5043 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5045 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5047 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5049 def __init__(self, *args):
5051 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5052 __init__(ConstantRestraint self) -> ConstantRestraint
5054 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5056 def do_get_inputs(self):
5057 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5058 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5060 def get_version_info(self):
5061 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5062 return _IMP_core.ConstantRestraint_get_version_info(self)
5063 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5066 r"""__str__(ConstantRestraint self) -> std::string"""
5067 return _IMP_core.ConstantRestraint___str__(self)
5070 r"""__repr__(ConstantRestraint self) -> std::string"""
5071 return _IMP_core.ConstantRestraint___repr__(self)
5075 return _object_cast_to_ConstantRestraint(o)
5078 def _get_as_binary(self):
5079 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5080 return _IMP_core.ConstantRestraint__get_as_binary(self)
5082 def _set_from_binary(self, p):
5083 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5084 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5086 def __getstate__(self):
5087 p = self._get_as_binary()
5088 if len(self.__dict__) > 1:
5089 d = self.__dict__.copy()
5094 def __setstate__(self, p):
5095 if not hasattr(self,
'this'):
5097 if isinstance(p, tuple):
5099 self.__dict__.update(d)
5100 return self._set_from_binary(p)
5104 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5106 r"""Proxy of C++ IMP::core::Cosine class."""
5108 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5110 def __init__(self, *args):
5112 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5113 __init__(Cosine self) -> Cosine
5115 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5117 def get_force_constant(self):
5118 r"""get_force_constant(Cosine self) -> IMP::Float"""
5119 return _IMP_core.Cosine_get_force_constant(self)
5121 def get_periodicity(self):
5122 r"""get_periodicity(Cosine self) -> int"""
5123 return _IMP_core.Cosine_get_periodicity(self)
5125 def get_phase(self):
5126 r"""get_phase(Cosine self) -> IMP::Float"""
5127 return _IMP_core.Cosine_get_phase(self)
5129 def get_version_info(self):
5130 r"""get_version_info(Cosine self) -> VersionInfo"""
5131 return _IMP_core.Cosine_get_version_info(self)
5132 __swig_destroy__ = _IMP_core.delete_Cosine
5134 def do_show(self, out):
5135 r"""do_show(Cosine self, _ostream out)"""
5136 return _IMP_core.Cosine_do_show(self, out)
5139 r"""__str__(Cosine self) -> std::string"""
5140 return _IMP_core.Cosine___str__(self)
5143 r"""__repr__(Cosine self) -> std::string"""
5144 return _IMP_core.Cosine___repr__(self)
5148 return _object_cast_to_Cosine(o)
5151 def _get_as_binary(self):
5152 r"""_get_as_binary(Cosine self) -> PyObject *"""
5153 return _IMP_core.Cosine__get_as_binary(self)
5155 def _set_from_binary(self, p):
5156 r"""_set_from_binary(Cosine self, PyObject * p)"""
5157 return _IMP_core.Cosine__set_from_binary(self, p)
5159 def __getstate__(self):
5160 p = self._get_as_binary()
5161 if len(self.__dict__) > 1:
5162 d = self.__dict__.copy()
5167 def __setstate__(self, p):
5168 if not hasattr(self,
'this'):
5170 if isinstance(p, tuple):
5172 self.__dict__.update(d)
5173 return self._set_from_binary(p)
5177 import jax.numpy
as jnp
5178 def score(val, k, period, phase):
5179 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5180 return functools.partial(score, k=self.get_force_constant(),
5181 period=self.get_periodicity(),
5182 phase=self.get_phase())
5186 _IMP_core.Cosine_swigregister(Cosine)
5188 r"""Proxy of C++ IMP::core::CoverRefined class."""
5190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5192 def __init__(self, ref, slack=0):
5193 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5194 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5196 def set_slack(self, slack):
5197 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5198 return _IMP_core.CoverRefined_set_slack(self, slack)
5200 def do_get_inputs(self, m, pis):
5201 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5202 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5204 def do_get_outputs(self, m, pis):
5205 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5206 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5208 def get_version_info(self):
5209 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5210 return _IMP_core.CoverRefined_get_version_info(self)
5211 __swig_destroy__ = _IMP_core.delete_CoverRefined
5214 r"""__str__(CoverRefined self) -> std::string"""
5215 return _IMP_core.CoverRefined___str__(self)
5218 r"""__repr__(CoverRefined self) -> std::string"""
5219 return _IMP_core.CoverRefined___repr__(self)
5223 return _object_cast_to_CoverRefined(o)
5227 _IMP_core.CoverRefined_swigregister(CoverRefined)
5229 r"""Proxy of C++ IMP::core::Cover class."""
5231 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5233 def get_constraint(self):
5234 r"""get_constraint(Cover self) -> Constraint"""
5235 return _IMP_core.Cover_get_constraint(self)
5237 def __init__(self, *args):
5239 __init__(Cover self) -> Cover
5240 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5241 __init__(Cover self, _ParticleAdaptor d) -> Cover
5243 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5245 def show(self, *args):
5246 r"""show(Cover self, _ostream out=std::cout)"""
5247 return _IMP_core.Cover_show(self, *args)
5250 def setup_particle(*args):
5252 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5253 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5254 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5255 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5257 return _IMP_core.Cover_setup_particle(*args)
5260 def get_is_setup(*args):
5262 get_is_setup(_ParticleAdaptor p) -> bool
5263 get_is_setup(Model m, ParticleIndex pi) -> bool
5265 return _IMP_core.Cover_get_is_setup(*args)
5267 def add_attribute(self, *args):
5269 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5270 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5271 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5272 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5273 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5274 add_attribute(Cover self, StringKey a0, IMP::String a1)
5275 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5276 add_attribute(Cover self, ObjectKey a0, Object a1)
5277 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5278 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5279 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5280 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5282 return _IMP_core.Cover_add_attribute(self, *args)
5284 def get_value(self, *args):
5286 get_value(Cover self, FloatKey a0) -> IMP::Float
5287 get_value(Cover self, IntKey a0) -> IMP::Int
5288 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5289 get_value(Cover self, IntsKey a0) -> IMP::Ints
5290 get_value(Cover self, StringKey a0) -> IMP::String
5291 get_value(Cover self, ParticleIndexKey a0) -> Particle
5292 get_value(Cover self, ObjectKey a0) -> Object
5293 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5294 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5295 get_value(Cover self, SparseStringKey a0) -> IMP::String
5296 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5298 return _IMP_core.Cover_get_value(self, *args)
5300 def set_value(self, *args):
5302 set_value(Cover self, FloatKey a0, IMP::Float a1)
5303 set_value(Cover self, IntKey a0, IMP::Int a1)
5304 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5305 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5306 set_value(Cover self, StringKey a0, IMP::String a1)
5307 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5308 set_value(Cover self, ObjectKey a0, Object a1)
5309 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5310 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5311 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5312 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5314 return _IMP_core.Cover_set_value(self, *args)
5316 def remove_attribute(self, *args):
5318 remove_attribute(Cover self, FloatKey a0)
5319 remove_attribute(Cover self, IntKey a0)
5320 remove_attribute(Cover self, FloatsKey a0)
5321 remove_attribute(Cover self, IntsKey a0)
5322 remove_attribute(Cover self, StringKey a0)
5323 remove_attribute(Cover self, ParticleIndexKey a0)
5324 remove_attribute(Cover self, ObjectKey a0)
5325 remove_attribute(Cover self, SparseFloatKey a0)
5326 remove_attribute(Cover self, SparseIntKey a0)
5327 remove_attribute(Cover self, SparseStringKey a0)
5328 remove_attribute(Cover self, SparseParticleIndexKey a0)
5330 return _IMP_core.Cover_remove_attribute(self, *args)
5332 def has_attribute(self, *args):
5334 has_attribute(Cover self, FloatKey a0) -> bool
5335 has_attribute(Cover self, IntKey a0) -> bool
5336 has_attribute(Cover self, FloatsKey a0) -> bool
5337 has_attribute(Cover self, IntsKey a0) -> bool
5338 has_attribute(Cover self, StringKey a0) -> bool
5339 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5340 has_attribute(Cover self, ObjectKey a0) -> bool
5341 has_attribute(Cover self, SparseFloatKey a0) -> bool
5342 has_attribute(Cover self, SparseIntKey a0) -> bool
5343 has_attribute(Cover self, SparseStringKey a0) -> bool
5344 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5346 return _IMP_core.Cover_has_attribute(self, *args)
5348 def get_derivative(self, a0):
5349 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5350 return _IMP_core.Cover_get_derivative(self, a0)
5353 r"""get_name(Cover self) -> std::string"""
5354 return _IMP_core.Cover_get_name(self)
5356 def clear_caches(self):
5357 r"""clear_caches(Cover self)"""
5358 return _IMP_core.Cover_clear_caches(self)
5360 def set_name(self, a0):
5361 r"""set_name(Cover self, std::string a0)"""
5362 return _IMP_core.Cover_set_name(self, a0)
5365 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5366 return _IMP_core.Cover_set_check_level(self, a0)
5368 def add_to_derivative(self, a0, a1, a2):
5369 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5370 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5372 def set_is_optimized(self, a0, a1):
5373 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5374 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5376 def get_is_optimized(self, a0):
5377 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5378 return _IMP_core.Cover_get_is_optimized(self, a0)
5381 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5382 return _IMP_core.Cover_get_check_level(self)
5384 def __eq__(self, *args):
5386 __eq__(Cover self, Cover o) -> bool
5387 __eq__(Cover self, Particle d) -> bool
5389 return _IMP_core.Cover___eq__(self, *args)
5391 def __ne__(self, *args):
5393 __ne__(Cover self, Cover o) -> bool
5394 __ne__(Cover self, Particle d) -> bool
5396 return _IMP_core.Cover___ne__(self, *args)
5398 def __le__(self, *args):
5400 __le__(Cover self, Cover o) -> bool
5401 __le__(Cover self, Particle d) -> bool
5403 return _IMP_core.Cover___le__(self, *args)
5405 def __lt__(self, *args):
5407 __lt__(Cover self, Cover o) -> bool
5408 __lt__(Cover self, Particle d) -> bool
5410 return _IMP_core.Cover___lt__(self, *args)
5412 def __ge__(self, *args):
5414 __ge__(Cover self, Cover o) -> bool
5415 __ge__(Cover self, Particle d) -> bool
5417 return _IMP_core.Cover___ge__(self, *args)
5419 def __gt__(self, *args):
5421 __gt__(Cover self, Cover o) -> bool
5422 __gt__(Cover self, Particle d) -> bool
5424 return _IMP_core.Cover___gt__(self, *args)
5427 r"""__hash__(Cover self) -> std::size_t"""
5428 return _IMP_core.Cover___hash__(self)
5431 r"""__str__(Cover self) -> std::string"""
5432 return _IMP_core.Cover___str__(self)
5435 r"""__repr__(Cover self) -> std::string"""
5436 return _IMP_core.Cover___repr__(self)
5438 def _get_as_binary(self):
5439 r"""_get_as_binary(Cover self) -> PyObject *"""
5440 return _IMP_core.Cover__get_as_binary(self)
5442 def _set_from_binary(self, p):
5443 r"""_set_from_binary(Cover self, PyObject * p)"""
5444 return _IMP_core.Cover__set_from_binary(self, p)
5446 def __getstate__(self):
5447 p = self._get_as_binary()
5448 if len(self.__dict__) > 1:
5449 d = self.__dict__.copy()
5454 def __setstate__(self, p):
5455 if not hasattr(self,
'this'):
5457 if isinstance(p, tuple):
5459 self.__dict__.update(d)
5460 return self._set_from_binary(p)
5462 __swig_destroy__ = _IMP_core.delete_Cover
5465 _IMP_core.Cover_swigregister(Cover)
5467 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5471 def __init__(self, *args):
5472 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5473 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5475 def do_get_inputs(self, m, pis):
5476 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5477 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5479 def do_get_outputs(self, m, pis):
5480 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5481 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5483 def get_version_info(self):
5484 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5485 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5486 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5489 r"""__str__(DerivativesFromRefined self) -> std::string"""
5490 return _IMP_core.DerivativesFromRefined___str__(self)
5493 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5494 return _IMP_core.DerivativesFromRefined___repr__(self)
5498 return _object_cast_to_DerivativesFromRefined(o)
5502 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5504 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5508 def __init__(self, *args):
5509 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5510 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5512 def do_get_inputs(self, m, pis):
5513 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5514 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5516 def do_get_outputs(self, m, pis):
5517 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5518 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5520 def get_version_info(self):
5521 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5522 return _IMP_core.DerivativesToRefined_get_version_info(self)
5523 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5526 r"""__str__(DerivativesToRefined self) -> std::string"""
5527 return _IMP_core.DerivativesToRefined___str__(self)
5530 r"""__repr__(DerivativesToRefined self) -> std::string"""
5531 return _IMP_core.DerivativesToRefined___repr__(self)
5535 return _object_cast_to_DerivativesToRefined(o)
5539 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5541 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5545 def __init__(self, f, sc, diameter):
5546 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5547 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5549 def do_get_inputs(self):
5550 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5551 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5553 def get_version_info(self):
5554 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5555 return _IMP_core.DiameterRestraint_get_version_info(self)
5556 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5558 def do_create_decomposition(self):
5559 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5560 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5562 def do_create_current_decomposition(self):
5563 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5564 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5567 r"""__str__(DiameterRestraint self) -> std::string"""
5568 return _IMP_core.DiameterRestraint___str__(self)
5571 r"""__repr__(DiameterRestraint self) -> std::string"""
5572 return _IMP_core.DiameterRestraint___repr__(self)
5576 return _object_cast_to_DiameterRestraint(o)
5580 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5582 r"""Proxy of C++ IMP::core::Transform class."""
5584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5586 def __init__(self, *args):
5588 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5589 __init__(Transform self) -> Transform
5591 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5593 def do_get_inputs(self, m, pis):
5594 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5595 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5597 def do_get_outputs(self, m, pis):
5598 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5599 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5601 def get_version_info(self):
5602 r"""get_version_info(Transform self) -> VersionInfo"""
5603 return _IMP_core.Transform_get_version_info(self)
5604 __swig_destroy__ = _IMP_core.delete_Transform
5607 r"""__str__(Transform self) -> std::string"""
5608 return _IMP_core.Transform___str__(self)
5611 r"""__repr__(Transform self) -> std::string"""
5612 return _IMP_core.Transform___repr__(self)
5616 return _object_cast_to_Transform(o)
5619 def _get_as_binary(self):
5620 r"""_get_as_binary(Transform self) -> PyObject *"""
5621 return _IMP_core.Transform__get_as_binary(self)
5623 def _set_from_binary(self, p):
5624 r"""_set_from_binary(Transform self, PyObject * p)"""
5625 return _IMP_core.Transform__set_from_binary(self, p)
5627 def __getstate__(self):
5628 p = self._get_as_binary()
5629 if len(self.__dict__) > 1:
5630 d = self.__dict__.copy()
5635 def __setstate__(self, p):
5636 if not hasattr(self,
'this'):
5638 if isinstance(p, tuple):
5640 self.__dict__.update(d)
5641 return self._set_from_binary(p)
5645 _IMP_core.Transform_swigregister(Transform)
5647 r"""Proxy of C++ IMP::core::Reference class."""
5649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5651 def __init__(self, *args):
5653 __init__(Reference self) -> Reference
5654 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5655 __init__(Reference self, _ParticleAdaptor d) -> Reference
5657 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5659 def show(self, *args):
5660 r"""show(Reference self, _ostream out=std::cout)"""
5661 return _IMP_core.Reference_show(self, *args)
5664 def setup_particle(*args):
5666 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5667 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5669 return _IMP_core.Reference_setup_particle(*args)
5671 def get_reference_particle(self):
5672 r"""get_reference_particle(Reference self) -> Particle"""
5673 return _IMP_core.Reference_get_reference_particle(self)
5676 def get_is_setup(*args):
5678 get_is_setup(_ParticleAdaptor p) -> bool
5679 get_is_setup(Model m, ParticleIndex pi) -> bool
5681 return _IMP_core.Reference_get_is_setup(*args)
5684 def get_reference_key():
5685 r"""get_reference_key() -> ParticleIndexKey"""
5686 return _IMP_core.Reference_get_reference_key()
5688 def add_attribute(self, *args):
5690 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5691 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5692 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5693 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5694 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5695 add_attribute(Reference self, StringKey a0, IMP::String a1)
5696 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5697 add_attribute(Reference self, ObjectKey a0, Object a1)
5698 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5699 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5700 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5701 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5703 return _IMP_core.Reference_add_attribute(self, *args)
5705 def get_value(self, *args):
5707 get_value(Reference self, FloatKey a0) -> IMP::Float
5708 get_value(Reference self, IntKey a0) -> IMP::Int
5709 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5710 get_value(Reference self, IntsKey a0) -> IMP::Ints
5711 get_value(Reference self, StringKey a0) -> IMP::String
5712 get_value(Reference self, ParticleIndexKey a0) -> Particle
5713 get_value(Reference self, ObjectKey a0) -> Object
5714 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5715 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5716 get_value(Reference self, SparseStringKey a0) -> IMP::String
5717 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5719 return _IMP_core.Reference_get_value(self, *args)
5721 def set_value(self, *args):
5723 set_value(Reference self, FloatKey a0, IMP::Float a1)
5724 set_value(Reference self, IntKey a0, IMP::Int a1)
5725 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5726 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5727 set_value(Reference self, StringKey a0, IMP::String a1)
5728 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5729 set_value(Reference self, ObjectKey a0, Object a1)
5730 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5731 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5732 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5733 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5735 return _IMP_core.Reference_set_value(self, *args)
5737 def remove_attribute(self, *args):
5739 remove_attribute(Reference self, FloatKey a0)
5740 remove_attribute(Reference self, IntKey a0)
5741 remove_attribute(Reference self, FloatsKey a0)
5742 remove_attribute(Reference self, IntsKey a0)
5743 remove_attribute(Reference self, StringKey a0)
5744 remove_attribute(Reference self, ParticleIndexKey a0)
5745 remove_attribute(Reference self, ObjectKey a0)
5746 remove_attribute(Reference self, SparseFloatKey a0)
5747 remove_attribute(Reference self, SparseIntKey a0)
5748 remove_attribute(Reference self, SparseStringKey a0)
5749 remove_attribute(Reference self, SparseParticleIndexKey a0)
5751 return _IMP_core.Reference_remove_attribute(self, *args)
5753 def has_attribute(self, *args):
5755 has_attribute(Reference self, FloatKey a0) -> bool
5756 has_attribute(Reference self, IntKey a0) -> bool
5757 has_attribute(Reference self, FloatsKey a0) -> bool
5758 has_attribute(Reference self, IntsKey a0) -> bool
5759 has_attribute(Reference self, StringKey a0) -> bool
5760 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5761 has_attribute(Reference self, ObjectKey a0) -> bool
5762 has_attribute(Reference self, SparseFloatKey a0) -> bool
5763 has_attribute(Reference self, SparseIntKey a0) -> bool
5764 has_attribute(Reference self, SparseStringKey a0) -> bool
5765 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5767 return _IMP_core.Reference_has_attribute(self, *args)
5769 def get_derivative(self, a0):
5770 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5771 return _IMP_core.Reference_get_derivative(self, a0)
5774 r"""get_name(Reference self) -> std::string"""
5775 return _IMP_core.Reference_get_name(self)
5777 def clear_caches(self):
5778 r"""clear_caches(Reference self)"""
5779 return _IMP_core.Reference_clear_caches(self)
5781 def set_name(self, a0):
5782 r"""set_name(Reference self, std::string a0)"""
5783 return _IMP_core.Reference_set_name(self, a0)
5786 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5787 return _IMP_core.Reference_set_check_level(self, a0)
5789 def add_to_derivative(self, a0, a1, a2):
5790 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5791 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5793 def set_is_optimized(self, a0, a1):
5794 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5795 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5797 def get_is_optimized(self, a0):
5798 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5799 return _IMP_core.Reference_get_is_optimized(self, a0)
5802 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5803 return _IMP_core.Reference_get_check_level(self)
5805 def __eq__(self, *args):
5807 __eq__(Reference self, Reference o) -> bool
5808 __eq__(Reference self, Particle d) -> bool
5810 return _IMP_core.Reference___eq__(self, *args)
5812 def __ne__(self, *args):
5814 __ne__(Reference self, Reference o) -> bool
5815 __ne__(Reference self, Particle d) -> bool
5817 return _IMP_core.Reference___ne__(self, *args)
5819 def __le__(self, *args):
5821 __le__(Reference self, Reference o) -> bool
5822 __le__(Reference self, Particle d) -> bool
5824 return _IMP_core.Reference___le__(self, *args)
5826 def __lt__(self, *args):
5828 __lt__(Reference self, Reference o) -> bool
5829 __lt__(Reference self, Particle d) -> bool
5831 return _IMP_core.Reference___lt__(self, *args)
5833 def __ge__(self, *args):
5835 __ge__(Reference self, Reference o) -> bool
5836 __ge__(Reference self, Particle d) -> bool
5838 return _IMP_core.Reference___ge__(self, *args)
5840 def __gt__(self, *args):
5842 __gt__(Reference self, Reference o) -> bool
5843 __gt__(Reference self, Particle d) -> bool
5845 return _IMP_core.Reference___gt__(self, *args)
5848 r"""__hash__(Reference self) -> std::size_t"""
5849 return _IMP_core.Reference___hash__(self)
5852 r"""__str__(Reference self) -> std::string"""
5853 return _IMP_core.Reference___str__(self)
5856 r"""__repr__(Reference self) -> std::string"""
5857 return _IMP_core.Reference___repr__(self)
5859 def _get_as_binary(self):
5860 r"""_get_as_binary(Reference self) -> PyObject *"""
5861 return _IMP_core.Reference__get_as_binary(self)
5863 def _set_from_binary(self, p):
5864 r"""_set_from_binary(Reference self, PyObject * p)"""
5865 return _IMP_core.Reference__set_from_binary(self, p)
5867 def __getstate__(self):
5868 p = self._get_as_binary()
5869 if len(self.__dict__) > 1:
5870 d = self.__dict__.copy()
5875 def __setstate__(self, p):
5876 if not hasattr(self,
'this'):
5878 if isinstance(p, tuple):
5880 self.__dict__.update(d)
5881 return self._set_from_binary(p)
5883 __swig_destroy__ = _IMP_core.delete_Reference
5886 _IMP_core.Reference_swigregister(Reference)
5888 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5892 def __init__(self, t, r):
5893 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5894 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5896 def do_get_inputs(self, m, pis):
5897 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5898 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5900 def do_get_outputs(self, m, pis):
5901 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5902 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5904 def get_version_info(self):
5905 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5906 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5907 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5910 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5911 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5914 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5915 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5919 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5923 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5925 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5927 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5929 def __init__(self, *args):
5931 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5932 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5934 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5936 def get_transformation(self):
5937 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5938 return _IMP_core.TransformationSymmetry_get_transformation(self)
5940 def set_transformation(self, t):
5941 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5942 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5944 def do_get_inputs(self, m, pis):
5945 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5946 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5948 def do_get_outputs(self, m, pis):
5949 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5950 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5952 def get_version_info(self):
5953 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5954 return _IMP_core.TransformationSymmetry_get_version_info(self)
5955 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5958 r"""__str__(TransformationSymmetry self) -> std::string"""
5959 return _IMP_core.TransformationSymmetry___str__(self)
5962 r"""__repr__(TransformationSymmetry self) -> std::string"""
5963 return _IMP_core.TransformationSymmetry___repr__(self)
5967 return _object_cast_to_TransformationSymmetry(o)
5971 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5972 class TransformationSymmetryMover(MonteCarloMover):
5973 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5977 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5978 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5979 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5981 def set_maximum_translation(self, mt):
5982 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5983 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5985 def set_maximum_rotation(self, mr):
5986 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5987 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5989 def get_maximum_translation(self):
5990 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5991 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5993 def get_maximum_rotation(self):
5994 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5995 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5997 def get_version_info(self):
5998 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5999 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6000 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6003 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6004 return _IMP_core.TransformationSymmetryMover___str__(self)
6007 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6008 return _IMP_core.TransformationSymmetryMover___repr__(self)
6012 return _object_cast_to_TransformationSymmetryMover(o)
6016 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6018 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6020 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6022 def __init__(self, m, score_func, p1, p2, p3, p4):
6023 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6024 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6026 def do_get_inputs(self):
6027 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6028 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6030 def get_version_info(self):
6031 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6032 return _IMP_core.DihedralRestraint_get_version_info(self)
6033 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6036 r"""__str__(DihedralRestraint self) -> std::string"""
6037 return _IMP_core.DihedralRestraint___str__(self)
6040 r"""__repr__(DihedralRestraint self) -> std::string"""
6041 return _IMP_core.DihedralRestraint___repr__(self)
6045 return _object_cast_to_DihedralRestraint(o)
6049 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6051 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6055 def __init__(self, *args):
6057 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6058 __init__(DistancePairScore self) -> DistancePairScore
6060 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6062 def do_get_inputs(self, m, pis):
6063 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6064 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6066 def get_score_functor(self, *args):
6068 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6069 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6071 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6073 def get_version_info(self):
6074 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6075 return _IMP_core.DistancePairScore_get_version_info(self)
6076 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6079 r"""__str__(DistancePairScore self) -> std::string"""
6080 return _IMP_core.DistancePairScore___str__(self)
6083 r"""__repr__(DistancePairScore self) -> std::string"""
6084 return _IMP_core.DistancePairScore___repr__(self)
6088 return _object_cast_to_DistancePairScore(o)
6091 def _get_as_binary(self):
6092 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6093 return _IMP_core.DistancePairScore__get_as_binary(self)
6095 def _set_from_binary(self, p):
6096 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6097 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6099 def __getstate__(self):
6100 p = self._get_as_binary()
6101 if len(self.__dict__) > 1:
6102 d = self.__dict__.copy()
6107 def __setstate__(self, p):
6108 if not hasattr(self,
'this'):
6110 if isinstance(p, tuple):
6112 self.__dict__.update(d)
6113 return self._set_from_binary(p)
6116 def _get_jax(self, m, indexes):
6117 import jax.numpy
as jnp
6118 def jax_score(jm, uf):
6119 xyzs = jm[
'xyz'][indexes]
6120 diff = xyzs[:,0] - xyzs[:,1]
6121 drs = jnp.linalg.norm(diff, axis=1)
6123 sfnc = self.get_score_functor()
6124 uf = sfnc.get_unary_function().get_derived_object()
6125 f = functools.partial(jax_score, uf=uf._get_jax())
6126 return self._wrap_jax(m, f)
6130 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6132 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6136 def __init__(self, *args):
6138 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6139 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6141 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6143 def do_get_inputs(self, m, pis):
6144 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6145 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6147 def get_score_functor(self, *args):
6149 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6150 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6152 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6155 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6156 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6159 r"""get_k(HarmonicDistancePairScore self) -> double"""
6160 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6162 def get_version_info(self):
6163 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6164 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6165 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6168 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6169 return _IMP_core.HarmonicDistancePairScore___str__(self)
6172 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6173 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6177 return _object_cast_to_HarmonicDistancePairScore(o)
6180 def _get_as_binary(self):
6181 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6182 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6184 def _set_from_binary(self, p):
6185 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6186 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6188 def __getstate__(self):
6189 p = self._get_as_binary()
6190 if len(self.__dict__) > 1:
6191 d = self.__dict__.copy()
6196 def __setstate__(self, p):
6197 if not hasattr(self,
'this'):
6199 if isinstance(p, tuple):
6201 self.__dict__.update(d)
6202 return self._set_from_binary(p)
6205 def _get_jax(self, m, indexes):
6206 import jax.numpy
as jnp
6207 def jax_harmonic_distance_pair_score(jm, d, k):
6208 xyzs = jm[
'xyz'][indexes]
6209 diff = xyzs[:,0] - xyzs[:,1]
6210 drs = jnp.linalg.norm(diff, axis=1)
6211 return 0.5 * k * (d - drs)**2
6212 f = functools.partial(jax_harmonic_distance_pair_score,
6213 d=self.get_x0(), k=self.get_k())
6214 return self._wrap_jax(m, f)
6218 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6220 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6222 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6224 def __init__(self, *args):
6226 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6227 __init__(DistanceRestraint self) -> DistanceRestraint
6229 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6231 def get_score_object(self):
6232 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6233 return _IMP_core.DistanceRestraint_get_score_object(self)
6236 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6237 return _IMP_core.DistanceRestraint_get_index(self)
6239 def get_version_info(self):
6240 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6241 return _IMP_core.DistanceRestraint_get_version_info(self)
6242 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6245 r"""__str__(DistanceRestraint self) -> std::string"""
6246 return _IMP_core.DistanceRestraint___str__(self)
6249 r"""__repr__(DistanceRestraint self) -> std::string"""
6250 return _IMP_core.DistanceRestraint___repr__(self)
6254 return _object_cast_to_DistanceRestraint(o)
6257 def _get_as_binary(self):
6258 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6259 return _IMP_core.DistanceRestraint__get_as_binary(self)
6261 def _set_from_binary(self, p):
6262 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6263 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6265 def __getstate__(self):
6266 p = self._get_as_binary()
6267 if len(self.__dict__) > 1:
6268 d = self.__dict__.copy()
6273 def __setstate__(self, p):
6274 if not hasattr(self,
'this'):
6276 if isinstance(p, tuple):
6278 self.__dict__.update(d)
6279 return self._set_from_binary(p)
6283 import jax.numpy
as jnp
6284 ps = self.get_score_object()
6285 indexes = jnp.array([self.get_index()])
6286 ji = ps._get_jax(self.get_model(), indexes)
6288 return jnp.sum(ji.score_func(jm))
6289 return self._wrap_jax(score)
6293 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6295 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6299 def __init__(self, f, pt):
6300 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6301 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6303 def do_get_inputs(self, m, pis):
6304 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6305 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6307 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6308 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"""
6309 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6311 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6312 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"""
6313 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6315 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6316 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"""
6317 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6319 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6320 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"""
6321 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6323 def get_version_info(self):
6324 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6325 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6326 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6329 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6330 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6333 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6334 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6338 return _object_cast_to_SphereDistanceToSingletonScore(o)
6342 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6344 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6348 def __init__(self, *args):
6349 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6350 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6352 def do_get_inputs(self):
6353 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6354 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6356 def get_version_info(self):
6357 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6358 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6359 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6361 def do_create_decomposition(self):
6362 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6363 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6365 def do_create_current_decomposition(self):
6366 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6367 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6370 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6371 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6372 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)
6373 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6374 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6375 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6377 def remove_pair_filter(self, d):
6378 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6379 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6381 def _python_index_pair_filter(self, d, start, stop):
6382 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6383 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6385 def remove_pair_filters(self, d):
6386 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6387 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6389 def set_pair_filters(self, ps):
6390 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6391 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6393 def set_pair_filters_order(self, objs):
6394 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6395 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6397 def add_pair_filter(self, obj):
6398 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6399 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6401 def add_pair_filters(self, objs):
6402 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6403 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6405 def clear_pair_filters(self):
6406 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6407 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6409 def get_number_of_pair_filters(self):
6410 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6411 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6413 def get_has_pair_filters(self):
6414 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6415 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6417 def get_pair_filter(self, i):
6418 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6419 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6421 def get_pair_filters(self):
6422 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6423 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6425 def erase_pair_filter(self, i):
6426 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6427 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6429 def reserve_pair_filters(self, sz):
6430 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6431 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6434 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6435 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6438 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6439 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6443 return _object_cast_to_ExcludedVolumeRestraint(o)
6447 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6449 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6453 def __init__(self, *args):
6455 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6456 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6458 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6460 def do_get_inputs(self, m, pis):
6461 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6462 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6464 def get_version_info(self):
6465 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6466 return _IMP_core.FixedRefiner_get_version_info(self)
6467 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6470 r"""__str__(FixedRefiner self) -> std::string"""
6471 return _IMP_core.FixedRefiner___str__(self)
6474 r"""__repr__(FixedRefiner self) -> std::string"""
6475 return _IMP_core.FixedRefiner___repr__(self)
6479 return _object_cast_to_FixedRefiner(o)
6483 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6484 class GridClosePairsFinder(ClosePairsFinder):
6485 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6490 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6491 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6493 def get_close_pairs(self, *args):
6495 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6496 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6497 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6498 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6500 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6502 def do_get_inputs(self, m, pis):
6503 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6504 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6506 def get_version_info(self):
6507 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6508 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6509 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6512 r"""__str__(GridClosePairsFinder self) -> std::string"""
6513 return _IMP_core.GridClosePairsFinder___str__(self)
6516 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6517 return _IMP_core.GridClosePairsFinder___repr__(self)
6521 return _object_cast_to_GridClosePairsFinder(o)
6524 def _get_as_binary(self):
6525 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6526 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6528 def _set_from_binary(self, p):
6529 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6530 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6532 def __getstate__(self):
6533 p = self._get_as_binary()
6534 if len(self.__dict__) > 1:
6535 d = self.__dict__.copy()
6540 def __setstate__(self, p):
6541 if not hasattr(self,
'this'):
6543 if isinstance(p, tuple):
6545 self.__dict__.update(d)
6546 return self._set_from_binary(p)
6550 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6552 r"""Proxy of C++ IMP::core::Harmonic class."""
6554 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6556 def __init__(self, *args):
6558 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6559 __init__(Harmonic self) -> Harmonic
6561 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6563 def get_version_info(self):
6564 r"""get_version_info(Harmonic self) -> VersionInfo"""
6565 return _IMP_core.Harmonic_get_version_info(self)
6566 __swig_destroy__ = _IMP_core.delete_Harmonic
6569 r"""get_mean(Harmonic self) -> IMP::Float"""
6570 return _IMP_core.Harmonic_get_mean(self)
6573 r"""get_k(Harmonic self) -> IMP::Float"""
6574 return _IMP_core.Harmonic_get_k(self)
6576 def set_mean(self, mean):
6577 r"""set_mean(Harmonic self, IMP::Float mean)"""
6578 return _IMP_core.Harmonic_set_mean(self, mean)
6581 r"""set_k(Harmonic self, IMP::Float k)"""
6582 return _IMP_core.Harmonic_set_k(self, k)
6585 def get_k_from_standard_deviation(sd, t=297.15):
6586 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6587 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6590 r"""__str__(Harmonic self) -> std::string"""
6591 return _IMP_core.Harmonic___str__(self)
6594 r"""__repr__(Harmonic self) -> std::string"""
6595 return _IMP_core.Harmonic___repr__(self)
6599 return _object_cast_to_Harmonic(o)
6602 def _get_as_binary(self):
6603 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6604 return _IMP_core.Harmonic__get_as_binary(self)
6606 def _set_from_binary(self, p):
6607 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6608 return _IMP_core.Harmonic__set_from_binary(self, p)
6610 def __getstate__(self):
6611 p = self._get_as_binary()
6612 if len(self.__dict__) > 1:
6613 d = self.__dict__.copy()
6618 def __setstate__(self, p):
6619 if not hasattr(self,
'this'):
6621 if isinstance(p, tuple):
6623 self.__dict__.update(d)
6624 return self._set_from_binary(p)
6628 def score(val, mean, k):
6629 return 0.5 * k * (mean - val) ** 2
6630 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6634 _IMP_core.Harmonic_swigregister(Harmonic)
6636 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6640 def __init__(self, well, k):
6641 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6642 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6645 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6646 return _IMP_core.HarmonicWell_get_well(self)
6649 r"""get_k(HarmonicWell self) -> double"""
6650 return _IMP_core.HarmonicWell_get_k(self)
6652 def get_version_info(self):
6653 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6654 return _IMP_core.HarmonicWell_get_version_info(self)
6655 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6658 r"""__str__(HarmonicWell self) -> std::string"""
6659 return _IMP_core.HarmonicWell___str__(self)
6662 r"""__repr__(HarmonicWell self) -> std::string"""
6663 return _IMP_core.HarmonicWell___repr__(self)
6667 return _object_cast_to_HarmonicWell(o)
6671 import jax.numpy
as jnp
6672 def score(val, lb, ub, k):
6673 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6674 well = self.get_well()
6675 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6679 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6680 class HarmonicLowerBound(Harmonic):
6681 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6685 def __init__(self, *args):
6687 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6688 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6690 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6691 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6694 r"""__str__(HarmonicLowerBound self) -> std::string"""
6695 return _IMP_core.HarmonicLowerBound___str__(self)
6698 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6699 return _IMP_core.HarmonicLowerBound___repr__(self)
6703 return _object_cast_to_HarmonicLowerBound(o)
6706 def _get_as_binary(self):
6707 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6708 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6710 def _set_from_binary(self, p):
6711 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6712 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6714 def __getstate__(self):
6715 p = self._get_as_binary()
6716 if len(self.__dict__) > 1:
6717 d = self.__dict__.copy()
6722 def __setstate__(self, p):
6723 if not hasattr(self,
'this'):
6725 if isinstance(p, tuple):
6727 self.__dict__.update(d)
6728 return self._set_from_binary(p)
6733 def score(val, mean, k):
6734 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6735 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6739 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6740 class HarmonicUpperBound(Harmonic):
6741 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6745 def __init__(self, *args):
6747 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6748 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6750 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6751 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6754 r"""__str__(HarmonicUpperBound self) -> std::string"""
6755 return _IMP_core.HarmonicUpperBound___str__(self)
6758 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6759 return _IMP_core.HarmonicUpperBound___repr__(self)
6763 return _object_cast_to_HarmonicUpperBound(o)
6766 def _get_as_binary(self):
6767 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6768 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6770 def _set_from_binary(self, p):
6771 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6772 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6774 def __getstate__(self):
6775 p = self._get_as_binary()
6776 if len(self.__dict__) > 1:
6777 d = self.__dict__.copy()
6782 def __setstate__(self, p):
6783 if not hasattr(self,
'this'):
6785 if isinstance(p, tuple):
6787 self.__dict__.update(d)
6788 return self._set_from_binary(p)
6793 def score(val, mean, k):
6794 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6795 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6799 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6801 r"""Proxy of C++ IMP::core::WeightedSum class."""
6803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6805 def __init__(self, funcs, weights):
6806 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6807 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6809 def get_function_number(self):
6810 r"""get_function_number(WeightedSum self) -> unsigned int"""
6811 return _IMP_core.WeightedSum_get_function_number(self)
6813 def set_weights(self, weights):
6814 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6815 return _IMP_core.WeightedSum_set_weights(self, weights)
6817 def get_weights(self):
6818 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6819 return _IMP_core.WeightedSum_get_weights(self)
6821 def get_weight(self, i):
6822 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6823 return _IMP_core.WeightedSum_get_weight(self, i)
6825 def get_function(self, i):
6826 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6827 return _IMP_core.WeightedSum_get_function(self, i)
6829 def get_version_info(self):
6830 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6831 return _IMP_core.WeightedSum_get_version_info(self)
6832 __swig_destroy__ = _IMP_core.delete_WeightedSum
6835 r"""__str__(WeightedSum self) -> std::string"""
6836 return _IMP_core.WeightedSum___str__(self)
6839 r"""__repr__(WeightedSum self) -> std::string"""
6840 return _IMP_core.WeightedSum___repr__(self)
6844 return _object_cast_to_WeightedSum(o)
6848 import jax.numpy
as jnp
6849 def score(val, funcs, weights):
6850 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6851 nfunc = self.get_function_number()
6852 funcs = [self.get_function(i).get_derived_object()._get_jax()
6853 for i
in range(nfunc)]
6854 return functools.partial(score, funcs=funcs,
6855 weights=self.get_weights())
6859 _IMP_core.WeightedSum_swigregister(WeightedSum)
6861 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6863 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6865 def __init__(self, funcs, weights, denom=1.0):
6866 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6867 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6869 def get_function_number(self):
6870 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6871 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6873 def set_weights(self, weights):
6874 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6875 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6877 def get_weights(self):
6878 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6879 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6881 def get_weight(self, i):
6882 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6883 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6885 def get_function(self, i):
6886 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6887 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6889 def set_denominator(self, denom):
6890 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6891 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6893 def get_denominator(self):
6894 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6895 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6897 def get_version_info(self):
6898 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6899 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6900 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6903 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6904 return _IMP_core.WeightedSumOfExponential___str__(self)
6907 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6908 return _IMP_core.WeightedSumOfExponential___repr__(self)
6912 return _object_cast_to_WeightedSumOfExponential(o)
6916 import jax.numpy
as jnp
6917 def score(val, funcs, weights, denom):
6918 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6919 for (f, weight)
in zip(funcs, weights))
6920 return -jnp.log(exp_sum) * denom
6921 nfunc = self.get_function_number()
6922 funcs = [self.get_function(i).get_derived_object()._get_jax()
6923 for i
in range(nfunc)]
6924 return functools.partial(score, funcs=funcs,
6925 weights=self.get_weights(),
6926 denom=self.get_denominator())
6930 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6932 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6936 def __init__(self, m, ps, eps=0.1):
6937 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6938 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6940 def add_type(self, ps):
6941 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6942 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6944 def add_composite(self, *args):
6946 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6947 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6949 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6951 def get_connected_pairs(self):
6952 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6953 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6955 def get_pair_score(self):
6956 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6957 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6959 def do_create_current_decomposition(self):
6960 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6961 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6963 def do_get_inputs(self):
6964 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6965 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6967 def get_version_info(self):
6968 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6969 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6970 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6973 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6974 return _IMP_core.MSConnectivityRestraint___str__(self)
6977 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6978 return _IMP_core.MSConnectivityRestraint___repr__(self)
6982 return _object_cast_to_MSConnectivityRestraint(o)
6986 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6987 class HierarchyTraits(object):
6988 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6990 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6992 def __init__(self, *args):
6994 __init__(HierarchyTraits self) -> HierarchyTraits
6995 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6997 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6999 def get_children_key(self):
7000 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7001 return _IMP_core.HierarchyTraits_get_children_key(self)
7003 def get_parent_key(self):
7004 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7005 return _IMP_core.HierarchyTraits_get_parent_key(self)
7007 def __eq__(self, o):
7008 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7009 return _IMP_core.HierarchyTraits___eq__(self, o)
7011 def show(self, *args):
7012 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7013 return _IMP_core.HierarchyTraits_show(self, *args)
7016 r"""__str__(HierarchyTraits self) -> std::string"""
7017 return _IMP_core.HierarchyTraits___str__(self)
7020 r"""__repr__(HierarchyTraits self) -> std::string"""
7021 return _IMP_core.HierarchyTraits___repr__(self)
7022 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7025 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7027 r"""Proxy of C++ IMP::core::Hierarchy class."""
7029 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7031 def get_decorator_traits(self):
7032 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7033 return _IMP_core.Hierarchy_get_decorator_traits(self)
7036 def get_default_decorator_traits():
7037 r"""get_default_decorator_traits() -> HierarchyTraits"""
7038 return _IMP_core.Hierarchy_get_default_decorator_traits()
7040 def __init__(self, *args):
7042 __init__(Hierarchy self) -> Hierarchy
7043 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7044 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7046 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7048 def show(self, *args):
7049 r"""show(Hierarchy self, _ostream out=std::cout)"""
7050 return _IMP_core.Hierarchy_show(self, *args)
7053 def setup_particle(*args):
7055 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7056 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7057 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7058 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7059 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7060 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7062 return _IMP_core.Hierarchy_setup_particle(*args)
7065 def get_is_setup(*args):
7067 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7068 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7070 return _IMP_core.Hierarchy_get_is_setup(*args)
7073 def get_changed_key():
7074 r"""get_changed_key() -> TriggerKey"""
7075 return _IMP_core.Hierarchy_get_changed_key()
7077 def get_parent(self):
7078 r"""get_parent(Hierarchy self) -> Hierarchy"""
7079 return _IMP_core.Hierarchy_get_parent(self)
7081 def get_number_of_children(self):
7082 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7083 return _IMP_core.Hierarchy_get_number_of_children(self)
7085 def get_child(self, i):
7086 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7087 return _IMP_core.Hierarchy_get_child(self, i)
7089 def get_children_indexes(self):
7090 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7091 return _IMP_core.Hierarchy_get_children_indexes(self)
7093 def get_children(self):
7094 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7095 return _IMP_core.Hierarchy_get_children(self)
7097 def remove_child(self, *args):
7099 remove_child(Hierarchy self, unsigned int i)
7100 remove_child(Hierarchy self, Hierarchy h)
7102 return _IMP_core.Hierarchy_remove_child(self, *args)
7104 def clear_children(self):
7105 r"""clear_children(Hierarchy self)"""
7106 return _IMP_core.Hierarchy_clear_children(self)
7108 def add_child(self, h):
7109 r"""add_child(Hierarchy self, Hierarchy h)"""
7110 return _IMP_core.Hierarchy_add_child(self, h)
7112 def add_child_at(self, h, pos):
7113 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7114 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7116 def get_child_index(self, *args):
7118 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7119 get_child_index(Hierarchy self) -> int
7121 return _IMP_core.Hierarchy_get_child_index(self, *args)
7124 def get_default_traits():
7125 r"""get_default_traits() -> HierarchyTraits"""
7126 return _IMP_core.Hierarchy_get_default_traits()
7128 def get_traits(self):
7129 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7130 return _IMP_core.Hierarchy_get_traits(self)
7132 def add_attribute(self, *args):
7134 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7135 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7136 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7137 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7138 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7139 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7140 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7141 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7142 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7143 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7144 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7145 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7147 return _IMP_core.Hierarchy_add_attribute(self, *args)
7149 def get_value(self, *args):
7151 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7152 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7153 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7154 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7155 get_value(Hierarchy self, StringKey a0) -> IMP::String
7156 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7157 get_value(Hierarchy self, ObjectKey a0) -> Object
7158 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7159 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7160 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7161 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7163 return _IMP_core.Hierarchy_get_value(self, *args)
7165 def set_value(self, *args):
7167 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7168 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7169 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7170 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7171 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7172 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7173 set_value(Hierarchy self, ObjectKey a0, Object a1)
7174 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7175 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7176 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7177 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7179 return _IMP_core.Hierarchy_set_value(self, *args)
7181 def remove_attribute(self, *args):
7183 remove_attribute(Hierarchy self, FloatKey a0)
7184 remove_attribute(Hierarchy self, IntKey a0)
7185 remove_attribute(Hierarchy self, FloatsKey a0)
7186 remove_attribute(Hierarchy self, IntsKey a0)
7187 remove_attribute(Hierarchy self, StringKey a0)
7188 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7189 remove_attribute(Hierarchy self, ObjectKey a0)
7190 remove_attribute(Hierarchy self, SparseFloatKey a0)
7191 remove_attribute(Hierarchy self, SparseIntKey a0)
7192 remove_attribute(Hierarchy self, SparseStringKey a0)
7193 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7195 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7197 def has_attribute(self, *args):
7199 has_attribute(Hierarchy self, FloatKey a0) -> bool
7200 has_attribute(Hierarchy self, IntKey a0) -> bool
7201 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7202 has_attribute(Hierarchy self, IntsKey a0) -> bool
7203 has_attribute(Hierarchy self, StringKey a0) -> bool
7204 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7205 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7206 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7207 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7208 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7209 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7211 return _IMP_core.Hierarchy_has_attribute(self, *args)
7213 def get_derivative(self, a0):
7214 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7215 return _IMP_core.Hierarchy_get_derivative(self, a0)
7218 r"""get_name(Hierarchy self) -> std::string"""
7219 return _IMP_core.Hierarchy_get_name(self)
7221 def clear_caches(self):
7222 r"""clear_caches(Hierarchy self)"""
7223 return _IMP_core.Hierarchy_clear_caches(self)
7225 def set_name(self, a0):
7226 r"""set_name(Hierarchy self, std::string a0)"""
7227 return _IMP_core.Hierarchy_set_name(self, a0)
7230 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7231 return _IMP_core.Hierarchy_set_check_level(self, a0)
7233 def add_to_derivative(self, a0, a1, a2):
7234 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7235 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7237 def set_is_optimized(self, a0, a1):
7238 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7239 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7241 def get_is_optimized(self, a0):
7242 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7243 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7246 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7247 return _IMP_core.Hierarchy_get_check_level(self)
7249 def __eq__(self, *args):
7251 __eq__(Hierarchy self, Hierarchy o) -> bool
7252 __eq__(Hierarchy self, Particle d) -> bool
7254 return _IMP_core.Hierarchy___eq__(self, *args)
7256 def __ne__(self, *args):
7258 __ne__(Hierarchy self, Hierarchy o) -> bool
7259 __ne__(Hierarchy self, Particle d) -> bool
7261 return _IMP_core.Hierarchy___ne__(self, *args)
7263 def __le__(self, *args):
7265 __le__(Hierarchy self, Hierarchy o) -> bool
7266 __le__(Hierarchy self, Particle d) -> bool
7268 return _IMP_core.Hierarchy___le__(self, *args)
7270 def __lt__(self, *args):
7272 __lt__(Hierarchy self, Hierarchy o) -> bool
7273 __lt__(Hierarchy self, Particle d) -> bool
7275 return _IMP_core.Hierarchy___lt__(self, *args)
7277 def __ge__(self, *args):
7279 __ge__(Hierarchy self, Hierarchy o) -> bool
7280 __ge__(Hierarchy self, Particle d) -> bool
7282 return _IMP_core.Hierarchy___ge__(self, *args)
7284 def __gt__(self, *args):
7286 __gt__(Hierarchy self, Hierarchy o) -> bool
7287 __gt__(Hierarchy self, Particle d) -> bool
7289 return _IMP_core.Hierarchy___gt__(self, *args)
7292 r"""__hash__(Hierarchy self) -> std::size_t"""
7293 return _IMP_core.Hierarchy___hash__(self)
7296 r"""__str__(Hierarchy self) -> std::string"""
7297 return _IMP_core.Hierarchy___str__(self)
7300 r"""__repr__(Hierarchy self) -> std::string"""
7301 return _IMP_core.Hierarchy___repr__(self)
7302 __swig_destroy__ = _IMP_core.delete_Hierarchy
7305 _IMP_core.Hierarchy_swigregister(Hierarchy)
7306 class HierarchyVisitor(object):
7307 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7309 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7310 __repr__ = _swig_repr
7313 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7314 if self.__class__ == HierarchyVisitor:
7318 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7320 if self.__class__ != HierarchyVisitor:
7321 _director_objects.register(self)
7326 def __call__(self, p):
7327 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7328 return _IMP_core.HierarchyVisitor___call__(self, p)
7329 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7330 def __disown__(self):
7332 _IMP_core.disown_HierarchyVisitor(self)
7333 return weakref.proxy(self)
7336 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7337 class ModifierVisitor(HierarchyVisitor):
7338 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7341 __repr__ = _swig_repr
7343 def __init__(self, sm):
7344 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7345 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7346 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7349 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7350 class HierarchyCounter(HierarchyVisitor):
7351 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7353 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7356 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7357 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7359 def get_count(self):
7360 r"""get_count(HierarchyCounter self) -> unsigned int"""
7361 return _IMP_core.HierarchyCounter_get_count(self)
7363 def show(self, *args):
7364 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7365 return _IMP_core.HierarchyCounter_show(self, *args)
7368 r"""__str__(HierarchyCounter self) -> std::string"""
7369 return _IMP_core.HierarchyCounter___str__(self)
7372 r"""__repr__(HierarchyCounter self) -> std::string"""
7373 return _IMP_core.HierarchyCounter___repr__(self)
7375 def _get_as_binary(self):
7376 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7377 return _IMP_core.HierarchyCounter__get_as_binary(self)
7379 def _set_from_binary(self, p):
7380 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7381 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7383 def __getstate__(self):
7384 p = self._get_as_binary()
7385 if len(self.__dict__) > 1:
7386 d = self.__dict__.copy()
7391 def __setstate__(self, p):
7392 if not hasattr(self,
'this'):
7394 if isinstance(p, tuple):
7396 self.__dict__.update(d)
7397 return self._set_from_binary(p)
7399 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7402 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7405 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7406 return _IMP_core.get_leaves(mhd)
7409 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7410 return _IMP_core.get_internal(mhd)
7413 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7414 return _IMP_core.get_all_descendants(mhd)
7417 r"""get_root(Hierarchy h) -> Hierarchy"""
7418 return _IMP_core.get_root(h)
7421 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7422 return _IMP_core.visit_breadth_first(d, f)
7425 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7426 return _IMP_core.visit_depth_first(d, f)
7428 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7430 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7432 def __init__(self, tr):
7433 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7434 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7436 def do_get_inputs(self, m, pis):
7437 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7438 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7440 def get_version_info(self):
7441 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7442 return _IMP_core.LeavesRefiner_get_version_info(self)
7443 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7446 r"""__str__(LeavesRefiner self) -> std::string"""
7447 return _IMP_core.LeavesRefiner___str__(self)
7450 r"""__repr__(LeavesRefiner self) -> std::string"""
7451 return _IMP_core.LeavesRefiner___repr__(self)
7455 return _object_cast_to_LeavesRefiner(o)
7459 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7461 r"""Proxy of C++ IMP::core::Linear class."""
7463 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7465 def __init__(self, *args):
7467 __init__(Linear self, double offset, double slope) -> Linear
7468 __init__(Linear self) -> Linear
7470 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7472 def set_slope(self, f):
7473 r"""set_slope(Linear self, double f)"""
7474 return _IMP_core.Linear_set_slope(self, f)
7476 def get_slope(self):
7477 r"""get_slope(Linear self) -> double"""
7478 return _IMP_core.Linear_get_slope(self)
7480 def set_offset(self, f):
7481 r"""set_offset(Linear self, double f)"""
7482 return _IMP_core.Linear_set_offset(self, f)
7484 def get_offset(self):
7485 r"""get_offset(Linear self) -> double"""
7486 return _IMP_core.Linear_get_offset(self)
7488 def get_version_info(self):
7489 r"""get_version_info(Linear self) -> VersionInfo"""
7490 return _IMP_core.Linear_get_version_info(self)
7491 __swig_destroy__ = _IMP_core.delete_Linear
7494 r"""__str__(Linear self) -> std::string"""
7495 return _IMP_core.Linear___str__(self)
7498 r"""__repr__(Linear self) -> std::string"""
7499 return _IMP_core.Linear___repr__(self)
7503 return _object_cast_to_Linear(o)
7506 def _get_as_binary(self):
7507 r"""_get_as_binary(Linear self) -> PyObject *"""
7508 return _IMP_core.Linear__get_as_binary(self)
7510 def _set_from_binary(self, p):
7511 r"""_set_from_binary(Linear self, PyObject * p)"""
7512 return _IMP_core.Linear__set_from_binary(self, p)
7514 def __getstate__(self):
7515 p = self._get_as_binary()
7516 if len(self.__dict__) > 1:
7517 d = self.__dict__.copy()
7522 def __setstate__(self, p):
7523 if not hasattr(self,
'this'):
7525 if isinstance(p, tuple):
7527 self.__dict__.update(d)
7528 return self._set_from_binary(p)
7532 def score(val, slope, offset):
7533 return (val - offset) * slope
7534 return functools.partial(score, slope=self.get_slope(),
7535 offset=self.get_offset())
7539 _IMP_core.Linear_swigregister(Linear)
7540 class LogNormalMover(MonteCarloMover):
7541 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7545 def __init__(self, *args):
7547 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7548 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7549 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7550 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7551 __init__(LogNormalMover self) -> LogNormalMover
7553 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7555 def set_sigma(self, sigma):
7556 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7557 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7559 def get_sigma(self):
7560 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7561 return _IMP_core.LogNormalMover_get_sigma(self)
7563 def get_version_info(self):
7564 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7565 return _IMP_core.LogNormalMover_get_version_info(self)
7566 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7569 r"""__str__(LogNormalMover self) -> std::string"""
7570 return _IMP_core.LogNormalMover___str__(self)
7573 r"""__repr__(LogNormalMover self) -> std::string"""
7574 return _IMP_core.LogNormalMover___repr__(self)
7578 return _object_cast_to_LogNormalMover(o)
7581 def _get_as_binary(self):
7582 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7583 return _IMP_core.LogNormalMover__get_as_binary(self)
7585 def _set_from_binary(self, p):
7586 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7587 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7589 def __getstate__(self):
7590 p = self._get_as_binary()
7591 if len(self.__dict__) > 1:
7592 d = self.__dict__.copy()
7597 def __setstate__(self, p):
7598 if not hasattr(self,
'this'):
7600 if isinstance(p, tuple):
7602 self.__dict__.update(d)
7603 return self._set_from_binary(p)
7607 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7608 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7611 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7613 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7615 def __init__(self, m):
7616 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7617 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7619 def get_version_info(self):
7620 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7621 return _IMP_core.MonteCarlo_get_version_info(self)
7622 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7624 def set_return_best(self, tf):
7625 r"""set_return_best(MonteCarlo self, bool tf)"""
7626 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7628 def get_return_best(self):
7629 r"""get_return_best(MonteCarlo self) -> bool"""
7630 return _IMP_core.MonteCarlo_get_return_best(self)
7632 def set_score_moved(self, mv):
7633 r"""set_score_moved(MonteCarlo self, bool mv)"""
7634 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7636 def set_kt(self, t):
7637 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7638 return _IMP_core.MonteCarlo_set_kt(self, t)
7641 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7642 return _IMP_core.MonteCarlo_get_kt(self)
7644 def get_last_accepted_energy(self):
7645 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7646 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7648 def set_last_accepted_energy(self, energy):
7649 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7650 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7652 def get_best_accepted_energy(self):
7653 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7654 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7656 def set_best_accepted_energy(self, energy):
7657 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7658 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7660 def get_number_of_downward_steps(self):
7661 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7662 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7664 def get_number_of_upward_steps(self):
7665 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7666 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7668 def get_number_of_proposed_steps(self):
7669 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7670 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7672 def get_number_of_accepted_steps(self):
7673 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7674 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7676 def set_number_of_downward_steps(self, nsteps):
7677 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7678 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7680 def set_number_of_upward_steps(self, nsteps):
7681 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7682 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7684 def set_number_of_rejected_steps(self, nsteps):
7685 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7686 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7688 def reset_statistics(self):
7689 r"""reset_statistics(MonteCarlo self)"""
7690 return _IMP_core.MonteCarlo_reset_statistics(self)
7692 def set_score_threshold(self, s):
7693 r"""set_score_threshold(MonteCarlo self, double s)"""
7694 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7696 def get_score_threshold(self):
7697 r"""get_score_threshold(MonteCarlo self) -> double"""
7698 return _IMP_core.MonteCarlo_get_score_threshold(self)
7700 def set_maximum_difference(self, d):
7701 r"""set_maximum_difference(MonteCarlo self, double d)"""
7702 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7704 def get_maximum_difference(self):
7705 r"""get_maximum_difference(MonteCarlo self) -> double"""
7706 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7707 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)
7708 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7709 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7710 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7712 def remove_mover(self, d):
7713 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7714 return _IMP_core.MonteCarlo_remove_mover(self, d)
7716 def _python_index_mover(self, d, start, stop):
7717 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7718 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7720 def remove_movers(self, d):
7721 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7722 return _IMP_core.MonteCarlo_remove_movers(self, d)
7724 def set_movers(self, ps):
7725 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7726 return _IMP_core.MonteCarlo_set_movers(self, ps)
7728 def set_movers_order(self, objs):
7729 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7730 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7732 def add_mover(self, obj):
7733 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7734 return _IMP_core.MonteCarlo_add_mover(self, obj)
7736 def add_movers(self, objs):
7737 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7738 return _IMP_core.MonteCarlo_add_movers(self, objs)
7740 def clear_movers(self):
7741 r"""clear_movers(MonteCarlo self)"""
7742 return _IMP_core.MonteCarlo_clear_movers(self)
7744 def get_number_of_movers(self):
7745 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7746 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7748 def get_has_movers(self):
7749 r"""get_has_movers(MonteCarlo self) -> bool"""
7750 return _IMP_core.MonteCarlo_get_has_movers(self)
7752 def get_mover(self, i):
7753 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7754 return _IMP_core.MonteCarlo_get_mover(self, i)
7756 def get_movers(self):
7757 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7758 return _IMP_core.MonteCarlo_get_movers(self)
7760 def erase_mover(self, i):
7761 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7762 return _IMP_core.MonteCarlo_erase_mover(self, i)
7764 def reserve_movers(self, sz):
7765 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7766 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7769 r"""__str__(MonteCarlo self) -> std::string"""
7770 return _IMP_core.MonteCarlo___str__(self)
7773 r"""__repr__(MonteCarlo self) -> std::string"""
7774 return _IMP_core.MonteCarlo___repr__(self)
7778 return _object_cast_to_MonteCarlo(o)
7782 from IMP.core._jax_util
import _MCJAXInfo
7783 return _MCJAXInfo(self)
7785 def _get_jax_optimizer(self, max_steps):
7786 import IMP.core._jax_util
7787 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7789 def _optimize_jax(self, max_steps):
7790 opt = self._get_jax_optimizer(max_steps)
7791 score, mc_state = opt.optimize(opt.get_initial_state())
7796 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7797 class MonteCarloWithLocalOptimization(MonteCarlo):
7798 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7800 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7802 def __init__(self, opt, steps):
7803 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7804 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7806 def get_number_of_steps(self):
7807 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7808 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7810 def get_local_optimizer(self):
7811 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7812 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7813 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7816 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7817 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7820 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7821 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7825 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7829 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7830 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7831 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7835 def __init__(self, opt, ns):
7836 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7837 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7838 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7841 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7842 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7845 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7846 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7850 return _object_cast_to_MonteCarloWithBasinHopping(o)
7854 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7856 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7858 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7860 def __init__(self, *args):
7861 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7862 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7864 def get_neighbors(self, pi):
7865 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7866 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7868 def get_version_info(self):
7869 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7870 return _IMP_core.NeighborsTable_get_version_info(self)
7871 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7874 r"""__str__(NeighborsTable self) -> std::string"""
7875 return _IMP_core.NeighborsTable___str__(self)
7878 r"""__repr__(NeighborsTable self) -> std::string"""
7879 return _IMP_core.NeighborsTable___repr__(self)
7883 return _object_cast_to_NeighborsTable(o)
7887 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7888 class NormalMover(MonteCarloMover):
7889 r"""Proxy of C++ IMP::core::NormalMover class."""
7891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7893 def __init__(self, *args):
7895 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7896 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7897 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7898 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7899 __init__(NormalMover self) -> NormalMover
7901 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7903 def set_sigma(self, sigma):
7904 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7905 return _IMP_core.NormalMover_set_sigma(self, sigma)
7907 def get_sigma(self):
7908 r"""get_sigma(NormalMover self) -> IMP::Float"""
7909 return _IMP_core.NormalMover_get_sigma(self)
7911 def get_version_info(self):
7912 r"""get_version_info(NormalMover self) -> VersionInfo"""
7913 return _IMP_core.NormalMover_get_version_info(self)
7914 __swig_destroy__ = _IMP_core.delete_NormalMover
7917 r"""__str__(NormalMover self) -> std::string"""
7918 return _IMP_core.NormalMover___str__(self)
7921 r"""__repr__(NormalMover self) -> std::string"""
7922 return _IMP_core.NormalMover___repr__(self)
7926 return _object_cast_to_NormalMover(o)
7929 def _get_as_binary(self):
7930 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7931 return _IMP_core.NormalMover__get_as_binary(self)
7933 def _set_from_binary(self, p):
7934 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7935 return _IMP_core.NormalMover__set_from_binary(self, p)
7937 def __getstate__(self):
7938 p = self._get_as_binary()
7939 if len(self.__dict__) > 1:
7940 d = self.__dict__.copy()
7945 def __setstate__(self, p):
7946 if not hasattr(self,
'this'):
7948 if isinstance(p, tuple):
7950 self.__dict__.update(d)
7951 return self._set_from_binary(p)
7955 _IMP_core.NormalMover_swigregister(NormalMover)
7956 class OpenCubicSpline(_OpenCubicSplineBase):
7957 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7961 def __init__(self, values, minrange, spacing, extend=False):
7962 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7963 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7965 def get_minrange(self):
7966 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7967 return _IMP_core.OpenCubicSpline_get_minrange(self)
7969 def get_spacing(self):
7970 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7971 return _IMP_core.OpenCubicSpline_get_spacing(self)
7973 def get_values(self):
7974 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7975 return _IMP_core.OpenCubicSpline_get_values(self)
7977 def get_extend(self):
7978 r"""get_extend(OpenCubicSpline self) -> bool"""
7979 return _IMP_core.OpenCubicSpline_get_extend(self)
7981 def get_second_derivatives(self):
7982 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7983 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7986 r"""__str__(OpenCubicSpline self) -> std::string"""
7987 return _IMP_core.OpenCubicSpline___str__(self)
7990 r"""__repr__(OpenCubicSpline self) -> std::string"""
7991 return _IMP_core.OpenCubicSpline___repr__(self)
7995 return _object_cast_to_OpenCubicSpline(o)
7999 import jax.numpy
as jnp
8000 from IMP.core._jax_util
import _spline
8001 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8003 feature = jnp.clip(feature, minrange, maxrange)
8005 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8006 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8007 values, second_derivs)
8008 spacing = self.get_spacing()
8009 minrange = self.get_minrange()
8010 values = jnp.asarray(self.get_values())
8011 maxrange = minrange + spacing * (len(values) - 1)
8012 return functools.partial(
8013 score, minrange=minrange, maxrange=maxrange,
8014 spacing=spacing, values=values,
8015 second_derivs=jnp.asarray(self.get_second_derivatives()))
8017 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8020 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8021 class QuadraticClosePairsFinder(ClosePairsFinder):
8022 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8024 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8027 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8028 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8030 def get_are_close_and_filtered(self, *args):
8032 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8033 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8035 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8037 def get_close_pairs(self, *args):
8039 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8040 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8041 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8042 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8044 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8046 def do_get_inputs(self, m, pis):
8047 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8048 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8050 def get_version_info(self):
8051 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8052 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8053 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8056 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8057 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8060 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8061 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8065 return _object_cast_to_QuadraticClosePairsFinder(o)
8069 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8071 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8075 def __init__(self, r, f):
8076 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8077 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8079 def do_get_inputs(self, m, pis):
8080 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8081 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8083 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8084 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"""
8085 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8087 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8088 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"""
8089 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8091 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8092 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"""
8093 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8095 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8096 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"""
8097 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8099 def get_version_info(self):
8100 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8101 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8102 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8105 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8106 return _IMP_core.RefinedPairsPairScore___str__(self)
8109 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8110 return _IMP_core.RefinedPairsPairScore___repr__(self)
8114 return _object_cast_to_RefinedPairsPairScore(o)
8118 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8119 class RigidBody(XYZ):
8120 r"""Proxy of C++ IMP::core::RigidBody class."""
8122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8124 def get_rigid_members(self):
8125 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8126 return _IMP_core.RigidBody_get_rigid_members(self)
8129 def get_rotation_keys():
8130 r"""get_rotation_keys() -> IMP::FloatKeys"""
8131 return _IMP_core.RigidBody_get_rotation_keys()
8133 def get_member_particle_indexes(self):
8134 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8135 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8137 def get_body_member_particle_indexes(self):
8138 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8139 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8141 def get_member_indexes(self):
8142 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8143 return _IMP_core.RigidBody_get_member_indexes(self)
8145 def show(self, *args):
8146 r"""show(RigidBody self, _ostream out=std::cout)"""
8147 return _IMP_core.RigidBody_show(self, *args)
8150 def setup_particle(*args):
8152 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8153 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8154 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8155 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8157 return _IMP_core.RigidBody_setup_particle(*args)
8160 def teardown_particle(rb):
8161 r"""teardown_particle(RigidBody rb)"""
8162 return _IMP_core.RigidBody_teardown_particle(rb)
8164 def __init__(self, *args):
8166 __init__(RigidBody self) -> RigidBody
8167 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8168 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8169 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8171 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8172 __swig_destroy__ = _IMP_core.delete_RigidBody
8175 def get_is_setup(*args):
8177 get_is_setup(_ParticleAdaptor p) -> bool
8178 get_is_setup(Model m, ParticleIndex pi) -> bool
8180 return _IMP_core.RigidBody_get_is_setup(*args)
8182 def get_coordinates(self):
8183 r"""get_coordinates(RigidBody self) -> Vector3D"""
8184 return _IMP_core.RigidBody_get_coordinates(self)
8186 def get_rotation(self):
8187 r"""get_rotation(RigidBody self) -> Rotation3D"""
8188 return _IMP_core.RigidBody_get_rotation(self)
8190 def get_reference_frame(self):
8191 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8192 return _IMP_core.RigidBody_get_reference_frame(self)
8194 def set_reference_frame(self, tr):
8195 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8196 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8198 def set_reference_frame_lazy(self, tr):
8199 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8200 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8202 def set_reference_frame_from_members(self, members):
8203 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8204 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8206 def pull_back_members_adjoints(self, da):
8207 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8208 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8210 def pull_back_member_adjoints(self, pi, da):
8211 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8212 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8214 def pull_back_body_member_adjoints(self, pi, da):
8215 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8216 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8218 def add_to_rotational_derivatives(self, qderiv, da):
8219 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8220 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8222 def add_to_torque(self, torque_local, da):
8223 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8224 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8226 def get_torque(self):
8227 r"""get_torque(RigidBody self) -> Vector3D"""
8228 return _IMP_core.RigidBody_get_torque(self)
8230 def get_coordinates_are_optimized(self):
8231 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8232 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8234 def set_coordinates_are_optimized(self, tf):
8235 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8236 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8238 def normalize_rotation(self):
8239 r"""normalize_rotation(RigidBody self)"""
8240 return _IMP_core.RigidBody_normalize_rotation(self)
8242 def update_members(self):
8243 r"""update_members(RigidBody self)"""
8244 return _IMP_core.RigidBody_update_members(self)
8246 def get_rotational_derivatives(self):
8247 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8248 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8250 def get_number_of_members(self):
8251 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8252 return _IMP_core.RigidBody_get_number_of_members(self)
8254 def get_member(self, i):
8255 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8256 return _IMP_core.RigidBody_get_member(self, i)
8258 def add_member(self, p):
8259 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8260 return _IMP_core.RigidBody_add_member(self, p)
8262 def add_non_rigid_member(self, p):
8263 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8264 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8266 def set_is_rigid_member(self, pi, tf):
8267 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8268 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8270 def remove_member(self, p):
8271 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8272 return _IMP_core.RigidBody_remove_member(self, p)
8274 def add_attribute(self, *args):
8276 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8277 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8278 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8279 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8280 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8281 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8282 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8283 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8284 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8285 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8286 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8287 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8289 return _IMP_core.RigidBody_add_attribute(self, *args)
8291 def get_value(self, *args):
8293 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8294 get_value(RigidBody self, IntKey a0) -> IMP::Int
8295 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8296 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8297 get_value(RigidBody self, StringKey a0) -> IMP::String
8298 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8299 get_value(RigidBody self, ObjectKey a0) -> Object
8300 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8301 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8302 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8303 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8305 return _IMP_core.RigidBody_get_value(self, *args)
8307 def set_value(self, *args):
8309 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8310 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8311 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8312 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8313 set_value(RigidBody self, StringKey a0, IMP::String a1)
8314 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8315 set_value(RigidBody self, ObjectKey a0, Object a1)
8316 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8317 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8318 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8319 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8321 return _IMP_core.RigidBody_set_value(self, *args)
8323 def remove_attribute(self, *args):
8325 remove_attribute(RigidBody self, FloatKey a0)
8326 remove_attribute(RigidBody self, IntKey a0)
8327 remove_attribute(RigidBody self, FloatsKey a0)
8328 remove_attribute(RigidBody self, IntsKey a0)
8329 remove_attribute(RigidBody self, StringKey a0)
8330 remove_attribute(RigidBody self, ParticleIndexKey a0)
8331 remove_attribute(RigidBody self, ObjectKey a0)
8332 remove_attribute(RigidBody self, SparseFloatKey a0)
8333 remove_attribute(RigidBody self, SparseIntKey a0)
8334 remove_attribute(RigidBody self, SparseStringKey a0)
8335 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8337 return _IMP_core.RigidBody_remove_attribute(self, *args)
8339 def has_attribute(self, *args):
8341 has_attribute(RigidBody self, FloatKey a0) -> bool
8342 has_attribute(RigidBody self, IntKey a0) -> bool
8343 has_attribute(RigidBody self, FloatsKey a0) -> bool
8344 has_attribute(RigidBody self, IntsKey a0) -> bool
8345 has_attribute(RigidBody self, StringKey a0) -> bool
8346 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8347 has_attribute(RigidBody self, ObjectKey a0) -> bool
8348 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8349 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8350 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8351 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8353 return _IMP_core.RigidBody_has_attribute(self, *args)
8355 def get_derivative(self, a0):
8356 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8357 return _IMP_core.RigidBody_get_derivative(self, a0)
8360 r"""get_name(RigidBody self) -> std::string"""
8361 return _IMP_core.RigidBody_get_name(self)
8363 def clear_caches(self):
8364 r"""clear_caches(RigidBody self)"""
8365 return _IMP_core.RigidBody_clear_caches(self)
8367 def set_name(self, a0):
8368 r"""set_name(RigidBody self, std::string a0)"""
8369 return _IMP_core.RigidBody_set_name(self, a0)
8372 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8373 return _IMP_core.RigidBody_set_check_level(self, a0)
8375 def add_to_derivative(self, a0, a1, a2):
8376 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8377 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8379 def set_is_optimized(self, a0, a1):
8380 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8381 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8383 def get_is_optimized(self, a0):
8384 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8385 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8388 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8389 return _IMP_core.RigidBody_get_check_level(self)
8391 def __eq__(self, *args):
8393 __eq__(RigidBody self, RigidBody o) -> bool
8394 __eq__(RigidBody self, Particle d) -> bool
8396 return _IMP_core.RigidBody___eq__(self, *args)
8398 def __ne__(self, *args):
8400 __ne__(RigidBody self, RigidBody o) -> bool
8401 __ne__(RigidBody self, Particle d) -> bool
8403 return _IMP_core.RigidBody___ne__(self, *args)
8405 def __le__(self, *args):
8407 __le__(RigidBody self, RigidBody o) -> bool
8408 __le__(RigidBody self, Particle d) -> bool
8410 return _IMP_core.RigidBody___le__(self, *args)
8412 def __lt__(self, *args):
8414 __lt__(RigidBody self, RigidBody o) -> bool
8415 __lt__(RigidBody self, Particle d) -> bool
8417 return _IMP_core.RigidBody___lt__(self, *args)
8419 def __ge__(self, *args):
8421 __ge__(RigidBody self, RigidBody o) -> bool
8422 __ge__(RigidBody self, Particle d) -> bool
8424 return _IMP_core.RigidBody___ge__(self, *args)
8426 def __gt__(self, *args):
8428 __gt__(RigidBody self, RigidBody o) -> bool
8429 __gt__(RigidBody self, Particle d) -> bool
8431 return _IMP_core.RigidBody___gt__(self, *args)
8434 r"""__hash__(RigidBody self) -> std::size_t"""
8435 return _IMP_core.RigidBody___hash__(self)
8438 r"""__str__(RigidBody self) -> std::string"""
8439 return _IMP_core.RigidBody___str__(self)
8442 r"""__repr__(RigidBody self) -> std::string"""
8443 return _IMP_core.RigidBody___repr__(self)
8445 def _get_as_binary(self):
8446 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8447 return _IMP_core.RigidBody__get_as_binary(self)
8449 def _set_from_binary(self, p):
8450 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8451 return _IMP_core.RigidBody__set_from_binary(self, p)
8453 def __getstate__(self):
8454 p = self._get_as_binary()
8455 if len(self.__dict__) > 1:
8456 d = self.__dict__.copy()
8461 def __setstate__(self, p):
8462 if not hasattr(self,
'this'):
8464 if isinstance(p, tuple):
8466 self.__dict__.update(d)
8467 return self._set_from_binary(p)
8471 _IMP_core.RigidBody_swigregister(RigidBody)
8474 r"""add_rigid_body_cache_key(ObjectKey k)"""
8475 return _IMP_core.add_rigid_body_cache_key(k)
8476 class RigidBodyMember(XYZ):
8477 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8479 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8481 def show(self, *args):
8482 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8483 return _IMP_core.RigidBodyMember_show(self, *args)
8485 def get_rigid_body(self):
8486 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8487 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8489 def get_internal_coordinates(self):
8490 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8491 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8493 def set_internal_coordinates(self, v):
8494 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8495 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8497 def set_internal_transformation(self, v):
8498 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8499 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8501 def get_internal_transformation(self):
8502 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8503 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8504 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8506 def set_coordinates(self, *args):
8508 set_coordinates(RigidBodyMember self, Vector3D center)
8509 set_coordinates(RigidBodyMember self, Transformation3D tr)
8511 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8513 def __init__(self, *args):
8515 __init__(RigidBodyMember self) -> RigidBodyMember
8516 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8517 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8518 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8520 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8523 def get_is_setup(*args):
8525 get_is_setup(_ParticleAdaptor p) -> bool
8526 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8528 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8531 def get_internal_coordinate_keys():
8532 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8533 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8536 def get_internal_rotation_key():
8537 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8538 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8540 def add_attribute(self, *args):
8542 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8543 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8544 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8545 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8546 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8547 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8548 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8549 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8550 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8551 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8552 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8553 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8555 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8557 def get_value(self, *args):
8559 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8560 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8561 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8562 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8563 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8564 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8565 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8566 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8567 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8568 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8569 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8571 return _IMP_core.RigidBodyMember_get_value(self, *args)
8573 def set_value(self, *args):
8575 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8576 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8577 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8578 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8579 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8580 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8581 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8582 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8583 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8584 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8585 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8587 return _IMP_core.RigidBodyMember_set_value(self, *args)
8589 def remove_attribute(self, *args):
8591 remove_attribute(RigidBodyMember self, FloatKey a0)
8592 remove_attribute(RigidBodyMember self, IntKey a0)
8593 remove_attribute(RigidBodyMember self, FloatsKey a0)
8594 remove_attribute(RigidBodyMember self, IntsKey a0)
8595 remove_attribute(RigidBodyMember self, StringKey a0)
8596 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8597 remove_attribute(RigidBodyMember self, ObjectKey a0)
8598 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8599 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8600 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8601 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8603 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8605 def has_attribute(self, *args):
8607 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8608 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8609 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8610 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8611 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8612 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8613 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8614 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8615 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8616 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8617 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8619 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8621 def get_derivative(self, a0):
8622 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8623 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8626 r"""get_name(RigidBodyMember self) -> std::string"""
8627 return _IMP_core.RigidBodyMember_get_name(self)
8629 def clear_caches(self):
8630 r"""clear_caches(RigidBodyMember self)"""
8631 return _IMP_core.RigidBodyMember_clear_caches(self)
8633 def set_name(self, a0):
8634 r"""set_name(RigidBodyMember self, std::string a0)"""
8635 return _IMP_core.RigidBodyMember_set_name(self, a0)
8638 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8639 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8641 def add_to_derivative(self, a0, a1, a2):
8642 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8643 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8645 def set_is_optimized(self, a0, a1):
8646 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8647 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8649 def get_is_optimized(self, a0):
8650 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8651 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8654 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8655 return _IMP_core.RigidBodyMember_get_check_level(self)
8657 def __eq__(self, *args):
8659 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8660 __eq__(RigidBodyMember self, Particle d) -> bool
8662 return _IMP_core.RigidBodyMember___eq__(self, *args)
8664 def __ne__(self, *args):
8666 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8667 __ne__(RigidBodyMember self, Particle d) -> bool
8669 return _IMP_core.RigidBodyMember___ne__(self, *args)
8671 def __le__(self, *args):
8673 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8674 __le__(RigidBodyMember self, Particle d) -> bool
8676 return _IMP_core.RigidBodyMember___le__(self, *args)
8678 def __lt__(self, *args):
8680 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8681 __lt__(RigidBodyMember self, Particle d) -> bool
8683 return _IMP_core.RigidBodyMember___lt__(self, *args)
8685 def __ge__(self, *args):
8687 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8688 __ge__(RigidBodyMember self, Particle d) -> bool
8690 return _IMP_core.RigidBodyMember___ge__(self, *args)
8692 def __gt__(self, *args):
8694 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8695 __gt__(RigidBodyMember self, Particle d) -> bool
8697 return _IMP_core.RigidBodyMember___gt__(self, *args)
8700 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8701 return _IMP_core.RigidBodyMember___hash__(self)
8704 r"""__str__(RigidBodyMember self) -> std::string"""
8705 return _IMP_core.RigidBodyMember___str__(self)
8708 r"""__repr__(RigidBodyMember self) -> std::string"""
8709 return _IMP_core.RigidBodyMember___repr__(self)
8711 def _get_as_binary(self):
8712 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8713 return _IMP_core.RigidBodyMember__get_as_binary(self)
8715 def _set_from_binary(self, p):
8716 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8717 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8719 def __getstate__(self):
8720 p = self._get_as_binary()
8721 if len(self.__dict__) > 1:
8722 d = self.__dict__.copy()
8727 def __setstate__(self, p):
8728 if not hasattr(self,
'this'):
8730 if isinstance(p, tuple):
8732 self.__dict__.update(d)
8733 return self._set_from_binary(p)
8737 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8738 class RigidMember(RigidBodyMember):
8739 r"""Proxy of C++ IMP::core::RigidMember class."""
8741 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8743 def show(self, *args):
8744 r"""show(RigidMember self, _ostream out=std::cout)"""
8745 return _IMP_core.RigidMember_show(self, *args)
8747 def __init__(self, *args):
8749 __init__(RigidMember self) -> RigidMember
8750 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8751 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8752 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8754 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8755 __swig_destroy__ = _IMP_core.delete_RigidMember
8758 def get_is_setup(*args):
8760 get_is_setup(_ParticleAdaptor p) -> bool
8761 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8763 return _IMP_core.RigidMember_get_is_setup(*args)
8765 def add_attribute(self, *args):
8767 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8768 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8769 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8770 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8771 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8772 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8773 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8774 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8775 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8776 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8777 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8778 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8780 return _IMP_core.RigidMember_add_attribute(self, *args)
8782 def get_value(self, *args):
8784 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8785 get_value(RigidMember self, IntKey a0) -> IMP::Int
8786 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8787 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8788 get_value(RigidMember self, StringKey a0) -> IMP::String
8789 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8790 get_value(RigidMember self, ObjectKey a0) -> Object
8791 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8792 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8793 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8794 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8796 return _IMP_core.RigidMember_get_value(self, *args)
8798 def set_value(self, *args):
8800 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8801 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8802 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8803 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8804 set_value(RigidMember self, StringKey a0, IMP::String a1)
8805 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8806 set_value(RigidMember self, ObjectKey a0, Object a1)
8807 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8808 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8809 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8810 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8812 return _IMP_core.RigidMember_set_value(self, *args)
8814 def remove_attribute(self, *args):
8816 remove_attribute(RigidMember self, FloatKey a0)
8817 remove_attribute(RigidMember self, IntKey a0)
8818 remove_attribute(RigidMember self, FloatsKey a0)
8819 remove_attribute(RigidMember self, IntsKey a0)
8820 remove_attribute(RigidMember self, StringKey a0)
8821 remove_attribute(RigidMember self, ParticleIndexKey a0)
8822 remove_attribute(RigidMember self, ObjectKey a0)
8823 remove_attribute(RigidMember self, SparseFloatKey a0)
8824 remove_attribute(RigidMember self, SparseIntKey a0)
8825 remove_attribute(RigidMember self, SparseStringKey a0)
8826 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8828 return _IMP_core.RigidMember_remove_attribute(self, *args)
8830 def has_attribute(self, *args):
8832 has_attribute(RigidMember self, FloatKey a0) -> bool
8833 has_attribute(RigidMember self, IntKey a0) -> bool
8834 has_attribute(RigidMember self, FloatsKey a0) -> bool
8835 has_attribute(RigidMember self, IntsKey a0) -> bool
8836 has_attribute(RigidMember self, StringKey a0) -> bool
8837 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8838 has_attribute(RigidMember self, ObjectKey a0) -> bool
8839 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8840 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8841 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8842 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8844 return _IMP_core.RigidMember_has_attribute(self, *args)
8846 def get_derivative(self, a0):
8847 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8848 return _IMP_core.RigidMember_get_derivative(self, a0)
8851 r"""get_name(RigidMember self) -> std::string"""
8852 return _IMP_core.RigidMember_get_name(self)
8854 def clear_caches(self):
8855 r"""clear_caches(RigidMember self)"""
8856 return _IMP_core.RigidMember_clear_caches(self)
8858 def set_name(self, a0):
8859 r"""set_name(RigidMember self, std::string a0)"""
8860 return _IMP_core.RigidMember_set_name(self, a0)
8863 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8864 return _IMP_core.RigidMember_set_check_level(self, a0)
8866 def add_to_derivative(self, a0, a1, a2):
8867 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8868 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8870 def set_is_optimized(self, a0, a1):
8871 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8872 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8874 def get_is_optimized(self, a0):
8875 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8876 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8879 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8880 return _IMP_core.RigidMember_get_check_level(self)
8882 def __eq__(self, *args):
8884 __eq__(RigidMember self, RigidMember o) -> bool
8885 __eq__(RigidMember self, Particle d) -> bool
8887 return _IMP_core.RigidMember___eq__(self, *args)
8889 def __ne__(self, *args):
8891 __ne__(RigidMember self, RigidMember o) -> bool
8892 __ne__(RigidMember self, Particle d) -> bool
8894 return _IMP_core.RigidMember___ne__(self, *args)
8896 def __le__(self, *args):
8898 __le__(RigidMember self, RigidMember o) -> bool
8899 __le__(RigidMember self, Particle d) -> bool
8901 return _IMP_core.RigidMember___le__(self, *args)
8903 def __lt__(self, *args):
8905 __lt__(RigidMember self, RigidMember o) -> bool
8906 __lt__(RigidMember self, Particle d) -> bool
8908 return _IMP_core.RigidMember___lt__(self, *args)
8910 def __ge__(self, *args):
8912 __ge__(RigidMember self, RigidMember o) -> bool
8913 __ge__(RigidMember self, Particle d) -> bool
8915 return _IMP_core.RigidMember___ge__(self, *args)
8917 def __gt__(self, *args):
8919 __gt__(RigidMember self, RigidMember o) -> bool
8920 __gt__(RigidMember self, Particle d) -> bool
8922 return _IMP_core.RigidMember___gt__(self, *args)
8925 r"""__hash__(RigidMember self) -> std::size_t"""
8926 return _IMP_core.RigidMember___hash__(self)
8929 r"""__str__(RigidMember self) -> std::string"""
8930 return _IMP_core.RigidMember___str__(self)
8933 r"""__repr__(RigidMember self) -> std::string"""
8934 return _IMP_core.RigidMember___repr__(self)
8936 def _get_as_binary(self):
8937 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8938 return _IMP_core.RigidMember__get_as_binary(self)
8940 def _set_from_binary(self, p):
8941 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8942 return _IMP_core.RigidMember__set_from_binary(self, p)
8944 def __getstate__(self):
8945 p = self._get_as_binary()
8946 if len(self.__dict__) > 1:
8947 d = self.__dict__.copy()
8952 def __setstate__(self, p):
8953 if not hasattr(self,
'this'):
8955 if isinstance(p, tuple):
8957 self.__dict__.update(d)
8958 return self._set_from_binary(p)
8962 _IMP_core.RigidMember_swigregister(RigidMember)
8963 class NonRigidMember(RigidBodyMember):
8964 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8966 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8968 def show(self, *args):
8969 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8970 return _IMP_core.NonRigidMember_show(self, *args)
8972 def __init__(self, *args):
8974 __init__(NonRigidMember self) -> NonRigidMember
8975 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8976 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8977 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8979 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8980 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8983 def get_is_setup(*args):
8985 get_is_setup(_ParticleAdaptor p) -> bool
8986 get_is_setup(Model m, ParticleIndex p) -> bool
8988 return _IMP_core.NonRigidMember_get_is_setup(*args)
8990 def add_to_internal_derivatives(self, deriv_parent, da):
8991 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8992 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8994 def add_to_internal_rotational_derivatives(self, qderiv, da):
8995 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
8996 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
8998 def get_internal_derivatives(self):
8999 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9000 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9002 def get_internal_rotational_derivatives(self):
9003 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9004 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9006 def add_attribute(self, *args):
9008 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9009 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9010 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9011 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9012 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9013 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9014 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9015 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9016 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9017 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9018 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9019 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9021 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9023 def get_value(self, *args):
9025 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9026 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9027 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9028 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9029 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9030 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9031 get_value(NonRigidMember self, ObjectKey a0) -> Object
9032 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9033 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9034 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9035 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9037 return _IMP_core.NonRigidMember_get_value(self, *args)
9039 def set_value(self, *args):
9041 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9042 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9043 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9044 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9045 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9046 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9047 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9048 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9049 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9050 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9051 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9053 return _IMP_core.NonRigidMember_set_value(self, *args)
9055 def remove_attribute(self, *args):
9057 remove_attribute(NonRigidMember self, FloatKey a0)
9058 remove_attribute(NonRigidMember self, IntKey a0)
9059 remove_attribute(NonRigidMember self, FloatsKey a0)
9060 remove_attribute(NonRigidMember self, IntsKey a0)
9061 remove_attribute(NonRigidMember self, StringKey a0)
9062 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9063 remove_attribute(NonRigidMember self, ObjectKey a0)
9064 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9065 remove_attribute(NonRigidMember self, SparseIntKey a0)
9066 remove_attribute(NonRigidMember self, SparseStringKey a0)
9067 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9069 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9071 def has_attribute(self, *args):
9073 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9074 has_attribute(NonRigidMember self, IntKey a0) -> bool
9075 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9076 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9077 has_attribute(NonRigidMember self, StringKey a0) -> bool
9078 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9079 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9080 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9081 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9082 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9083 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9085 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9087 def get_derivative(self, a0):
9088 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9089 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9092 r"""get_name(NonRigidMember self) -> std::string"""
9093 return _IMP_core.NonRigidMember_get_name(self)
9095 def clear_caches(self):
9096 r"""clear_caches(NonRigidMember self)"""
9097 return _IMP_core.NonRigidMember_clear_caches(self)
9099 def set_name(self, a0):
9100 r"""set_name(NonRigidMember self, std::string a0)"""
9101 return _IMP_core.NonRigidMember_set_name(self, a0)
9104 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9105 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9107 def add_to_derivative(self, a0, a1, a2):
9108 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9109 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9111 def set_is_optimized(self, a0, a1):
9112 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9113 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9115 def get_is_optimized(self, a0):
9116 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9117 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9120 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9121 return _IMP_core.NonRigidMember_get_check_level(self)
9123 def __eq__(self, *args):
9125 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9126 __eq__(NonRigidMember self, Particle d) -> bool
9128 return _IMP_core.NonRigidMember___eq__(self, *args)
9130 def __ne__(self, *args):
9132 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9133 __ne__(NonRigidMember self, Particle d) -> bool
9135 return _IMP_core.NonRigidMember___ne__(self, *args)
9137 def __le__(self, *args):
9139 __le__(NonRigidMember self, NonRigidMember o) -> bool
9140 __le__(NonRigidMember self, Particle d) -> bool
9142 return _IMP_core.NonRigidMember___le__(self, *args)
9144 def __lt__(self, *args):
9146 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9147 __lt__(NonRigidMember self, Particle d) -> bool
9149 return _IMP_core.NonRigidMember___lt__(self, *args)
9151 def __ge__(self, *args):
9153 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9154 __ge__(NonRigidMember self, Particle d) -> bool
9156 return _IMP_core.NonRigidMember___ge__(self, *args)
9158 def __gt__(self, *args):
9160 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9161 __gt__(NonRigidMember self, Particle d) -> bool
9163 return _IMP_core.NonRigidMember___gt__(self, *args)
9166 r"""__hash__(NonRigidMember self) -> std::size_t"""
9167 return _IMP_core.NonRigidMember___hash__(self)
9170 r"""__str__(NonRigidMember self) -> std::string"""
9171 return _IMP_core.NonRigidMember___str__(self)
9174 r"""__repr__(NonRigidMember self) -> std::string"""
9175 return _IMP_core.NonRigidMember___repr__(self)
9177 def _get_as_binary(self):
9178 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9179 return _IMP_core.NonRigidMember__get_as_binary(self)
9181 def _set_from_binary(self, p):
9182 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9183 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9185 def __getstate__(self):
9186 p = self._get_as_binary()
9187 if len(self.__dict__) > 1:
9188 d = self.__dict__.copy()
9193 def __setstate__(self, p):
9194 if not hasattr(self,
'this'):
9196 if isinstance(p, tuple):
9198 self.__dict__.update(d)
9199 return self._set_from_binary(p)
9203 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9205 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9207 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9209 def __init__(self, *args):
9210 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9211 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9213 def do_get_inputs(self, m, pis):
9214 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9215 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9217 def get_version_info(self):
9218 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9219 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9220 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9223 r"""__str__(RigidMembersRefiner self) -> std::string"""
9224 return _IMP_core.RigidMembersRefiner___str__(self)
9227 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9228 return _IMP_core.RigidMembersRefiner___repr__(self)
9232 return _object_cast_to_RigidMembersRefiner(o)
9236 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9238 def get_rigid_members_refiner():
9239 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9240 return _IMP_core.get_rigid_members_refiner()
9244 transform(XYZ a, Transformation3D tr)
9245 transform(RigidBody a, Transformation3D tr)
9247 return _IMP_core.transform(*args)
9251 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9252 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9254 return _IMP_core.get_initial_reference_frame(*args)
9257 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9258 return _IMP_core.create_rigid_bodies(m, n, no_members)
9261 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9262 return _IMP_core.show_rigid_body_hierarchy(*args)
9265 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9266 return _IMP_core.get_root_rigid_body(m)
9268 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9270 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9272 def __init__(self, *args):
9273 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9274 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9276 def do_get_inputs(self, m, pis):
9277 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9278 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9280 def do_get_outputs(self, m, pis):
9281 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9282 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9284 def get_version_info(self):
9285 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9286 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9287 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9290 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9291 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9294 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9295 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9299 return _object_cast_to__UpdateRigidBodyMembers(o)
9303 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9305 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9307 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9309 def __init__(self, *args):
9310 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9311 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9313 def do_get_inputs(self, m, pis):
9314 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9315 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9317 def do_get_outputs(self, m, pis):
9318 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9319 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9321 def get_version_info(self):
9322 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9323 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9324 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9327 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9328 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9331 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9332 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9336 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9340 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9342 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9344 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9346 def __init__(self, *args):
9347 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9348 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9350 def do_get_inputs(self, m, pis):
9351 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9352 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9354 def do_get_outputs(self, m, pis):
9355 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9356 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9358 def get_version_info(self):
9359 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9360 return _IMP_core._NormalizeRotation_get_version_info(self)
9361 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9364 r"""__str__(_NormalizeRotation self) -> std::string"""
9365 return _IMP_core._NormalizeRotation___str__(self)
9368 r"""__repr__(_NormalizeRotation self) -> std::string"""
9369 return _IMP_core._NormalizeRotation___repr__(self)
9373 return _object_cast_to__NormalizeRotation(o)
9377 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9379 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9381 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9383 def __init__(self, *args, **kwargs):
9384 raise AttributeError(
"No constructor defined - class is abstract")
9386 def get_before_modifier(self):
9387 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9388 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9390 def get_container(self):
9391 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9392 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9394 def get_version_info(self):
9395 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9396 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9397 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9400 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9401 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9404 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9405 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9409 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9413 from IMP.algebra._jax_util
import _quaternion_normalize
9415 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9418 allrbs = jm[
'rigid_bodies']
9419 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9421 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9425 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9427 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9429 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9431 def __init__(self, *args, **kwargs):
9432 raise AttributeError(
"No constructor defined - class is abstract")
9434 def get_version_info(self):
9435 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9436 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9437 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9439 def get_before_modifier(self):
9440 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9441 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9443 def get_after_modifier(self):
9444 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9445 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9448 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9449 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9452 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9453 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9456 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9457 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9461 return _object_cast_to__RigidBodyPositionConstraint(o)
9468 bodies = jm[
'rigid_bodies'].bodies
9473 jm = body.update_members(jm)
9475 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9479 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9481 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9485 def __init__(self, rb, constituents):
9486 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9487 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9489 def get_version_info(self):
9490 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9491 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9492 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9495 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9496 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9499 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9500 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9504 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9508 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9510 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9514 def __init__(self, *args):
9516 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9517 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9519 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9521 def get_version_info(self):
9522 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9523 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9524 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9527 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9528 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9531 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9532 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9536 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9540 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9542 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9544 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9546 def __init__(self, sc):
9547 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9548 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9550 def get_version_info(self):
9551 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9552 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9553 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9556 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9557 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9560 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9561 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9565 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9569 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9571 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9573 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9575 def __init__(self, *args):
9577 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9578 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9580 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9582 def get_version_info(self):
9583 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9584 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9585 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9588 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9589 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9592 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9593 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9597 return _object_cast_to_RigidBodyFrameGeometry(o)
9601 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9603 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9607 def __init__(self, sc):
9608 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9609 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9611 def get_version_info(self):
9612 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9613 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9614 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9617 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9618 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9621 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9622 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9626 return _object_cast_to_RigidBodyFramesGeometry(o)
9630 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9632 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9634 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9636 def __init__(self, p):
9637 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9638 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9641 r"""__str__(RigidBodyTorque self) -> std::string"""
9642 return _IMP_core.RigidBodyTorque___str__(self)
9645 r"""__repr__(RigidBodyTorque self) -> std::string"""
9646 return _IMP_core.RigidBodyTorque___repr__(self)
9650 return _object_cast_to_RigidBodyTorque(o)
9652 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9655 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9656 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9657 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9662 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9663 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9665 def get_close_pairs(self, *args):
9667 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9668 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9669 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9670 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9672 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9674 def do_get_inputs(self, m, pis):
9675 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9676 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9678 def get_version_info(self):
9679 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9680 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9681 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9684 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9685 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9688 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9689 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9693 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9697 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9699 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9703 def __init__(self, *args):
9705 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9706 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9707 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9709 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9711 def do_add_score_and_derivatives(self, sa, ss):
9712 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9713 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9715 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9716 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)"""
9717 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9719 def do_get_inputs(self):
9720 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9721 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9723 def get_restraints(self):
9724 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9725 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9727 def set_restraints(self, d):
9728 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9729 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9731 def get_number_of_restraints(self):
9732 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9733 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9735 def clear_restraints(self):
9736 r"""clear_restraints(RestraintsScoringFunction self)"""
9737 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9739 def get_restraint(self, i):
9740 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9741 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9743 def erase_restraint(self, i):
9744 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9745 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9748 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9749 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9752 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9753 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9755 def _python_index_restraint(self, r, start, stop):
9756 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9757 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9758 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)
9759 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9760 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9761 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9763 def get_version_info(self):
9764 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9765 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9766 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9769 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9770 return _IMP_core.RestraintsScoringFunction___str__(self)
9773 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9774 return _IMP_core.RestraintsScoringFunction___repr__(self)
9778 return _object_cast_to_RestraintsScoringFunction(o)
9781 def _get_as_binary(self):
9782 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9783 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9785 def _set_from_binary(self, p):
9786 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9787 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9789 def __getstate__(self):
9790 p = self._get_as_binary()
9791 if len(self.__dict__) > 1:
9792 d = self.__dict__.copy()
9797 def __setstate__(self, p):
9798 if not hasattr(self,
'this'):
9800 if isinstance(p, tuple):
9802 self.__dict__.update(d)
9803 return self._set_from_binary(p)
9807 import IMP._jax_util
9808 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9809 funcs = [j.score_func
for j
in jis]
9810 keys = frozenset(x
for j
in jis
for x
in j._keys)
9812 return sum(f(jm)
for f
in funcs)
9813 return IMP._jax_util.JAXRestraintInfo(
9814 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9818 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9819 class RigidClosePairsFinder(ClosePairsFinder):
9820 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9822 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9824 def __init__(self, cpf=None):
9825 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9826 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9828 def do_get_inputs(self, m, pis):
9829 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9830 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9832 def get_close_pairs(self, *args):
9834 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9835 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9836 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9837 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9838 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9840 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9842 def get_version_info(self):
9843 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9844 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9845 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9848 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9849 return _IMP_core.RigidClosePairsFinder___str__(self)
9852 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9853 return _IMP_core.RigidClosePairsFinder___repr__(self)
9857 return _object_cast_to_RigidClosePairsFinder(o)
9860 def _get_as_binary(self):
9861 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9862 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9864 def _set_from_binary(self, p):
9865 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9866 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9868 def __getstate__(self):
9869 p = self._get_as_binary()
9870 if len(self.__dict__) > 1:
9871 d = self.__dict__.copy()
9876 def __setstate__(self, p):
9877 if not hasattr(self,
'this'):
9879 if isinstance(p, tuple):
9881 self.__dict__.update(d)
9882 return self._set_from_binary(p)
9886 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9888 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9891 __repr__ = _swig_repr
9893 def __init__(self, *args):
9895 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9896 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9898 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9900 def do_get_inputs(self, m, pis):
9901 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9902 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9904 def get_score_functor(self, *args):
9906 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9907 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9909 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9911 def get_version_info(self):
9912 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9913 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9914 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9918 return _object_cast_to__SphereDistancePairScore(o)
9921 def _get_as_binary(self):
9922 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9923 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9925 def _set_from_binary(self, p):
9926 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9927 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9929 def __getstate__(self):
9930 p = self._get_as_binary()
9931 if len(self.__dict__) > 1:
9932 d = self.__dict__.copy()
9937 def __setstate__(self, p):
9938 if not hasattr(self,
'this'):
9940 if isinstance(p, tuple):
9942 self.__dict__.update(d)
9943 return self._set_from_binary(p)
9946 def _get_jax(self, m, indexes):
9947 import jax.numpy
as jnp
9948 def jax_score(jm, uf):
9949 xyzs = jm[
'xyz'][indexes]
9950 rs = jm[
'r'][indexes]
9951 diff = xyzs[:,0] - xyzs[:,1]
9952 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9954 sfnc = self.get_score_functor()
9955 uf = sfnc.get_unary_function().get_derived_object()
9956 f = functools.partial(jax_score, uf=uf._get_jax())
9957 return self._wrap_jax(m, f)
9961 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9962 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9963 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9967 def __init__(self, *args):
9969 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9970 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9972 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9974 def do_get_inputs(self, m, pis):
9975 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9976 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9978 def get_score_functor(self, *args):
9980 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9981 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9983 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9986 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9987 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
9990 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9991 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
9993 def get_version_info(self):
9994 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9995 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9996 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9999 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10000 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10002 def __repr__(self):
10003 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10004 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10008 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10011 def _get_as_binary(self):
10012 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10013 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10015 def _set_from_binary(self, p):
10016 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10017 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10019 def __getstate__(self):
10020 p = self._get_as_binary()
10021 if len(self.__dict__) > 1:
10022 d = self.__dict__.copy()
10027 def __setstate__(self, p):
10028 if not hasattr(self,
'this'):
10030 if isinstance(p, tuple):
10032 self.__dict__.update(d)
10033 return self._set_from_binary(p)
10036 def _get_jax(self, m, indexes):
10037 import jax.numpy
as jnp
10039 def jax_score(jm, d, k):
10040 xyzs = jm[
'xyz'][indexes]
10041 rs = jm[
'r'][indexes]
10042 diff = xyzs[:,0] - xyzs[:,1]
10043 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10044 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10045 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10046 return self._wrap_jax(m, f)
10050 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10051 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10052 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10054 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10056 def __init__(self, d0, k):
10057 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10058 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10060 def get_rest_length(self):
10061 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10062 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10064 def get_stiffness(self):
10065 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10066 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10068 def do_get_inputs(self, m, pis):
10069 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10070 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10072 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10073 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"""
10074 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10076 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10077 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"""
10078 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10080 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10081 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"""
10082 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10084 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10085 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"""
10086 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10088 def get_version_info(self):
10089 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10090 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10091 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10094 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10095 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10097 def __repr__(self):
10098 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10099 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10103 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10107 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10109 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10113 def __init__(self, *args):
10115 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10116 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10118 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10120 def do_get_inputs(self, m, pis):
10121 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10122 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10124 def get_score_functor(self, *args):
10126 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10127 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10129 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10132 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10133 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10136 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10137 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10139 def get_version_info(self):
10140 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10141 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10142 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10145 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10146 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10148 def __repr__(self):
10149 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10150 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10154 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10157 def _get_as_binary(self):
10158 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10159 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10161 def _set_from_binary(self, p):
10162 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10163 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10165 def __getstate__(self):
10166 p = self._get_as_binary()
10167 if len(self.__dict__) > 1:
10168 d = self.__dict__.copy()
10173 def __setstate__(self, p):
10174 if not hasattr(self,
'this'):
10176 if isinstance(p, tuple):
10178 self.__dict__.update(d)
10179 return self._set_from_binary(p)
10182 def _get_jax(self, m, indexes):
10183 import jax.numpy
as jnp
10184 def jax_score(jm, d, k):
10185 xyzs = jm[
'xyz'][indexes]
10186 rs = jm[
'r'][indexes]
10187 diff = xyzs[:,0] - xyzs[:,1]
10188 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10189 return 0.5 * k * (d - drs)**2
10190 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10191 return self._wrap_jax(m, f)
10195 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10197 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10201 def __init__(self, *args):
10202 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10203 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10205 def do_get_inputs(self, m, pis):
10206 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10207 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10209 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10210 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"""
10211 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10213 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10214 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"""
10215 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10217 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10218 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"""
10219 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10221 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10222 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"""
10223 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10225 def get_version_info(self):
10226 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10227 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10228 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10231 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10232 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10234 def __repr__(self):
10235 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10236 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10240 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10244 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10246 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10250 def __init__(self, *args):
10251 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10252 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10254 def do_get_inputs(self, m, pis):
10255 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10256 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10258 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10259 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"""
10260 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10262 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10263 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"""
10264 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10266 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10267 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"""
10268 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10270 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10271 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"""
10272 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10274 def get_version_info(self):
10275 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10276 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10277 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10280 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10281 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10283 def __repr__(self):
10284 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10285 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10289 return _object_cast_to_WeightedSphereDistancePairScore(o)
10293 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10295 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10299 def __init__(self, *args):
10301 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10302 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10304 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10306 def do_get_inputs(self, m, pis):
10307 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10308 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10310 def get_score_functor(self, *args):
10312 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10313 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10315 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10318 r"""get_k(SoftSpherePairScore self) -> double"""
10319 return _IMP_core.SoftSpherePairScore_get_k(self)
10321 def get_version_info(self):
10322 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10323 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10324 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10327 r"""__str__(SoftSpherePairScore self) -> std::string"""
10328 return _IMP_core.SoftSpherePairScore___str__(self)
10330 def __repr__(self):
10331 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10332 return _IMP_core.SoftSpherePairScore___repr__(self)
10336 return _object_cast_to_SoftSpherePairScore(o)
10339 def _get_as_binary(self):
10340 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10341 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10343 def _set_from_binary(self, p):
10344 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10345 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10347 def __getstate__(self):
10348 p = self._get_as_binary()
10349 if len(self.__dict__) > 1:
10350 d = self.__dict__.copy()
10355 def __setstate__(self, p):
10356 if not hasattr(self,
'this'):
10358 if isinstance(p, tuple):
10360 self.__dict__.update(d)
10361 return self._set_from_binary(p)
10364 def _get_jax(self, m, indexes):
10365 import jax.numpy
as jnp
10367 def jax_score(jm, k):
10368 xyzs = jm[
'xyz'][indexes]
10369 rs = jm[
'r'][indexes]
10370 diff = xyzs[:,0] - xyzs[:,1]
10371 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10372 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10373 f = functools.partial(jax_score, k=self.get_k())
10374 return self._wrap_jax(m, f)
10378 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10380 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10382 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10384 def __init__(self, *args):
10385 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10386 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10388 def do_get_inputs(self, m, pis):
10389 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10390 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10392 def get_version_info(self):
10393 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10394 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10395 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10398 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10399 return _IMP_core.SurfaceDistancePairScore___str__(self)
10401 def __repr__(self):
10402 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10403 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10407 return _object_cast_to_SurfaceDistancePairScore(o)
10411 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10413 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10417 def __init__(self, *args):
10418 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10419 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10421 def do_get_inputs(self, m, pis):
10422 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10423 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10425 def get_version_info(self):
10426 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10427 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10428 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10431 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10432 return _IMP_core.SurfaceHeightPairScore___str__(self)
10434 def __repr__(self):
10435 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10436 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10440 return _object_cast_to_SurfaceHeightPairScore(o)
10444 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10446 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10448 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10450 def __init__(self, *args):
10451 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10452 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10454 def do_get_inputs(self, m, pis):
10455 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10456 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10458 def get_version_info(self):
10459 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10460 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10461 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10464 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10465 return _IMP_core.SurfaceDepthPairScore___str__(self)
10467 def __repr__(self):
10468 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10469 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10473 return _object_cast_to_SurfaceDepthPairScore(o)
10477 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10479 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10481 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10483 def __init__(self, *args):
10484 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10485 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10487 def do_get_inputs(self, m, pis):
10488 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10489 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10491 def get_version_info(self):
10492 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10493 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10494 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10497 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10498 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10500 def __repr__(self):
10501 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10502 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10506 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10510 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10512 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10514 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10516 def __init__(self, *args):
10517 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10518 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10520 def do_get_inputs(self, m, pis):
10521 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10522 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10524 def get_version_info(self):
10525 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10526 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10527 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10530 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10531 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10533 def __repr__(self):
10534 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10535 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10539 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10543 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10545 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10547 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10549 def __init__(self, *args):
10550 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10551 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10553 def do_get_inputs(self, m, pis):
10554 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10555 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10557 def get_version_info(self):
10558 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10559 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10560 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10563 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10564 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10566 def __repr__(self):
10567 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10568 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10572 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10576 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10578 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10580 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10582 def __init__(self, *args):
10583 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10584 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10586 def do_get_inputs(self, m, pis):
10587 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10588 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10590 def get_version_info(self):
10591 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10592 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10593 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10596 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10597 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10599 def __repr__(self):
10600 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10601 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10605 return _object_cast_to_SoftSuperSurfacePairScore(o)
10609 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10611 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10613 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10615 def __init__(self, *args):
10616 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10617 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10619 def do_get_inputs(self, m, pis):
10620 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10621 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10623 def get_version_info(self):
10624 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10625 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10626 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10629 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10630 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10632 def __repr__(self):
10633 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10634 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10638 return _object_cast_to_SoftSubSurfacePairScore(o)
10642 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10644 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10646 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10648 def __init__(self, link_num, link_length):
10649 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10650 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10652 def get_version_info(self):
10653 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10654 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10655 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10657 def get_link_number(self):
10658 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10659 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10661 def get_link_length(self):
10662 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10663 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10665 def set_link_number(self, N):
10666 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10667 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10669 def set_link_length(self, b):
10670 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10671 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10673 def get_distance_at_minimum(self):
10674 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10675 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10677 def get_average_distance(self):
10678 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10679 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10682 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10683 return _IMP_core.SurfaceTetheredChain___str__(self)
10685 def __repr__(self):
10686 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10687 return _IMP_core.SurfaceTetheredChain___repr__(self)
10691 return _object_cast_to_SurfaceTetheredChain(o)
10695 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10697 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10699 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10701 def __init__(self, m, ss, rbs):
10702 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10703 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10705 def do_get_inputs(self):
10706 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10707 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10709 def do_get_outputs(self):
10710 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10711 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10713 def get_version_info(self):
10714 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10715 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10716 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10719 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10720 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10722 def __repr__(self):
10723 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10724 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10728 return _object_cast_to_SurfaceSymmetryConstraint(o)
10732 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10734 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10738 def __init__(self, *args):
10739 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10740 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10742 def do_optimize(self, max_steps):
10743 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10744 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10746 def get_version_info(self):
10747 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10748 return _IMP_core.SteepestDescent_get_version_info(self)
10749 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10751 def set_threshold(self, t):
10752 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10753 return _IMP_core.SteepestDescent_set_threshold(self, t)
10755 def set_step_size(self, t):
10756 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10757 return _IMP_core.SteepestDescent_set_step_size(self, t)
10759 def set_maximum_step_size(self, t):
10760 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10761 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10764 r"""__str__(SteepestDescent self) -> std::string"""
10765 return _IMP_core.SteepestDescent___str__(self)
10767 def __repr__(self):
10768 r"""__repr__(SteepestDescent self) -> std::string"""
10769 return _IMP_core.SteepestDescent___repr__(self)
10773 return _object_cast_to_SteepestDescent(o)
10777 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10779 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10781 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10783 def __init__(self, f, transformation):
10784 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10785 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10787 def set_transformation(self, rot):
10788 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10789 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10791 def do_get_inputs(self, m, pis):
10792 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10793 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10795 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10796 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"""
10797 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10799 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10800 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"""
10801 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10803 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10804 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"""
10805 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10807 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10808 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"""
10809 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10811 def get_version_info(self):
10812 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10813 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10814 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10817 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10818 return _IMP_core.TransformedDistancePairScore___str__(self)
10820 def __repr__(self):
10821 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10822 return _IMP_core.TransformedDistancePairScore___repr__(self)
10826 return _object_cast_to_TransformedDistancePairScore(o)
10830 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10832 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10836 def __init__(self, typekey, allow_invalid_types=True):
10837 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10838 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10840 def set_particle_type(self, arg2):
10841 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10842 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10844 def set_pair_score(self, ps, atype, btype):
10845 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10846 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10848 def do_get_inputs(self, m, pis):
10849 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10850 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10852 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10853 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"""
10854 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10856 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10857 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"""
10858 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10860 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10861 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"""
10862 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10864 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10865 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"""
10866 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10868 def get_version_info(self):
10869 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10870 return _IMP_core.TypedPairScore_get_version_info(self)
10871 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10874 r"""__str__(TypedPairScore self) -> std::string"""
10875 return _IMP_core.TypedPairScore___str__(self)
10877 def __repr__(self):
10878 r"""__repr__(TypedPairScore self) -> std::string"""
10879 return _IMP_core.TypedPairScore___repr__(self)
10883 return _object_cast_to_TypedPairScore(o)
10887 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10888 class RigidBodyDistancePairScore(KClosePairsPairScore):
10889 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10893 def __init__(self, ps, r):
10894 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10895 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10898 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10899 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10901 def __repr__(self):
10902 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10903 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10907 return _object_cast_to_RigidBodyDistancePairScore(o)
10909 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10912 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10914 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10918 def __init__(self, f):
10919 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10920 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10922 def do_get_inputs(self, m, pis):
10923 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10924 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10926 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10927 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"""
10928 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10930 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10931 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"""
10932 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10934 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10935 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"""
10936 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10938 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10939 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"""
10940 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10942 def get_version_info(self):
10943 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10944 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10945 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10948 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10949 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10951 def __repr__(self):
10952 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10953 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10957 return _object_cast_to_RigidBodyAnglePairScore(o)
10961 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10963 r"""Proxy of C++ IMP::core::TableRefiner class."""
10965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10967 def __init__(self):
10968 r"""__init__(TableRefiner self) -> TableRefiner"""
10969 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10972 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10973 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10975 def remove_particle(self, p):
10976 r"""remove_particle(TableRefiner self, Particle p)"""
10977 return _IMP_core.TableRefiner_remove_particle(self, p)
10979 def set_particle(self, p, ps):
10980 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10981 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10983 def do_get_inputs(self, m, pis):
10984 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10985 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10987 def get_version_info(self):
10988 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10989 return _IMP_core.TableRefiner_get_version_info(self)
10990 __swig_destroy__ = _IMP_core.delete_TableRefiner
10993 r"""__str__(TableRefiner self) -> std::string"""
10994 return _IMP_core.TableRefiner___str__(self)
10996 def __repr__(self):
10997 r"""__repr__(TableRefiner self) -> std::string"""
10998 return _IMP_core.TableRefiner___repr__(self)
11002 return _object_cast_to_TableRefiner(o)
11006 _IMP_core.TableRefiner_swigregister(TableRefiner)
11007 LOWER = _IMP_core.LOWER
11009 BOTH = _IMP_core.BOTH
11011 UPPER = _IMP_core.UPPER
11014 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11018 def __init__(self, *args):
11019 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11020 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11022 def set_bounding_box(self, bb):
11023 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11024 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11026 def set_number_of_attempts(self, att):
11027 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11028 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11030 def set_number_of_monte_carlo_steps(self, cg):
11031 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11032 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11034 def set_number_of_conjugate_gradient_steps(self, cg):
11035 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11036 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11038 def set_max_monte_carlo_step_size(self, *args):
11040 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11041 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11043 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11045 def set_is_refining(self, tf):
11046 r"""set_is_refining(MCCGSampler self, bool tf)"""
11047 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11049 def set_local_optimizer(self, opt):
11050 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11051 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11053 def set_save_rejected_configurations(self, tf):
11054 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11055 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11057 def get_rejected_configurations(self):
11058 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11059 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11060 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)
11061 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11062 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11063 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11065 def remove_optimizer_state(self, d):
11066 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11067 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11069 def _python_index_optimizer_state(self, d, start, stop):
11070 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11071 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11073 def remove_optimizer_states(self, d):
11074 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11075 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11077 def set_optimizer_states(self, ps):
11078 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11079 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11081 def set_optimizer_states_order(self, objs):
11082 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11083 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11085 def add_optimizer_state(self, obj):
11086 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11087 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11089 def add_optimizer_states(self, objs):
11090 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11091 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11093 def clear_optimizer_states(self):
11094 r"""clear_optimizer_states(MCCGSampler self)"""
11095 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11097 def get_number_of_optimizer_states(self):
11098 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11099 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11101 def get_has_optimizer_states(self):
11102 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11103 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11105 def get_optimizer_state(self, i):
11106 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11107 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11109 def get_optimizer_states(self):
11110 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11111 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11113 def erase_optimizer_state(self, i):
11114 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11115 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11117 def reserve_optimizer_states(self, sz):
11118 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11119 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11121 def do_sample(self):
11122 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11123 return _IMP_core.MCCGSampler_do_sample(self)
11125 def get_version_info(self):
11126 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11127 return _IMP_core.MCCGSampler_get_version_info(self)
11128 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11131 r"""__str__(MCCGSampler self) -> std::string"""
11132 return _IMP_core.MCCGSampler___str__(self)
11134 def __repr__(self):
11135 r"""__repr__(MCCGSampler self) -> std::string"""
11136 return _IMP_core.MCCGSampler___repr__(self)
11140 return _object_cast_to_MCCGSampler(o)
11144 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11146 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11148 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11150 def __init__(self, *args):
11151 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11152 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11154 def do_get_inputs(self):
11155 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11156 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11158 def get_version_info(self):
11159 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11160 return _IMP_core.MinimumRestraint_get_version_info(self)
11161 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11162 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)
11163 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11164 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11165 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11167 def remove_restraint(self, d):
11168 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11169 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11171 def _python_index_restraint(self, d, start, stop):
11172 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11173 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11175 def remove_restraints(self, d):
11176 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11177 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11179 def set_restraints(self, ps):
11180 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11181 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11183 def set_restraints_order(self, objs):
11184 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11185 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11188 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11189 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11192 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11193 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11195 def clear_restraints(self):
11196 r"""clear_restraints(MinimumRestraint self)"""
11197 return _IMP_core.MinimumRestraint_clear_restraints(self)
11199 def get_number_of_restraints(self):
11200 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11201 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11203 def get_has_restraints(self):
11204 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11205 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11207 def get_restraint(self, i):
11208 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11209 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11211 def get_restraints(self):
11212 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11213 return _IMP_core.MinimumRestraint_get_restraints(self)
11215 def erase_restraint(self, i):
11216 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11217 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11219 def reserve_restraints(self, sz):
11220 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11221 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11224 r"""__str__(MinimumRestraint self) -> std::string"""
11225 return _IMP_core.MinimumRestraint___str__(self)
11227 def __repr__(self):
11228 r"""__repr__(MinimumRestraint self) -> std::string"""
11229 return _IMP_core.MinimumRestraint___repr__(self)
11233 return _object_cast_to_MinimumRestraint(o)
11237 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11238 class Gaussian(RigidBody):
11239 r"""Proxy of C++ IMP::core::Gaussian class."""
11241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11243 def __init__(self, *args):
11245 __init__(Gaussian self) -> Gaussian
11246 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11247 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11249 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11251 def show(self, *args):
11252 r"""show(Gaussian self, _ostream out=std::cout)"""
11253 return _IMP_core.Gaussian_show(self, *args)
11256 def setup_particle(*args):
11258 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11259 setup_particle(_ParticleAdaptor pa) -> Gaussian
11260 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11261 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11263 return _IMP_core.Gaussian_setup_particle(*args)
11266 def get_local_covariance_key():
11267 r"""get_local_covariance_key() -> ObjectKey"""
11268 return _IMP_core.Gaussian_get_local_covariance_key()
11271 def get_global_covariance_key():
11272 r"""get_global_covariance_key() -> ObjectKey"""
11273 return _IMP_core.Gaussian_get_global_covariance_key()
11276 def get_is_setup(*args):
11278 get_is_setup(_ParticleAdaptor p) -> bool
11279 get_is_setup(Model m, ParticleIndex pi) -> bool
11281 return _IMP_core.Gaussian_get_is_setup(*args)
11283 def get_local_covariance(self):
11284 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11285 return _IMP_core.Gaussian_get_local_covariance(self)
11287 def get_variances(self):
11288 r"""get_variances(Gaussian self) -> Vector3D"""
11289 return _IMP_core.Gaussian_get_variances(self)
11291 def get_global_covariance(self):
11292 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11293 return _IMP_core.Gaussian_get_global_covariance(self)
11295 def get_gaussian(self):
11296 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11297 return _IMP_core.Gaussian_get_gaussian(self)
11299 def set_gaussian(self, g):
11300 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11301 return _IMP_core.Gaussian_set_gaussian(self, g)
11303 def set_local_covariance(self, covar):
11304 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11305 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11307 def set_variances(self, v):
11308 r"""set_variances(Gaussian self, Vector3D v)"""
11309 return _IMP_core.Gaussian_set_variances(self, v)
11311 def set_global_covariance(self, covar):
11312 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11313 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11315 def update_global_covariance(self):
11316 r"""update_global_covariance(Gaussian self)"""
11317 return _IMP_core.Gaussian_update_global_covariance(self)
11319 def add_attribute(self, *args):
11321 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11322 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11323 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11324 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11325 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11326 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11327 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11328 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11329 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11330 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11331 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11332 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11334 return _IMP_core.Gaussian_add_attribute(self, *args)
11336 def get_value(self, *args):
11338 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11339 get_value(Gaussian self, IntKey a0) -> IMP::Int
11340 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11341 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11342 get_value(Gaussian self, StringKey a0) -> IMP::String
11343 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11344 get_value(Gaussian self, ObjectKey a0) -> Object
11345 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11346 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11347 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11348 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11350 return _IMP_core.Gaussian_get_value(self, *args)
11352 def set_value(self, *args):
11354 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11355 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11356 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11357 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11358 set_value(Gaussian self, StringKey a0, IMP::String a1)
11359 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11360 set_value(Gaussian self, ObjectKey a0, Object a1)
11361 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11362 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11363 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11364 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11366 return _IMP_core.Gaussian_set_value(self, *args)
11368 def remove_attribute(self, *args):
11370 remove_attribute(Gaussian self, FloatKey a0)
11371 remove_attribute(Gaussian self, IntKey a0)
11372 remove_attribute(Gaussian self, FloatsKey a0)
11373 remove_attribute(Gaussian self, IntsKey a0)
11374 remove_attribute(Gaussian self, StringKey a0)
11375 remove_attribute(Gaussian self, ParticleIndexKey a0)
11376 remove_attribute(Gaussian self, ObjectKey a0)
11377 remove_attribute(Gaussian self, SparseFloatKey a0)
11378 remove_attribute(Gaussian self, SparseIntKey a0)
11379 remove_attribute(Gaussian self, SparseStringKey a0)
11380 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11382 return _IMP_core.Gaussian_remove_attribute(self, *args)
11384 def has_attribute(self, *args):
11386 has_attribute(Gaussian self, FloatKey a0) -> bool
11387 has_attribute(Gaussian self, IntKey a0) -> bool
11388 has_attribute(Gaussian self, FloatsKey a0) -> bool
11389 has_attribute(Gaussian self, IntsKey a0) -> bool
11390 has_attribute(Gaussian self, StringKey a0) -> bool
11391 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11392 has_attribute(Gaussian self, ObjectKey a0) -> bool
11393 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11394 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11395 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11396 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11398 return _IMP_core.Gaussian_has_attribute(self, *args)
11400 def get_derivative(self, a0):
11401 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11402 return _IMP_core.Gaussian_get_derivative(self, a0)
11404 def get_name(self):
11405 r"""get_name(Gaussian self) -> std::string"""
11406 return _IMP_core.Gaussian_get_name(self)
11408 def clear_caches(self):
11409 r"""clear_caches(Gaussian self)"""
11410 return _IMP_core.Gaussian_clear_caches(self)
11412 def set_name(self, a0):
11413 r"""set_name(Gaussian self, std::string a0)"""
11414 return _IMP_core.Gaussian_set_name(self, a0)
11417 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11418 return _IMP_core.Gaussian_set_check_level(self, a0)
11420 def add_to_derivative(self, a0, a1, a2):
11421 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11422 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11424 def set_is_optimized(self, a0, a1):
11425 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11426 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11428 def get_is_optimized(self, a0):
11429 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11430 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11433 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11434 return _IMP_core.Gaussian_get_check_level(self)
11436 def __eq__(self, *args):
11438 __eq__(Gaussian self, Gaussian o) -> bool
11439 __eq__(Gaussian self, Particle d) -> bool
11441 return _IMP_core.Gaussian___eq__(self, *args)
11443 def __ne__(self, *args):
11445 __ne__(Gaussian self, Gaussian o) -> bool
11446 __ne__(Gaussian self, Particle d) -> bool
11448 return _IMP_core.Gaussian___ne__(self, *args)
11450 def __le__(self, *args):
11452 __le__(Gaussian self, Gaussian o) -> bool
11453 __le__(Gaussian self, Particle d) -> bool
11455 return _IMP_core.Gaussian___le__(self, *args)
11457 def __lt__(self, *args):
11459 __lt__(Gaussian self, Gaussian o) -> bool
11460 __lt__(Gaussian self, Particle d) -> bool
11462 return _IMP_core.Gaussian___lt__(self, *args)
11464 def __ge__(self, *args):
11466 __ge__(Gaussian self, Gaussian o) -> bool
11467 __ge__(Gaussian self, Particle d) -> bool
11469 return _IMP_core.Gaussian___ge__(self, *args)
11471 def __gt__(self, *args):
11473 __gt__(Gaussian self, Gaussian o) -> bool
11474 __gt__(Gaussian self, Particle d) -> bool
11476 return _IMP_core.Gaussian___gt__(self, *args)
11478 def __hash__(self):
11479 r"""__hash__(Gaussian self) -> std::size_t"""
11480 return _IMP_core.Gaussian___hash__(self)
11483 r"""__str__(Gaussian self) -> std::string"""
11484 return _IMP_core.Gaussian___str__(self)
11486 def __repr__(self):
11487 r"""__repr__(Gaussian self) -> std::string"""
11488 return _IMP_core.Gaussian___repr__(self)
11490 def _get_as_binary(self):
11491 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11492 return _IMP_core.Gaussian__get_as_binary(self)
11494 def _set_from_binary(self, p):
11495 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11496 return _IMP_core.Gaussian__set_from_binary(self, p)
11498 def __getstate__(self):
11499 p = self._get_as_binary()
11500 if len(self.__dict__) > 1:
11501 d = self.__dict__.copy()
11506 def __setstate__(self, p):
11507 if not hasattr(self,
'this'):
11509 if isinstance(p, tuple):
11511 self.__dict__.update(d)
11512 return self._set_from_binary(p)
11514 __swig_destroy__ = _IMP_core.delete_Gaussian
11517 _IMP_core.Gaussian_swigregister(Gaussian)
11519 r"""Proxy of C++ IMP::core::PairRestraint class."""
11521 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11523 def __init__(self, *args):
11525 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11526 __init__(PairRestraint self) -> PairRestraint
11528 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11530 def get_score_object(self):
11531 r"""get_score_object(PairRestraint self) -> PairScore"""
11532 return _IMP_core.PairRestraint_get_score_object(self)
11535 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11536 return _IMP_core.PairRestraint_get_index(self)
11538 def get_version_info(self):
11539 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11540 return _IMP_core.PairRestraint_get_version_info(self)
11541 __swig_destroy__ = _IMP_core.delete_PairRestraint
11544 r"""__str__(PairRestraint self) -> std::string"""
11545 return _IMP_core.PairRestraint___str__(self)
11547 def __repr__(self):
11548 r"""__repr__(PairRestraint self) -> std::string"""
11549 return _IMP_core.PairRestraint___repr__(self)
11553 return _object_cast_to_PairRestraint(o)
11556 def _get_as_binary(self):
11557 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11558 return _IMP_core.PairRestraint__get_as_binary(self)
11560 def _set_from_binary(self, p):
11561 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11562 return _IMP_core.PairRestraint__set_from_binary(self, p)
11564 def __getstate__(self):
11565 p = self._get_as_binary()
11566 if len(self.__dict__) > 1:
11567 d = self.__dict__.copy()
11572 def __setstate__(self, p):
11573 if not hasattr(self,
'this'):
11575 if isinstance(p, tuple):
11577 self.__dict__.update(d)
11578 return self._set_from_binary(p)
11581 def _get_jax(self):
11582 from .
import _jax_util
11583 return _jax_util._get_jax_restraint(self)
11587 _IMP_core.PairRestraint_swigregister(PairRestraint)
11589 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11593 def __init__(self, *args):
11595 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11596 __init__(SingletonRestraint self) -> SingletonRestraint
11598 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11600 def get_score_object(self):
11601 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11602 return _IMP_core.SingletonRestraint_get_score_object(self)
11605 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11606 return _IMP_core.SingletonRestraint_get_index(self)
11608 def get_version_info(self):
11609 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11610 return _IMP_core.SingletonRestraint_get_version_info(self)
11611 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11614 r"""__str__(SingletonRestraint self) -> std::string"""
11615 return _IMP_core.SingletonRestraint___str__(self)
11617 def __repr__(self):
11618 r"""__repr__(SingletonRestraint self) -> std::string"""
11619 return _IMP_core.SingletonRestraint___repr__(self)
11623 return _object_cast_to_SingletonRestraint(o)
11626 def _get_as_binary(self):
11627 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11628 return _IMP_core.SingletonRestraint__get_as_binary(self)
11630 def _set_from_binary(self, p):
11631 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11632 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11634 def __getstate__(self):
11635 p = self._get_as_binary()
11636 if len(self.__dict__) > 1:
11637 d = self.__dict__.copy()
11642 def __setstate__(self, p):
11643 if not hasattr(self,
'this'):
11645 if isinstance(p, tuple):
11647 self.__dict__.update(d)
11648 return self._set_from_binary(p)
11651 def _get_jax(self):
11652 from .
import _jax_util
11653 return _jax_util._get_jax_restraint(self)
11657 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11659 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11663 def __init__(self, *args):
11665 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11666 __init__(TripletRestraint self) -> TripletRestraint
11668 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11670 def get_score_object(self):
11671 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11672 return _IMP_core.TripletRestraint_get_score_object(self)
11675 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11676 return _IMP_core.TripletRestraint_get_index(self)
11678 def get_version_info(self):
11679 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11680 return _IMP_core.TripletRestraint_get_version_info(self)
11681 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11684 r"""__str__(TripletRestraint self) -> std::string"""
11685 return _IMP_core.TripletRestraint___str__(self)
11687 def __repr__(self):
11688 r"""__repr__(TripletRestraint self) -> std::string"""
11689 return _IMP_core.TripletRestraint___repr__(self)
11693 return _object_cast_to_TripletRestraint(o)
11696 def _get_as_binary(self):
11697 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11698 return _IMP_core.TripletRestraint__get_as_binary(self)
11700 def _set_from_binary(self, p):
11701 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11702 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11704 def __getstate__(self):
11705 p = self._get_as_binary()
11706 if len(self.__dict__) > 1:
11707 d = self.__dict__.copy()
11712 def __setstate__(self, p):
11713 if not hasattr(self,
'this'):
11715 if isinstance(p, tuple):
11717 self.__dict__.update(d)
11718 return self._set_from_binary(p)
11722 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11724 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11726 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11728 def __init__(self, *args):
11730 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11731 __init__(QuadRestraint self) -> QuadRestraint
11733 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11735 def get_score_object(self):
11736 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11737 return _IMP_core.QuadRestraint_get_score_object(self)
11740 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11741 return _IMP_core.QuadRestraint_get_index(self)
11743 def get_version_info(self):
11744 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11745 return _IMP_core.QuadRestraint_get_version_info(self)
11746 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11749 r"""__str__(QuadRestraint self) -> std::string"""
11750 return _IMP_core.QuadRestraint___str__(self)
11752 def __repr__(self):
11753 r"""__repr__(QuadRestraint self) -> std::string"""
11754 return _IMP_core.QuadRestraint___repr__(self)
11758 return _object_cast_to_QuadRestraint(o)
11761 def _get_as_binary(self):
11762 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11763 return _IMP_core.QuadRestraint__get_as_binary(self)
11765 def _set_from_binary(self, p):
11766 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11767 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11769 def __getstate__(self):
11770 p = self._get_as_binary()
11771 if len(self.__dict__) > 1:
11772 d = self.__dict__.copy()
11777 def __setstate__(self, p):
11778 if not hasattr(self,
'this'):
11780 if isinstance(p, tuple):
11782 self.__dict__.update(d)
11783 return self._set_from_binary(p)
11787 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11789 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11793 def __init__(self, *args):
11795 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11796 __init__(SingletonConstraint self) -> SingletonConstraint
11798 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11800 def get_before_modifier(self):
11801 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11802 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11805 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11806 return _IMP_core.SingletonConstraint_get_index(self)
11808 def get_version_info(self):
11809 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11810 return _IMP_core.SingletonConstraint_get_version_info(self)
11811 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11814 r"""__str__(SingletonConstraint self) -> std::string"""
11815 return _IMP_core.SingletonConstraint___str__(self)
11817 def __repr__(self):
11818 r"""__repr__(SingletonConstraint self) -> std::string"""
11819 return _IMP_core.SingletonConstraint___repr__(self)
11823 return _object_cast_to_SingletonConstraint(o)
11826 def _get_as_binary(self):
11827 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11828 return _IMP_core.SingletonConstraint__get_as_binary(self)
11830 def _set_from_binary(self, p):
11831 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11832 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11834 def __getstate__(self):
11835 p = self._get_as_binary()
11836 if len(self.__dict__) > 1:
11837 d = self.__dict__.copy()
11842 def __setstate__(self, p):
11843 if not hasattr(self,
'this'):
11845 if isinstance(p, tuple):
11847 self.__dict__.update(d)
11848 return self._set_from_binary(p)
11851 def _get_jax(self):
11852 import jax.numpy
as jnp
11853 indexes = jnp.array([self.get_index()])
11854 mod = self.get_before_modifier().get_derived_object()
11855 ji = mod._get_jax(self.get_model(), indexes)
11856 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11860 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11862 r"""Proxy of C++ IMP::core::PairConstraint class."""
11864 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11866 def __init__(self, *args):
11868 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11869 __init__(PairConstraint self) -> PairConstraint
11871 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11873 def get_before_modifier(self):
11874 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11875 return _IMP_core.PairConstraint_get_before_modifier(self)
11878 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11879 return _IMP_core.PairConstraint_get_index(self)
11881 def get_version_info(self):
11882 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11883 return _IMP_core.PairConstraint_get_version_info(self)
11884 __swig_destroy__ = _IMP_core.delete_PairConstraint
11887 r"""__str__(PairConstraint self) -> std::string"""
11888 return _IMP_core.PairConstraint___str__(self)
11890 def __repr__(self):
11891 r"""__repr__(PairConstraint self) -> std::string"""
11892 return _IMP_core.PairConstraint___repr__(self)
11896 return _object_cast_to_PairConstraint(o)
11899 def _get_as_binary(self):
11900 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11901 return _IMP_core.PairConstraint__get_as_binary(self)
11903 def _set_from_binary(self, p):
11904 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11905 return _IMP_core.PairConstraint__set_from_binary(self, p)
11907 def __getstate__(self):
11908 p = self._get_as_binary()
11909 if len(self.__dict__) > 1:
11910 d = self.__dict__.copy()
11915 def __setstate__(self, p):
11916 if not hasattr(self,
'this'):
11918 if isinstance(p, tuple):
11920 self.__dict__.update(d)
11921 return self._set_from_binary(p)
11925 _IMP_core.PairConstraint_swigregister(PairConstraint)
11927 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11931 def __init__(self, *args):
11933 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11934 __init__(TripletConstraint self) -> TripletConstraint
11936 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11938 def get_before_modifier(self):
11939 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11940 return _IMP_core.TripletConstraint_get_before_modifier(self)
11943 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11944 return _IMP_core.TripletConstraint_get_index(self)
11946 def get_version_info(self):
11947 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11948 return _IMP_core.TripletConstraint_get_version_info(self)
11949 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11952 r"""__str__(TripletConstraint self) -> std::string"""
11953 return _IMP_core.TripletConstraint___str__(self)
11955 def __repr__(self):
11956 r"""__repr__(TripletConstraint self) -> std::string"""
11957 return _IMP_core.TripletConstraint___repr__(self)
11961 return _object_cast_to_TripletConstraint(o)
11964 def _get_as_binary(self):
11965 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11966 return _IMP_core.TripletConstraint__get_as_binary(self)
11968 def _set_from_binary(self, p):
11969 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11970 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11972 def __getstate__(self):
11973 p = self._get_as_binary()
11974 if len(self.__dict__) > 1:
11975 d = self.__dict__.copy()
11980 def __setstate__(self, p):
11981 if not hasattr(self,
'this'):
11983 if isinstance(p, tuple):
11985 self.__dict__.update(d)
11986 return self._set_from_binary(p)
11990 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11992 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11994 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11996 def __init__(self, *args):
11998 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11999 __init__(QuadConstraint self) -> QuadConstraint
12001 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12003 def get_before_modifier(self):
12004 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12005 return _IMP_core.QuadConstraint_get_before_modifier(self)
12008 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12009 return _IMP_core.QuadConstraint_get_index(self)
12011 def get_version_info(self):
12012 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12013 return _IMP_core.QuadConstraint_get_version_info(self)
12014 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12017 r"""__str__(QuadConstraint self) -> std::string"""
12018 return _IMP_core.QuadConstraint___str__(self)
12020 def __repr__(self):
12021 r"""__repr__(QuadConstraint self) -> std::string"""
12022 return _IMP_core.QuadConstraint___repr__(self)
12026 return _object_cast_to_QuadConstraint(o)
12029 def _get_as_binary(self):
12030 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12031 return _IMP_core.QuadConstraint__get_as_binary(self)
12033 def _set_from_binary(self, p):
12034 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12035 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12037 def __getstate__(self):
12038 p = self._get_as_binary()
12039 if len(self.__dict__) > 1:
12040 d = self.__dict__.copy()
12045 def __setstate__(self, p):
12046 if not hasattr(self,
'this'):
12048 if isinstance(p, tuple):
12050 self.__dict__.update(d)
12051 return self._set_from_binary(p)
12055 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12057 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12061 def __init__(self, *args):
12063 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12064 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12066 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12068 def do_get_inputs(self, arg2, arg3):
12069 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12070 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12072 def get_value(self, *args):
12074 get_value(ConstantSingletonPredicate self, Particle a) -> int
12075 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12077 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12079 def get_value_index(self, *args):
12081 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12082 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12084 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12086 def get_version_info(self):
12087 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12088 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12089 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12092 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12093 return _IMP_core.ConstantSingletonPredicate___str__(self)
12095 def __repr__(self):
12096 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12097 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12101 return _object_cast_to_ConstantSingletonPredicate(o)
12104 def _get_as_binary(self):
12105 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12106 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12108 def _set_from_binary(self, p):
12109 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12110 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12112 def __getstate__(self):
12113 p = self._get_as_binary()
12114 if len(self.__dict__) > 1:
12115 d = self.__dict__.copy()
12120 def __setstate__(self, p):
12121 if not hasattr(self,
'this'):
12123 if isinstance(p, tuple):
12125 self.__dict__.update(d)
12126 return self._set_from_binary(p)
12130 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12132 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12136 def __init__(self, *args):
12137 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12138 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12140 def do_get_inputs(self, m, pis):
12141 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12142 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12144 def get_value(self, *args):
12146 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12147 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12149 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12151 def get_value_index(self, *args):
12153 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12154 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12156 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12158 def get_version_info(self):
12159 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12160 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12161 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12164 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12165 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12167 def __repr__(self):
12168 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12169 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12173 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12176 def _get_as_binary(self):
12177 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12178 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12180 def _set_from_binary(self, p):
12181 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12182 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12184 def __getstate__(self):
12185 p = self._get_as_binary()
12186 if len(self.__dict__) > 1:
12187 d = self.__dict__.copy()
12192 def __setstate__(self, p):
12193 if not hasattr(self,
'this'):
12195 if isinstance(p, tuple):
12197 self.__dict__.update(d)
12198 return self._set_from_binary(p)
12202 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12204 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12206 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12208 def __init__(self, *args):
12209 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12210 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12212 def do_get_inputs(self, m, pis):
12213 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12214 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12216 def get_value(self, *args):
12218 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12219 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12220 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12222 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12224 def get_value_index(self, *args):
12226 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12227 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12229 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12231 def get_version_info(self):
12232 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12233 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12234 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12237 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12238 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12240 def __repr__(self):
12241 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12242 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12246 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12250 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12252 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12256 def __init__(self, *args):
12257 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12258 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12260 def do_get_inputs(self, arg2, arg3):
12261 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12262 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12264 def get_value(self, *args):
12266 get_value(AllSameSingletonPredicate self, Particle a) -> int
12267 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12269 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12271 def get_value_index(self, *args):
12273 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12274 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12276 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12278 def get_version_info(self):
12279 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12280 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12281 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12284 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12285 return _IMP_core.AllSameSingletonPredicate___str__(self)
12287 def __repr__(self):
12288 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12289 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12293 return _object_cast_to_AllSameSingletonPredicate(o)
12296 def _get_as_binary(self):
12297 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12298 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12300 def _set_from_binary(self, p):
12301 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12302 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12304 def __getstate__(self):
12305 p = self._get_as_binary()
12306 if len(self.__dict__) > 1:
12307 d = self.__dict__.copy()
12312 def __setstate__(self, p):
12313 if not hasattr(self,
'this'):
12315 if isinstance(p, tuple):
12317 self.__dict__.update(d)
12318 return self._set_from_binary(p)
12322 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12324 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12328 def __init__(self, *args):
12329 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12330 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12332 def do_get_inputs(self, arg2, arg3):
12333 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12334 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12336 def get_value(self, *args):
12338 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12339 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12341 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12343 def get_value_index(self, *args):
12345 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12346 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12348 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12350 def get_version_info(self):
12351 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12352 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12353 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12356 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12357 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12359 def __repr__(self):
12360 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12361 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12365 return _object_cast_to_CoinFlipSingletonPredicate(o)
12369 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12371 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12373 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12375 def __init__(self, *args):
12377 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12378 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12380 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12382 def do_get_inputs(self, arg2, arg3):
12383 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12384 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12386 def get_value(self, *args):
12388 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12389 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12391 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12393 def get_value_index(self, *args):
12395 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12396 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12398 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12400 def get_version_info(self):
12401 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12402 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12403 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12406 r"""__str__(ConstantPairPredicate self) -> std::string"""
12407 return _IMP_core.ConstantPairPredicate___str__(self)
12409 def __repr__(self):
12410 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12411 return _IMP_core.ConstantPairPredicate___repr__(self)
12415 return _object_cast_to_ConstantPairPredicate(o)
12418 def _get_as_binary(self):
12419 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12420 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12422 def _set_from_binary(self, p):
12423 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12424 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12426 def __getstate__(self):
12427 p = self._get_as_binary()
12428 if len(self.__dict__) > 1:
12429 d = self.__dict__.copy()
12434 def __setstate__(self, p):
12435 if not hasattr(self,
'this'):
12437 if isinstance(p, tuple):
12439 self.__dict__.update(d)
12440 return self._set_from_binary(p)
12444 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12446 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12448 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12450 def __init__(self, *args):
12451 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12452 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12454 def do_get_inputs(self, m, pis):
12455 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12456 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12458 def get_value(self, *args):
12460 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12461 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12463 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12465 def get_value_index(self, *args):
12467 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12468 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12470 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12472 def get_version_info(self):
12473 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12474 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12475 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12478 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12479 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12481 def __repr__(self):
12482 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12483 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12487 return _object_cast_to_UnorderedTypePairPredicate(o)
12490 def _get_as_binary(self):
12491 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12492 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12494 def _set_from_binary(self, p):
12495 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12496 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12498 def __getstate__(self):
12499 p = self._get_as_binary()
12500 if len(self.__dict__) > 1:
12501 d = self.__dict__.copy()
12506 def __setstate__(self, p):
12507 if not hasattr(self,
'this'):
12509 if isinstance(p, tuple):
12511 self.__dict__.update(d)
12512 return self._set_from_binary(p)
12516 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12518 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12522 def __init__(self, *args):
12523 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12524 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12526 def do_get_inputs(self, m, pis):
12527 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12528 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12530 def get_value(self, *args):
12532 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12533 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12534 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12536 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12538 def get_value_index(self, *args):
12540 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12541 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12543 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12545 def get_version_info(self):
12546 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12547 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12548 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12551 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12552 return _IMP_core.OrderedTypePairPredicate___str__(self)
12554 def __repr__(self):
12555 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12556 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12560 return _object_cast_to_OrderedTypePairPredicate(o)
12564 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12566 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12570 def __init__(self, *args):
12571 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12572 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12574 def do_get_inputs(self, arg2, arg3):
12575 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12576 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12578 def get_value(self, *args):
12580 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12581 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12583 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12585 def get_value_index(self, *args):
12587 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12588 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12590 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12592 def get_version_info(self):
12593 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12594 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12595 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12598 r"""__str__(AllSamePairPredicate self) -> std::string"""
12599 return _IMP_core.AllSamePairPredicate___str__(self)
12601 def __repr__(self):
12602 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12603 return _IMP_core.AllSamePairPredicate___repr__(self)
12607 return _object_cast_to_AllSamePairPredicate(o)
12610 def _get_as_binary(self):
12611 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12612 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12614 def _set_from_binary(self, p):
12615 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12616 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12618 def __getstate__(self):
12619 p = self._get_as_binary()
12620 if len(self.__dict__) > 1:
12621 d = self.__dict__.copy()
12626 def __setstate__(self, p):
12627 if not hasattr(self,
'this'):
12629 if isinstance(p, tuple):
12631 self.__dict__.update(d)
12632 return self._set_from_binary(p)
12636 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12638 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12640 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12642 def __init__(self, *args):
12643 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12644 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12646 def do_get_inputs(self, arg2, arg3):
12647 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12648 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12650 def get_value(self, *args):
12652 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12653 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12655 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12657 def get_value_index(self, *args):
12659 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12660 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12662 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12664 def get_version_info(self):
12665 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12666 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12667 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12670 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12671 return _IMP_core.CoinFlipPairPredicate___str__(self)
12673 def __repr__(self):
12674 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12675 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12679 return _object_cast_to_CoinFlipPairPredicate(o)
12683 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12685 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12689 def __init__(self, *args):
12691 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12692 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12694 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12696 def do_get_inputs(self, arg2, arg3):
12697 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12698 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12700 def get_value(self, *args):
12702 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12703 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12705 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12707 def get_value_index(self, *args):
12709 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12710 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12712 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12714 def get_version_info(self):
12715 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12716 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12717 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12720 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12721 return _IMP_core.ConstantTripletPredicate___str__(self)
12723 def __repr__(self):
12724 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12725 return _IMP_core.ConstantTripletPredicate___repr__(self)
12729 return _object_cast_to_ConstantTripletPredicate(o)
12732 def _get_as_binary(self):
12733 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12734 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12736 def _set_from_binary(self, p):
12737 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12738 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12740 def __getstate__(self):
12741 p = self._get_as_binary()
12742 if len(self.__dict__) > 1:
12743 d = self.__dict__.copy()
12748 def __setstate__(self, p):
12749 if not hasattr(self,
'this'):
12751 if isinstance(p, tuple):
12753 self.__dict__.update(d)
12754 return self._set_from_binary(p)
12758 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12760 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12764 def __init__(self, *args):
12765 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12766 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12768 def do_get_inputs(self, m, pis):
12769 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12770 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12772 def get_value(self, *args):
12774 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12775 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12777 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12779 def get_value_index(self, *args):
12781 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12782 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12784 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12786 def get_version_info(self):
12787 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12788 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12789 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12792 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12793 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12795 def __repr__(self):
12796 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12797 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12801 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12804 def _get_as_binary(self):
12805 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12806 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12808 def _set_from_binary(self, p):
12809 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12810 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12812 def __getstate__(self):
12813 p = self._get_as_binary()
12814 if len(self.__dict__) > 1:
12815 d = self.__dict__.copy()
12820 def __setstate__(self, p):
12821 if not hasattr(self,
'this'):
12823 if isinstance(p, tuple):
12825 self.__dict__.update(d)
12826 return self._set_from_binary(p)
12830 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12832 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12836 def __init__(self, *args):
12837 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12838 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12840 def do_get_inputs(self, m, pis):
12841 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12842 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12844 def get_value(self, *args):
12846 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12847 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12848 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12850 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12852 def get_value_index(self, *args):
12854 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12855 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12857 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12859 def get_version_info(self):
12860 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12861 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12862 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12865 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12866 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12868 def __repr__(self):
12869 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12870 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12874 return _object_cast_to_OrderedTypeTripletPredicate(o)
12878 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12880 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12882 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12884 def __init__(self, *args):
12885 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12886 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12888 def do_get_inputs(self, arg2, arg3):
12889 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12890 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12892 def get_value(self, *args):
12894 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12895 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12897 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12899 def get_value_index(self, *args):
12901 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12902 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12904 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12906 def get_version_info(self):
12907 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12908 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12909 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12912 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12913 return _IMP_core.AllSameTripletPredicate___str__(self)
12915 def __repr__(self):
12916 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12917 return _IMP_core.AllSameTripletPredicate___repr__(self)
12921 return _object_cast_to_AllSameTripletPredicate(o)
12924 def _get_as_binary(self):
12925 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12926 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12928 def _set_from_binary(self, p):
12929 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12930 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12932 def __getstate__(self):
12933 p = self._get_as_binary()
12934 if len(self.__dict__) > 1:
12935 d = self.__dict__.copy()
12940 def __setstate__(self, p):
12941 if not hasattr(self,
'this'):
12943 if isinstance(p, tuple):
12945 self.__dict__.update(d)
12946 return self._set_from_binary(p)
12950 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12952 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12956 def __init__(self, *args):
12957 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12958 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12960 def do_get_inputs(self, arg2, arg3):
12961 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12962 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12964 def get_value(self, *args):
12966 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12967 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12969 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12971 def get_value_index(self, *args):
12973 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12974 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12976 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12978 def get_version_info(self):
12979 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12980 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12981 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12984 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12985 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12987 def __repr__(self):
12988 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12989 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12993 return _object_cast_to_CoinFlipTripletPredicate(o)
12997 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12999 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13001 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13003 def __init__(self, *args):
13005 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13006 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13008 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13010 def do_get_inputs(self, arg2, arg3):
13011 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13012 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13014 def get_value(self, *args):
13016 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13017 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13019 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13021 def get_value_index(self, *args):
13023 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13024 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13026 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13028 def get_version_info(self):
13029 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13030 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13031 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13034 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13035 return _IMP_core.ConstantQuadPredicate___str__(self)
13037 def __repr__(self):
13038 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13039 return _IMP_core.ConstantQuadPredicate___repr__(self)
13043 return _object_cast_to_ConstantQuadPredicate(o)
13046 def _get_as_binary(self):
13047 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13048 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13050 def _set_from_binary(self, p):
13051 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13052 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13054 def __getstate__(self):
13055 p = self._get_as_binary()
13056 if len(self.__dict__) > 1:
13057 d = self.__dict__.copy()
13062 def __setstate__(self, p):
13063 if not hasattr(self,
'this'):
13065 if isinstance(p, tuple):
13067 self.__dict__.update(d)
13068 return self._set_from_binary(p)
13072 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13074 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13076 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13078 def __init__(self, *args):
13079 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13080 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13082 def do_get_inputs(self, m, pis):
13083 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13084 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13086 def get_value(self, *args):
13088 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13089 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13091 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13093 def get_value_index(self, *args):
13095 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13096 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13098 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13100 def get_version_info(self):
13101 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13102 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13103 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13106 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13107 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13109 def __repr__(self):
13110 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13111 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13115 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13118 def _get_as_binary(self):
13119 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13120 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13122 def _set_from_binary(self, p):
13123 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13124 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13126 def __getstate__(self):
13127 p = self._get_as_binary()
13128 if len(self.__dict__) > 1:
13129 d = self.__dict__.copy()
13134 def __setstate__(self, p):
13135 if not hasattr(self,
'this'):
13137 if isinstance(p, tuple):
13139 self.__dict__.update(d)
13140 return self._set_from_binary(p)
13144 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13146 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13148 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13150 def __init__(self, *args):
13151 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13152 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13154 def do_get_inputs(self, m, pis):
13155 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13156 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13158 def get_value(self, *args):
13160 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13161 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13162 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13164 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13166 def get_value_index(self, *args):
13168 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13169 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13171 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13173 def get_version_info(self):
13174 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13175 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13176 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13179 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13180 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13182 def __repr__(self):
13183 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13184 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13188 return _object_cast_to_OrderedTypeQuadPredicate(o)
13192 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13194 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13198 def __init__(self, *args):
13199 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13200 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13202 def do_get_inputs(self, arg2, arg3):
13203 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13204 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13206 def get_value(self, *args):
13208 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13209 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13211 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13213 def get_value_index(self, *args):
13215 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13216 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13218 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13220 def get_version_info(self):
13221 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13222 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13223 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13226 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13227 return _IMP_core.AllSameQuadPredicate___str__(self)
13229 def __repr__(self):
13230 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13231 return _IMP_core.AllSameQuadPredicate___repr__(self)
13235 return _object_cast_to_AllSameQuadPredicate(o)
13238 def _get_as_binary(self):
13239 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13240 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13242 def _set_from_binary(self, p):
13243 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13244 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13246 def __getstate__(self):
13247 p = self._get_as_binary()
13248 if len(self.__dict__) > 1:
13249 d = self.__dict__.copy()
13254 def __setstate__(self, p):
13255 if not hasattr(self,
'this'):
13257 if isinstance(p, tuple):
13259 self.__dict__.update(d)
13260 return self._set_from_binary(p)
13264 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13266 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13268 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13270 def __init__(self, *args):
13271 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13272 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13274 def do_get_inputs(self, arg2, arg3):
13275 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13276 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13278 def get_value(self, *args):
13280 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13281 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13283 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13285 def get_value_index(self, *args):
13287 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13288 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13290 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13292 def get_version_info(self):
13293 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13294 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13295 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13298 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13299 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13301 def __repr__(self):
13302 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13303 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13307 return _object_cast_to_CoinFlipQuadPredicate(o)
13311 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13313 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13315 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13317 def __init__(self, *args):
13318 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13319 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13321 def do_get_inputs(self, m, pi):
13322 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13323 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13325 def get_value(self, *args):
13327 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13328 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13330 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13332 def get_value_index(self, *args):
13334 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13335 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13337 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13339 def get_version_info(self):
13340 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13341 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13342 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13345 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13346 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13348 def __repr__(self):
13349 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13350 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13354 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13358 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13360 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13364 def __init__(self, *args):
13365 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13366 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13368 def do_get_inputs(self, m, pi):
13369 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13370 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13372 def get_value(self, *args):
13374 get_value(AttributeSingletonPredicate self, Particle a) -> int
13375 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13377 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13379 def get_value_index(self, *args):
13381 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13382 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13384 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13386 def get_version_info(self):
13387 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13388 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13389 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13392 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13393 return _IMP_core.AttributeSingletonPredicate___str__(self)
13395 def __repr__(self):
13396 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13397 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13401 return _object_cast_to_AttributeSingletonPredicate(o)
13405 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13407 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13409 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13411 def __init__(self, *args):
13412 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13413 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13415 def do_get_inputs(self, m, pi):
13416 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13417 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13419 def get_value(self, *args):
13421 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13422 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13424 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13426 def get_value_index(self, *args):
13428 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13429 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13431 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13433 def get_version_info(self):
13434 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13435 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13436 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13439 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13440 return _IMP_core.IsCollisionPairPredicate___str__(self)
13442 def __repr__(self):
13443 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13444 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13448 return _object_cast_to_IsCollisionPairPredicate(o)
13452 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13453 class AngleRestraint(TripletRestraint):
13454 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13456 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13458 def __init__(self, *args):
13460 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13461 __init__(AngleRestraint self) -> AngleRestraint
13463 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13464 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13467 r"""__str__(AngleRestraint self) -> std::string"""
13468 return _IMP_core.AngleRestraint___str__(self)
13470 def __repr__(self):
13471 r"""__repr__(AngleRestraint self) -> std::string"""
13472 return _IMP_core.AngleRestraint___repr__(self)
13476 return _object_cast_to_AngleRestraint(o)
13479 def _get_as_binary(self):
13480 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13481 return _IMP_core.AngleRestraint__get_as_binary(self)
13483 def _set_from_binary(self, p):
13484 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13485 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13487 def __getstate__(self):
13488 p = self._get_as_binary()
13489 if len(self.__dict__) > 1:
13490 d = self.__dict__.copy()
13495 def __setstate__(self, p):
13496 if not hasattr(self,
'this'):
13498 if isinstance(p, tuple):
13500 self.__dict__.update(d)
13501 return self._set_from_binary(p)
13505 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13506 class RigidBodyMover(MonteCarloMover):
13507 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13509 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13511 def __init__(self, *args):
13513 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13514 __init__(RigidBodyMover self) -> RigidBodyMover
13516 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13518 def set_maximum_translation(self, mt):
13519 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13520 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13522 def set_maximum_rotation(self, mr):
13523 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13524 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13526 def get_maximum_translation(self):
13527 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13528 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13530 def get_maximum_rotation(self):
13531 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13532 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13535 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13536 return _IMP_core.RigidBodyMover_get_index(self)
13538 def get_version_info(self):
13539 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13540 return _IMP_core.RigidBodyMover_get_version_info(self)
13541 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13544 r"""__str__(RigidBodyMover self) -> std::string"""
13545 return _IMP_core.RigidBodyMover___str__(self)
13547 def __repr__(self):
13548 r"""__repr__(RigidBodyMover self) -> std::string"""
13549 return _IMP_core.RigidBodyMover___repr__(self)
13553 return _object_cast_to_RigidBodyMover(o)
13556 def _get_as_binary(self):
13557 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13558 return _IMP_core.RigidBodyMover__get_as_binary(self)
13560 def _set_from_binary(self, p):
13561 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13562 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13564 def __getstate__(self):
13565 p = self._get_as_binary()
13566 if len(self.__dict__) > 1:
13567 d = self.__dict__.copy()
13572 def __setstate__(self, p):
13573 if not hasattr(self,
'this'):
13575 if isinstance(p, tuple):
13577 self.__dict__.update(d)
13578 return self._set_from_binary(p)
13581 def _get_jax(self):
13583 import IMP.core._jax_rigid
13584 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13585 get_random_vector_in_3d_sphere,
13586 get_rotation_about_normalized_axis,
13587 _quaternion_multiply)
13588 max_angle = self.get_maximum_rotation()
13589 max_translation = self.get_maximum_translation()
13590 particle_index = self.get_index()
13591 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13592 self.get_model(), self.get_index())
13594 def init_func(key):
13597 def propose_func(jm, key):
13598 body = jm[
'rigid_bodies'].bodies[body_index]
13599 tf = body.get_transformation(jm)
13601 if max_translation > 0:
13602 key, subkey = jax.random.split(key)
13603 tf.translation += get_random_vector_in_3d_sphere(
13604 subkey, max_translation)[0]
13606 key, subkey1, subkey2 = jax.random.split(key, 3)
13607 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13608 angle = jax.random.uniform(
13609 subkey2, minval=-max_angle, maxval=max_angle)
13611 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13612 jm = body.set_transformation_lazy(tf, jm)
13613 return jm, key, 1.0
13615 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13619 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13620 class RigidBodyTunneler(MonteCarloMover):
13621 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13623 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13625 def __init__(self, m, pis, ref, k, move_probability=1.):
13626 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13627 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13629 def add_entry_point(self, fl):
13630 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13631 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13633 def reset_stats(self):
13634 r"""reset_stats(RigidBodyTunneler self)"""
13635 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13637 def get_number_of_rejected_moves(self):
13638 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13639 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13641 def get_number_of_proposed_moves(self):
13642 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13643 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13645 def get_number_of_impossible_moves(self):
13646 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13647 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13649 def get_number_of_calls(self):
13650 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13651 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13654 def get_reduced_coordinates(*args):
13656 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13657 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13659 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13662 def set_reduced_coordinates(m, target, ref, coords):
13663 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13664 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13666 def get_version_info(self):
13667 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13668 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13669 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13672 r"""__str__(RigidBodyTunneler self) -> std::string"""
13673 return _IMP_core.RigidBodyTunneler___str__(self)
13675 def __repr__(self):
13676 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13677 return _IMP_core.RigidBodyTunneler___repr__(self)
13681 return _object_cast_to_RigidBodyTunneler(o)
13685 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13687 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13689 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13691 def __init__(self, *args):
13693 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13694 __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
13696 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13698 def set_x0(self, *args):
13700 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13701 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13703 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13706 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13707 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13710 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13711 return _IMP_core.RigidBodyUmbrella_get_x(self)
13713 def set_alpha(self, alpha):
13714 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13715 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13717 def set_k(self, k):
13718 r"""set_k(RigidBodyUmbrella self, double k)"""
13719 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13721 def get_version_info(self):
13722 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13723 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13724 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13727 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13728 return _IMP_core.RigidBodyUmbrella___str__(self)
13730 def __repr__(self):
13731 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13732 return _IMP_core.RigidBodyUmbrella___repr__(self)
13736 return _object_cast_to_RigidBodyUmbrella(o)
13740 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13742 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13744 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13746 def __init__(self, f, sc, volume):
13747 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13748 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13750 def do_get_inputs(self):
13751 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13752 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13754 def get_version_info(self):
13755 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13756 return _IMP_core.VolumeRestraint_get_version_info(self)
13757 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13760 r"""__str__(VolumeRestraint self) -> std::string"""
13761 return _IMP_core.VolumeRestraint___str__(self)
13763 def __repr__(self):
13764 r"""__repr__(VolumeRestraint self) -> std::string"""
13765 return _IMP_core.VolumeRestraint___repr__(self)
13769 return _object_cast_to_VolumeRestraint(o)
13773 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13776 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13777 return _IMP_core.get_centroid(ps)
13780 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13781 return _IMP_core.get_bounding_box(ps)
13783 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13785 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13787 def __init__(self, ps):
13788 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13789 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13791 def show_statistics(self, *args):
13792 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13793 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13796 r"""reset(MoveStatisticsScoreState self)"""
13797 return _IMP_core.MoveStatisticsScoreState_reset(self)
13799 def do_before_evaluate(self):
13800 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13801 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13803 def do_after_evaluate(self, da):
13804 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13805 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13807 def do_get_inputs(self):
13808 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13809 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13811 def do_get_outputs(self):
13812 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13813 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13815 def get_version_info(self):
13816 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13817 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13818 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13821 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13822 return _IMP_core.MoveStatisticsScoreState___str__(self)
13824 def __repr__(self):
13825 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13826 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13830 return _object_cast_to_MoveStatisticsScoreState(o)
13834 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13835 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13838 r"""Proxy of C++ IMP::core::Typed class."""
13840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13843 def get_type_key():
13844 r"""get_type_key() -> IntKey"""
13845 return _IMP_core.Typed_get_type_key()
13847 def __init__(self, *args):
13849 __init__(Typed self) -> Typed
13850 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13851 __init__(Typed self, _ParticleAdaptor d) -> Typed
13853 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13855 def show(self, *args):
13856 r"""show(Typed self, _ostream out=std::cout)"""
13857 return _IMP_core.Typed_show(self, *args)
13860 def setup_particle(*args):
13862 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13863 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13865 return _IMP_core.Typed_setup_particle(*args)
13868 def get_is_setup(*args):
13870 get_is_setup(_ParticleAdaptor p) -> bool
13871 get_is_setup(Model m, ParticleIndex pi) -> bool
13873 return _IMP_core.Typed_get_is_setup(*args)
13875 def get_type(self):
13876 r"""get_type(Typed self) -> ParticleType"""
13877 return _IMP_core.Typed_get_type(self)
13879 def set_type(self, pt):
13880 r"""set_type(Typed self, ParticleType pt)"""
13881 return _IMP_core.Typed_set_type(self, pt)
13883 def add_attribute(self, *args):
13885 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13886 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13887 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13888 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13889 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13890 add_attribute(Typed self, StringKey a0, IMP::String a1)
13891 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13892 add_attribute(Typed self, ObjectKey a0, Object a1)
13893 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13894 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13895 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13896 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13898 return _IMP_core.Typed_add_attribute(self, *args)
13900 def get_value(self, *args):
13902 get_value(Typed self, FloatKey a0) -> IMP::Float
13903 get_value(Typed self, IntKey a0) -> IMP::Int
13904 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13905 get_value(Typed self, IntsKey a0) -> IMP::Ints
13906 get_value(Typed self, StringKey a0) -> IMP::String
13907 get_value(Typed self, ParticleIndexKey a0) -> Particle
13908 get_value(Typed self, ObjectKey a0) -> Object
13909 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13910 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13911 get_value(Typed self, SparseStringKey a0) -> IMP::String
13912 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13914 return _IMP_core.Typed_get_value(self, *args)
13916 def set_value(self, *args):
13918 set_value(Typed self, FloatKey a0, IMP::Float a1)
13919 set_value(Typed self, IntKey a0, IMP::Int a1)
13920 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13921 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13922 set_value(Typed self, StringKey a0, IMP::String a1)
13923 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13924 set_value(Typed self, ObjectKey a0, Object a1)
13925 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13926 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13927 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13928 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13930 return _IMP_core.Typed_set_value(self, *args)
13932 def remove_attribute(self, *args):
13934 remove_attribute(Typed self, FloatKey a0)
13935 remove_attribute(Typed self, IntKey a0)
13936 remove_attribute(Typed self, FloatsKey a0)
13937 remove_attribute(Typed self, IntsKey a0)
13938 remove_attribute(Typed self, StringKey a0)
13939 remove_attribute(Typed self, ParticleIndexKey a0)
13940 remove_attribute(Typed self, ObjectKey a0)
13941 remove_attribute(Typed self, SparseFloatKey a0)
13942 remove_attribute(Typed self, SparseIntKey a0)
13943 remove_attribute(Typed self, SparseStringKey a0)
13944 remove_attribute(Typed self, SparseParticleIndexKey a0)
13946 return _IMP_core.Typed_remove_attribute(self, *args)
13948 def has_attribute(self, *args):
13950 has_attribute(Typed self, FloatKey a0) -> bool
13951 has_attribute(Typed self, IntKey a0) -> bool
13952 has_attribute(Typed self, FloatsKey a0) -> bool
13953 has_attribute(Typed self, IntsKey a0) -> bool
13954 has_attribute(Typed self, StringKey a0) -> bool
13955 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13956 has_attribute(Typed self, ObjectKey a0) -> bool
13957 has_attribute(Typed self, SparseFloatKey a0) -> bool
13958 has_attribute(Typed self, SparseIntKey a0) -> bool
13959 has_attribute(Typed self, SparseStringKey a0) -> bool
13960 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13962 return _IMP_core.Typed_has_attribute(self, *args)
13964 def get_derivative(self, a0):
13965 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13966 return _IMP_core.Typed_get_derivative(self, a0)
13968 def get_name(self):
13969 r"""get_name(Typed self) -> std::string"""
13970 return _IMP_core.Typed_get_name(self)
13972 def clear_caches(self):
13973 r"""clear_caches(Typed self)"""
13974 return _IMP_core.Typed_clear_caches(self)
13976 def set_name(self, a0):
13977 r"""set_name(Typed self, std::string a0)"""
13978 return _IMP_core.Typed_set_name(self, a0)
13981 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13982 return _IMP_core.Typed_set_check_level(self, a0)
13984 def add_to_derivative(self, a0, a1, a2):
13985 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13986 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13988 def set_is_optimized(self, a0, a1):
13989 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13990 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13992 def get_is_optimized(self, a0):
13993 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13994 return _IMP_core.Typed_get_is_optimized(self, a0)
13997 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13998 return _IMP_core.Typed_get_check_level(self)
14000 def __eq__(self, *args):
14002 __eq__(Typed self, Typed o) -> bool
14003 __eq__(Typed self, Particle d) -> bool
14005 return _IMP_core.Typed___eq__(self, *args)
14007 def __ne__(self, *args):
14009 __ne__(Typed self, Typed o) -> bool
14010 __ne__(Typed self, Particle d) -> bool
14012 return _IMP_core.Typed___ne__(self, *args)
14014 def __le__(self, *args):
14016 __le__(Typed self, Typed o) -> bool
14017 __le__(Typed self, Particle d) -> bool
14019 return _IMP_core.Typed___le__(self, *args)
14021 def __lt__(self, *args):
14023 __lt__(Typed self, Typed o) -> bool
14024 __lt__(Typed self, Particle d) -> bool
14026 return _IMP_core.Typed___lt__(self, *args)
14028 def __ge__(self, *args):
14030 __ge__(Typed self, Typed o) -> bool
14031 __ge__(Typed self, Particle d) -> bool
14033 return _IMP_core.Typed___ge__(self, *args)
14035 def __gt__(self, *args):
14037 __gt__(Typed self, Typed o) -> bool
14038 __gt__(Typed self, Particle d) -> bool
14040 return _IMP_core.Typed___gt__(self, *args)
14042 def __hash__(self):
14043 r"""__hash__(Typed self) -> std::size_t"""
14044 return _IMP_core.Typed___hash__(self)
14047 r"""__str__(Typed self) -> std::string"""
14048 return _IMP_core.Typed___str__(self)
14050 def __repr__(self):
14051 r"""__repr__(Typed self) -> std::string"""
14052 return _IMP_core.Typed___repr__(self)
14054 def _get_as_binary(self):
14055 r"""_get_as_binary(Typed self) -> PyObject *"""
14056 return _IMP_core.Typed__get_as_binary(self)
14058 def _set_from_binary(self, p):
14059 r"""_set_from_binary(Typed self, PyObject * p)"""
14060 return _IMP_core.Typed__set_from_binary(self, p)
14062 def __getstate__(self):
14063 p = self._get_as_binary()
14064 if len(self.__dict__) > 1:
14065 d = self.__dict__.copy()
14070 def __setstate__(self, p):
14071 if not hasattr(self,
'this'):
14073 if isinstance(p, tuple):
14075 self.__dict__.update(d)
14076 return self._set_from_binary(p)
14078 __swig_destroy__ = _IMP_core.delete_Typed
14081 _IMP_core.Typed_swigregister(Typed)
14083 def __lshift__(*args):
14085 __lshift__(_ostream out, XYZ n) -> _ostream
14086 __lshift__(_ostream out, XYZR n) -> _ostream
14087 __lshift__(_ostream out, Direction n) -> _ostream
14088 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14089 __lshift__(_ostream out, Surface n) -> _ostream
14090 __lshift__(_ostream out, Centroid n) -> _ostream
14091 __lshift__(_ostream out, Cover n) -> _ostream
14092 __lshift__(_ostream out, Reference n) -> _ostream
14093 __lshift__(_ostream out, RigidMember n) -> _ostream
14094 __lshift__(_ostream out, RigidBody n) -> _ostream
14095 __lshift__(_ostream out, Gaussian n) -> _ostream
14096 __lshift__(_ostream out, Typed n) -> _ostream
14098 return _IMP_core.__lshift__(*args)
14100 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14102 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14104 def __init__(self, rs, out):
14105 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14106 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14108 def get_version_info(self):
14109 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14110 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14111 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14114 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14115 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14117 def __repr__(self):
14118 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14119 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14123 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14127 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14130 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14131 return _IMP_core.assign_blame(rs, ps, attribute)
14134 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14135 return _IMP_core.create_blame_geometries(*args)
14137 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14141 def __init__(self, m, q1, q2):
14142 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14143 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14145 def add_term(self, term):
14146 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14147 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14149 def do_get_inputs(self):
14150 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14151 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14153 def get_version_info(self):
14154 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14155 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14156 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14159 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14160 return _IMP_core.MultipleBinormalRestraint___str__(self)
14162 def __repr__(self):
14163 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14164 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14168 return _object_cast_to_MultipleBinormalRestraint(o)
14172 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14173 class BinormalTerm(object):
14174 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14178 def __init__(self):
14179 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14180 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14182 def set_correlation(self, correlation):
14183 r"""set_correlation(BinormalTerm self, double correlation)"""
14184 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14186 def set_weight(self, weight):
14187 r"""set_weight(BinormalTerm self, double weight)"""
14188 return _IMP_core.BinormalTerm_set_weight(self, weight)
14190 def set_means(self, means):
14191 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14192 return _IMP_core.BinormalTerm_set_means(self, means)
14194 def set_standard_deviations(self, stdevs):
14195 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14196 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14198 def show(self, *args):
14199 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14200 return _IMP_core.BinormalTerm_show(self, *args)
14203 r"""__str__(BinormalTerm self) -> std::string"""
14204 return _IMP_core.BinormalTerm___str__(self)
14206 def __repr__(self):
14207 r"""__repr__(BinormalTerm self) -> std::string"""
14208 return _IMP_core.BinormalTerm___repr__(self)
14210 def _get_as_binary(self):
14211 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14212 return _IMP_core.BinormalTerm__get_as_binary(self)
14214 def _set_from_binary(self, p):
14215 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14216 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14218 def __getstate__(self):
14219 p = self._get_as_binary()
14220 if len(self.__dict__) > 1:
14221 d = self.__dict__.copy()
14226 def __setstate__(self, p):
14227 if not hasattr(self,
'this'):
14229 if isinstance(p, tuple):
14231 self.__dict__.update(d)
14232 return self._set_from_binary(p)
14234 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14237 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14239 r"""Proxy of C++ IMP::core::Provenance class."""
14241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14243 def get_previous(self):
14244 r"""get_previous(Provenance self) -> Provenance"""
14245 return _IMP_core.Provenance_get_previous(self)
14247 def set_previous(self, p):
14248 r"""set_previous(Provenance self, Provenance p)"""
14249 return _IMP_core.Provenance_set_previous(self, p)
14251 def __init__(self, *args):
14253 __init__(Provenance self) -> Provenance
14254 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14255 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14257 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14260 def get_is_setup(*args):
14262 get_is_setup(Model m, ParticleIndex pi) -> bool
14263 get_is_setup(_ParticleAdaptor p) -> bool
14265 return _IMP_core.Provenance_get_is_setup(*args)
14267 def show(self, *args):
14268 r"""show(Provenance self, _ostream out=std::cout)"""
14269 return _IMP_core.Provenance_show(self, *args)
14272 def setup_particle(*args):
14274 setup_particle(Model m, ParticleIndex pi) -> Provenance
14275 setup_particle(_ParticleAdaptor pa) -> Provenance
14277 return _IMP_core.Provenance_setup_particle(*args)
14279 def add_attribute(self, *args):
14281 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14282 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14283 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14284 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14285 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14286 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14287 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14288 add_attribute(Provenance self, ObjectKey a0, Object a1)
14289 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14290 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14291 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14292 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14294 return _IMP_core.Provenance_add_attribute(self, *args)
14296 def get_value(self, *args):
14298 get_value(Provenance self, FloatKey a0) -> IMP::Float
14299 get_value(Provenance self, IntKey a0) -> IMP::Int
14300 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14301 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14302 get_value(Provenance self, StringKey a0) -> IMP::String
14303 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14304 get_value(Provenance self, ObjectKey a0) -> Object
14305 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14306 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14307 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14308 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14310 return _IMP_core.Provenance_get_value(self, *args)
14312 def set_value(self, *args):
14314 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14315 set_value(Provenance self, IntKey a0, IMP::Int a1)
14316 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14317 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14318 set_value(Provenance self, StringKey a0, IMP::String a1)
14319 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14320 set_value(Provenance self, ObjectKey a0, Object a1)
14321 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14322 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14323 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14324 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14326 return _IMP_core.Provenance_set_value(self, *args)
14328 def remove_attribute(self, *args):
14330 remove_attribute(Provenance self, FloatKey a0)
14331 remove_attribute(Provenance self, IntKey a0)
14332 remove_attribute(Provenance self, FloatsKey a0)
14333 remove_attribute(Provenance self, IntsKey a0)
14334 remove_attribute(Provenance self, StringKey a0)
14335 remove_attribute(Provenance self, ParticleIndexKey a0)
14336 remove_attribute(Provenance self, ObjectKey a0)
14337 remove_attribute(Provenance self, SparseFloatKey a0)
14338 remove_attribute(Provenance self, SparseIntKey a0)
14339 remove_attribute(Provenance self, SparseStringKey a0)
14340 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14342 return _IMP_core.Provenance_remove_attribute(self, *args)
14344 def has_attribute(self, *args):
14346 has_attribute(Provenance self, FloatKey a0) -> bool
14347 has_attribute(Provenance self, IntKey a0) -> bool
14348 has_attribute(Provenance self, FloatsKey a0) -> bool
14349 has_attribute(Provenance self, IntsKey a0) -> bool
14350 has_attribute(Provenance self, StringKey a0) -> bool
14351 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14352 has_attribute(Provenance self, ObjectKey a0) -> bool
14353 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14354 has_attribute(Provenance self, SparseIntKey a0) -> bool
14355 has_attribute(Provenance self, SparseStringKey a0) -> bool
14356 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14358 return _IMP_core.Provenance_has_attribute(self, *args)
14360 def get_derivative(self, a0):
14361 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14362 return _IMP_core.Provenance_get_derivative(self, a0)
14364 def get_name(self):
14365 r"""get_name(Provenance self) -> std::string"""
14366 return _IMP_core.Provenance_get_name(self)
14368 def clear_caches(self):
14369 r"""clear_caches(Provenance self)"""
14370 return _IMP_core.Provenance_clear_caches(self)
14372 def set_name(self, a0):
14373 r"""set_name(Provenance self, std::string a0)"""
14374 return _IMP_core.Provenance_set_name(self, a0)
14377 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14378 return _IMP_core.Provenance_set_check_level(self, a0)
14380 def add_to_derivative(self, a0, a1, a2):
14381 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14382 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14384 def set_is_optimized(self, a0, a1):
14385 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14386 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14388 def get_is_optimized(self, a0):
14389 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14390 return _IMP_core.Provenance_get_is_optimized(self, a0)
14393 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14394 return _IMP_core.Provenance_get_check_level(self)
14396 def __eq__(self, *args):
14398 __eq__(Provenance self, Provenance o) -> bool
14399 __eq__(Provenance self, Particle d) -> bool
14401 return _IMP_core.Provenance___eq__(self, *args)
14403 def __ne__(self, *args):
14405 __ne__(Provenance self, Provenance o) -> bool
14406 __ne__(Provenance self, Particle d) -> bool
14408 return _IMP_core.Provenance___ne__(self, *args)
14410 def __le__(self, *args):
14412 __le__(Provenance self, Provenance o) -> bool
14413 __le__(Provenance self, Particle d) -> bool
14415 return _IMP_core.Provenance___le__(self, *args)
14417 def __lt__(self, *args):
14419 __lt__(Provenance self, Provenance o) -> bool
14420 __lt__(Provenance self, Particle d) -> bool
14422 return _IMP_core.Provenance___lt__(self, *args)
14424 def __ge__(self, *args):
14426 __ge__(Provenance self, Provenance o) -> bool
14427 __ge__(Provenance self, Particle d) -> bool
14429 return _IMP_core.Provenance___ge__(self, *args)
14431 def __gt__(self, *args):
14433 __gt__(Provenance self, Provenance o) -> bool
14434 __gt__(Provenance self, Particle d) -> bool
14436 return _IMP_core.Provenance___gt__(self, *args)
14438 def __hash__(self):
14439 r"""__hash__(Provenance self) -> std::size_t"""
14440 return _IMP_core.Provenance___hash__(self)
14443 r"""__str__(Provenance self) -> std::string"""
14444 return _IMP_core.Provenance___str__(self)
14446 def __repr__(self):
14447 r"""__repr__(Provenance self) -> std::string"""
14448 return _IMP_core.Provenance___repr__(self)
14450 def _get_as_binary(self):
14451 r"""_get_as_binary(Provenance self) -> PyObject *"""
14452 return _IMP_core.Provenance__get_as_binary(self)
14454 def _set_from_binary(self, p):
14455 r"""_set_from_binary(Provenance self, PyObject * p)"""
14456 return _IMP_core.Provenance__set_from_binary(self, p)
14458 def __getstate__(self):
14459 p = self._get_as_binary()
14460 if len(self.__dict__) > 1:
14461 d = self.__dict__.copy()
14466 def __setstate__(self, p):
14467 if not hasattr(self,
'this'):
14469 if isinstance(p, tuple):
14471 self.__dict__.update(d)
14472 return self._set_from_binary(p)
14474 __swig_destroy__ = _IMP_core.delete_Provenance
14477 _IMP_core.Provenance_swigregister(Provenance)
14478 class StructureProvenance(Provenance):
14479 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14481 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14483 def set_filename(self, filename):
14484 r"""set_filename(StructureProvenance self, std::string filename)"""
14485 return _IMP_core.StructureProvenance_set_filename(self, filename)
14487 def get_filename(self):
14488 r"""get_filename(StructureProvenance self) -> std::string"""
14489 return _IMP_core.StructureProvenance_get_filename(self)
14491 def set_chain_id(self, chain_id):
14492 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14493 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14496 r"""get_chain_id(StructureProvenance self) -> std::string"""
14497 return _IMP_core.StructureProvenance_get_chain_id(self)
14499 def set_residue_offset(self, residue_offset):
14500 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14501 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14503 def get_residue_offset(self):
14504 r"""get_residue_offset(StructureProvenance self) -> int"""
14505 return _IMP_core.StructureProvenance_get_residue_offset(self)
14507 def __init__(self, *args):
14509 __init__(StructureProvenance self) -> StructureProvenance
14510 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14511 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14513 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14516 def get_is_setup(*args):
14518 get_is_setup(Model m, ParticleIndex pi) -> bool
14519 get_is_setup(_ParticleAdaptor p) -> bool
14521 return _IMP_core.StructureProvenance_get_is_setup(*args)
14523 def show(self, *args):
14524 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14525 return _IMP_core.StructureProvenance_show(self, *args)
14528 def setup_particle(*args):
14530 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14531 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14532 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14533 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14534 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14535 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14537 return _IMP_core.StructureProvenance_setup_particle(*args)
14539 def add_attribute(self, *args):
14541 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14542 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14543 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14544 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14545 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14546 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14547 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14548 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14549 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14550 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14551 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14552 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14554 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14556 def get_value(self, *args):
14558 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14559 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14560 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14561 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14562 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14563 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14564 get_value(StructureProvenance self, ObjectKey a0) -> Object
14565 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14566 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14567 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14568 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14570 return _IMP_core.StructureProvenance_get_value(self, *args)
14572 def set_value(self, *args):
14574 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14575 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14576 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14577 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14578 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14579 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14580 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14581 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14582 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14583 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14584 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14586 return _IMP_core.StructureProvenance_set_value(self, *args)
14588 def remove_attribute(self, *args):
14590 remove_attribute(StructureProvenance self, FloatKey a0)
14591 remove_attribute(StructureProvenance self, IntKey a0)
14592 remove_attribute(StructureProvenance self, FloatsKey a0)
14593 remove_attribute(StructureProvenance self, IntsKey a0)
14594 remove_attribute(StructureProvenance self, StringKey a0)
14595 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14596 remove_attribute(StructureProvenance self, ObjectKey a0)
14597 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14598 remove_attribute(StructureProvenance self, SparseIntKey a0)
14599 remove_attribute(StructureProvenance self, SparseStringKey a0)
14600 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14602 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14604 def has_attribute(self, *args):
14606 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14607 has_attribute(StructureProvenance self, IntKey a0) -> bool
14608 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14609 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14610 has_attribute(StructureProvenance self, StringKey a0) -> bool
14611 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14612 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14613 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14614 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14615 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14616 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14618 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14620 def get_derivative(self, a0):
14621 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14622 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14624 def get_name(self):
14625 r"""get_name(StructureProvenance self) -> std::string"""
14626 return _IMP_core.StructureProvenance_get_name(self)
14628 def clear_caches(self):
14629 r"""clear_caches(StructureProvenance self)"""
14630 return _IMP_core.StructureProvenance_clear_caches(self)
14632 def set_name(self, a0):
14633 r"""set_name(StructureProvenance self, std::string a0)"""
14634 return _IMP_core.StructureProvenance_set_name(self, a0)
14637 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14638 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14640 def add_to_derivative(self, a0, a1, a2):
14641 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14642 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14644 def set_is_optimized(self, a0, a1):
14645 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14646 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14648 def get_is_optimized(self, a0):
14649 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14650 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14653 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14654 return _IMP_core.StructureProvenance_get_check_level(self)
14656 def __eq__(self, *args):
14658 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14659 __eq__(StructureProvenance self, Particle d) -> bool
14661 return _IMP_core.StructureProvenance___eq__(self, *args)
14663 def __ne__(self, *args):
14665 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14666 __ne__(StructureProvenance self, Particle d) -> bool
14668 return _IMP_core.StructureProvenance___ne__(self, *args)
14670 def __le__(self, *args):
14672 __le__(StructureProvenance self, StructureProvenance o) -> bool
14673 __le__(StructureProvenance self, Particle d) -> bool
14675 return _IMP_core.StructureProvenance___le__(self, *args)
14677 def __lt__(self, *args):
14679 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14680 __lt__(StructureProvenance self, Particle d) -> bool
14682 return _IMP_core.StructureProvenance___lt__(self, *args)
14684 def __ge__(self, *args):
14686 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14687 __ge__(StructureProvenance self, Particle d) -> bool
14689 return _IMP_core.StructureProvenance___ge__(self, *args)
14691 def __gt__(self, *args):
14693 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14694 __gt__(StructureProvenance self, Particle d) -> bool
14696 return _IMP_core.StructureProvenance___gt__(self, *args)
14698 def __hash__(self):
14699 r"""__hash__(StructureProvenance self) -> std::size_t"""
14700 return _IMP_core.StructureProvenance___hash__(self)
14703 r"""__str__(StructureProvenance self) -> std::string"""
14704 return _IMP_core.StructureProvenance___str__(self)
14706 def __repr__(self):
14707 r"""__repr__(StructureProvenance self) -> std::string"""
14708 return _IMP_core.StructureProvenance___repr__(self)
14710 def _get_as_binary(self):
14711 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14712 return _IMP_core.StructureProvenance__get_as_binary(self)
14714 def _set_from_binary(self, p):
14715 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14716 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14718 def __getstate__(self):
14719 p = self._get_as_binary()
14720 if len(self.__dict__) > 1:
14721 d = self.__dict__.copy()
14726 def __setstate__(self, p):
14727 if not hasattr(self,
'this'):
14729 if isinstance(p, tuple):
14731 self.__dict__.update(d)
14732 return self._set_from_binary(p)
14734 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14737 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14738 class SampleProvenance(Provenance):
14739 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14741 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14743 def set_method(self, method):
14744 r"""set_method(SampleProvenance self, std::string method)"""
14745 return _IMP_core.SampleProvenance_set_method(self, method)
14747 def get_method(self):
14748 r"""get_method(SampleProvenance self) -> std::string"""
14749 return _IMP_core.SampleProvenance_get_method(self)
14751 def set_number_of_frames(self, frames):
14752 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14753 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14756 r"""get_number_of_frames(SampleProvenance self) -> int"""
14757 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14759 def set_number_of_iterations(self, iterations):
14760 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14761 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14763 def get_number_of_iterations(self):
14764 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14765 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14767 def set_number_of_replicas(self, replicas):
14768 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14769 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14771 def get_number_of_replicas(self):
14772 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14773 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14775 def __init__(self, *args):
14777 __init__(SampleProvenance self) -> SampleProvenance
14778 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14779 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14781 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14784 def get_is_setup(*args):
14786 get_is_setup(Model m, ParticleIndex pi) -> bool
14787 get_is_setup(_ParticleAdaptor p) -> bool
14789 return _IMP_core.SampleProvenance_get_is_setup(*args)
14791 def show(self, *args):
14792 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14793 return _IMP_core.SampleProvenance_show(self, *args)
14796 def setup_particle(*args):
14798 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14799 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14800 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14801 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14802 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14803 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14805 return _IMP_core.SampleProvenance_setup_particle(*args)
14807 def add_attribute(self, *args):
14809 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14810 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14811 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14812 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14813 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14814 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14815 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14816 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14817 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14818 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14819 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14820 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14822 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14824 def get_value(self, *args):
14826 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14827 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14828 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14829 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14830 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14831 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14832 get_value(SampleProvenance self, ObjectKey a0) -> Object
14833 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14834 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14835 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14836 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14838 return _IMP_core.SampleProvenance_get_value(self, *args)
14840 def set_value(self, *args):
14842 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14843 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14844 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14845 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14846 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14847 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14848 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14849 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14850 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14851 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14852 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14854 return _IMP_core.SampleProvenance_set_value(self, *args)
14856 def remove_attribute(self, *args):
14858 remove_attribute(SampleProvenance self, FloatKey a0)
14859 remove_attribute(SampleProvenance self, IntKey a0)
14860 remove_attribute(SampleProvenance self, FloatsKey a0)
14861 remove_attribute(SampleProvenance self, IntsKey a0)
14862 remove_attribute(SampleProvenance self, StringKey a0)
14863 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14864 remove_attribute(SampleProvenance self, ObjectKey a0)
14865 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14866 remove_attribute(SampleProvenance self, SparseIntKey a0)
14867 remove_attribute(SampleProvenance self, SparseStringKey a0)
14868 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14870 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14872 def has_attribute(self, *args):
14874 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14875 has_attribute(SampleProvenance self, IntKey a0) -> bool
14876 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14877 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14878 has_attribute(SampleProvenance self, StringKey a0) -> bool
14879 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14880 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14881 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14882 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14883 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14884 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14886 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14888 def get_derivative(self, a0):
14889 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14890 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14892 def get_name(self):
14893 r"""get_name(SampleProvenance self) -> std::string"""
14894 return _IMP_core.SampleProvenance_get_name(self)
14896 def clear_caches(self):
14897 r"""clear_caches(SampleProvenance self)"""
14898 return _IMP_core.SampleProvenance_clear_caches(self)
14900 def set_name(self, a0):
14901 r"""set_name(SampleProvenance self, std::string a0)"""
14902 return _IMP_core.SampleProvenance_set_name(self, a0)
14905 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14906 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14908 def add_to_derivative(self, a0, a1, a2):
14909 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14910 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14912 def set_is_optimized(self, a0, a1):
14913 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14914 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14916 def get_is_optimized(self, a0):
14917 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14918 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14921 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14922 return _IMP_core.SampleProvenance_get_check_level(self)
14924 def __eq__(self, *args):
14926 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14927 __eq__(SampleProvenance self, Particle d) -> bool
14929 return _IMP_core.SampleProvenance___eq__(self, *args)
14931 def __ne__(self, *args):
14933 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14934 __ne__(SampleProvenance self, Particle d) -> bool
14936 return _IMP_core.SampleProvenance___ne__(self, *args)
14938 def __le__(self, *args):
14940 __le__(SampleProvenance self, SampleProvenance o) -> bool
14941 __le__(SampleProvenance self, Particle d) -> bool
14943 return _IMP_core.SampleProvenance___le__(self, *args)
14945 def __lt__(self, *args):
14947 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14948 __lt__(SampleProvenance self, Particle d) -> bool
14950 return _IMP_core.SampleProvenance___lt__(self, *args)
14952 def __ge__(self, *args):
14954 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14955 __ge__(SampleProvenance self, Particle d) -> bool
14957 return _IMP_core.SampleProvenance___ge__(self, *args)
14959 def __gt__(self, *args):
14961 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14962 __gt__(SampleProvenance self, Particle d) -> bool
14964 return _IMP_core.SampleProvenance___gt__(self, *args)
14966 def __hash__(self):
14967 r"""__hash__(SampleProvenance self) -> std::size_t"""
14968 return _IMP_core.SampleProvenance___hash__(self)
14971 r"""__str__(SampleProvenance self) -> std::string"""
14972 return _IMP_core.SampleProvenance___str__(self)
14974 def __repr__(self):
14975 r"""__repr__(SampleProvenance self) -> std::string"""
14976 return _IMP_core.SampleProvenance___repr__(self)
14978 def _get_as_binary(self):
14979 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14980 return _IMP_core.SampleProvenance__get_as_binary(self)
14982 def _set_from_binary(self, p):
14983 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14984 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14986 def __getstate__(self):
14987 p = self._get_as_binary()
14988 if len(self.__dict__) > 1:
14989 d = self.__dict__.copy()
14994 def __setstate__(self, p):
14995 if not hasattr(self,
'this'):
14997 if isinstance(p, tuple):
14999 self.__dict__.update(d)
15000 return self._set_from_binary(p)
15002 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15005 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15006 class CombineProvenance(Provenance):
15007 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15011 def set_number_of_frames(self, frames):
15012 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15013 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15016 r"""get_number_of_frames(CombineProvenance self) -> int"""
15017 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15019 def set_number_of_runs(self, runs):
15020 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15021 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15023 def get_number_of_runs(self):
15024 r"""get_number_of_runs(CombineProvenance self) -> int"""
15025 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15027 def __init__(self, *args):
15029 __init__(CombineProvenance self) -> CombineProvenance
15030 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15031 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15033 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15036 def get_is_setup(*args):
15038 get_is_setup(Model m, ParticleIndex pi) -> bool
15039 get_is_setup(_ParticleAdaptor p) -> bool
15041 return _IMP_core.CombineProvenance_get_is_setup(*args)
15043 def show(self, *args):
15044 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15045 return _IMP_core.CombineProvenance_show(self, *args)
15048 def setup_particle(*args):
15050 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15051 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15052 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15053 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15055 return _IMP_core.CombineProvenance_setup_particle(*args)
15057 def add_attribute(self, *args):
15059 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15060 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15061 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15062 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15063 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15064 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15065 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15066 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15067 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15068 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15069 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15070 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15072 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15074 def get_value(self, *args):
15076 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15077 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15078 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15079 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15080 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15081 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15082 get_value(CombineProvenance self, ObjectKey a0) -> Object
15083 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15084 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15085 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15086 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15088 return _IMP_core.CombineProvenance_get_value(self, *args)
15090 def set_value(self, *args):
15092 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15093 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15094 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15095 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15096 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15097 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15098 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15099 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15100 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15101 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15102 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15104 return _IMP_core.CombineProvenance_set_value(self, *args)
15106 def remove_attribute(self, *args):
15108 remove_attribute(CombineProvenance self, FloatKey a0)
15109 remove_attribute(CombineProvenance self, IntKey a0)
15110 remove_attribute(CombineProvenance self, FloatsKey a0)
15111 remove_attribute(CombineProvenance self, IntsKey a0)
15112 remove_attribute(CombineProvenance self, StringKey a0)
15113 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15114 remove_attribute(CombineProvenance self, ObjectKey a0)
15115 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15116 remove_attribute(CombineProvenance self, SparseIntKey a0)
15117 remove_attribute(CombineProvenance self, SparseStringKey a0)
15118 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15120 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15122 def has_attribute(self, *args):
15124 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15125 has_attribute(CombineProvenance self, IntKey a0) -> bool
15126 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15127 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15128 has_attribute(CombineProvenance self, StringKey a0) -> bool
15129 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15130 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15131 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15132 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15133 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15134 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15136 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15138 def get_derivative(self, a0):
15139 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15140 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15142 def get_name(self):
15143 r"""get_name(CombineProvenance self) -> std::string"""
15144 return _IMP_core.CombineProvenance_get_name(self)
15146 def clear_caches(self):
15147 r"""clear_caches(CombineProvenance self)"""
15148 return _IMP_core.CombineProvenance_clear_caches(self)
15150 def set_name(self, a0):
15151 r"""set_name(CombineProvenance self, std::string a0)"""
15152 return _IMP_core.CombineProvenance_set_name(self, a0)
15155 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15156 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15158 def add_to_derivative(self, a0, a1, a2):
15159 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15160 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15162 def set_is_optimized(self, a0, a1):
15163 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15164 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15166 def get_is_optimized(self, a0):
15167 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15168 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15171 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15172 return _IMP_core.CombineProvenance_get_check_level(self)
15174 def __eq__(self, *args):
15176 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15177 __eq__(CombineProvenance self, Particle d) -> bool
15179 return _IMP_core.CombineProvenance___eq__(self, *args)
15181 def __ne__(self, *args):
15183 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15184 __ne__(CombineProvenance self, Particle d) -> bool
15186 return _IMP_core.CombineProvenance___ne__(self, *args)
15188 def __le__(self, *args):
15190 __le__(CombineProvenance self, CombineProvenance o) -> bool
15191 __le__(CombineProvenance self, Particle d) -> bool
15193 return _IMP_core.CombineProvenance___le__(self, *args)
15195 def __lt__(self, *args):
15197 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15198 __lt__(CombineProvenance self, Particle d) -> bool
15200 return _IMP_core.CombineProvenance___lt__(self, *args)
15202 def __ge__(self, *args):
15204 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15205 __ge__(CombineProvenance self, Particle d) -> bool
15207 return _IMP_core.CombineProvenance___ge__(self, *args)
15209 def __gt__(self, *args):
15211 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15212 __gt__(CombineProvenance self, Particle d) -> bool
15214 return _IMP_core.CombineProvenance___gt__(self, *args)
15216 def __hash__(self):
15217 r"""__hash__(CombineProvenance self) -> std::size_t"""
15218 return _IMP_core.CombineProvenance___hash__(self)
15221 r"""__str__(CombineProvenance self) -> std::string"""
15222 return _IMP_core.CombineProvenance___str__(self)
15224 def __repr__(self):
15225 r"""__repr__(CombineProvenance self) -> std::string"""
15226 return _IMP_core.CombineProvenance___repr__(self)
15228 def _get_as_binary(self):
15229 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15230 return _IMP_core.CombineProvenance__get_as_binary(self)
15232 def _set_from_binary(self, p):
15233 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15234 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15236 def __getstate__(self):
15237 p = self._get_as_binary()
15238 if len(self.__dict__) > 1:
15239 d = self.__dict__.copy()
15244 def __setstate__(self, p):
15245 if not hasattr(self,
'this'):
15247 if isinstance(p, tuple):
15249 self.__dict__.update(d)
15250 return self._set_from_binary(p)
15252 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15255 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15256 class FilterProvenance(Provenance):
15257 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15261 def set_method(self, method):
15262 r"""set_method(FilterProvenance self, std::string method)"""
15263 return _IMP_core.FilterProvenance_set_method(self, method)
15265 def get_method(self):
15266 r"""get_method(FilterProvenance self) -> std::string"""
15267 return _IMP_core.FilterProvenance_get_method(self)
15269 def set_number_of_frames(self, frames):
15270 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15271 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15274 r"""get_number_of_frames(FilterProvenance self) -> int"""
15275 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15277 def set_threshold(self, threshold):
15278 r"""set_threshold(FilterProvenance self, double threshold)"""
15279 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15281 def get_threshold(self):
15282 r"""get_threshold(FilterProvenance self) -> double"""
15283 return _IMP_core.FilterProvenance_get_threshold(self)
15285 def __init__(self, *args):
15287 __init__(FilterProvenance self) -> FilterProvenance
15288 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15289 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15291 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15294 def get_is_setup(*args):
15296 get_is_setup(Model m, ParticleIndex pi) -> bool
15297 get_is_setup(_ParticleAdaptor p) -> bool
15299 return _IMP_core.FilterProvenance_get_is_setup(*args)
15301 def show(self, *args):
15302 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15303 return _IMP_core.FilterProvenance_show(self, *args)
15306 def setup_particle(*args):
15308 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15309 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15310 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15311 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15313 return _IMP_core.FilterProvenance_setup_particle(*args)
15315 def add_attribute(self, *args):
15317 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15318 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15319 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15320 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15321 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15322 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15323 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15324 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15325 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15326 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15327 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15328 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15330 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15332 def get_value(self, *args):
15334 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15335 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15336 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15337 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15338 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15339 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15340 get_value(FilterProvenance self, ObjectKey a0) -> Object
15341 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15342 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15343 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15344 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15346 return _IMP_core.FilterProvenance_get_value(self, *args)
15348 def set_value(self, *args):
15350 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15351 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15352 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15353 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15354 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15355 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15356 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15357 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15358 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15359 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15360 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15362 return _IMP_core.FilterProvenance_set_value(self, *args)
15364 def remove_attribute(self, *args):
15366 remove_attribute(FilterProvenance self, FloatKey a0)
15367 remove_attribute(FilterProvenance self, IntKey a0)
15368 remove_attribute(FilterProvenance self, FloatsKey a0)
15369 remove_attribute(FilterProvenance self, IntsKey a0)
15370 remove_attribute(FilterProvenance self, StringKey a0)
15371 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15372 remove_attribute(FilterProvenance self, ObjectKey a0)
15373 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15374 remove_attribute(FilterProvenance self, SparseIntKey a0)
15375 remove_attribute(FilterProvenance self, SparseStringKey a0)
15376 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15378 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15380 def has_attribute(self, *args):
15382 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15383 has_attribute(FilterProvenance self, IntKey a0) -> bool
15384 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15385 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15386 has_attribute(FilterProvenance self, StringKey a0) -> bool
15387 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15388 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15389 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15390 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15391 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15392 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15394 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15396 def get_derivative(self, a0):
15397 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15398 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15400 def get_name(self):
15401 r"""get_name(FilterProvenance self) -> std::string"""
15402 return _IMP_core.FilterProvenance_get_name(self)
15404 def clear_caches(self):
15405 r"""clear_caches(FilterProvenance self)"""
15406 return _IMP_core.FilterProvenance_clear_caches(self)
15408 def set_name(self, a0):
15409 r"""set_name(FilterProvenance self, std::string a0)"""
15410 return _IMP_core.FilterProvenance_set_name(self, a0)
15413 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15414 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15416 def add_to_derivative(self, a0, a1, a2):
15417 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15418 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15420 def set_is_optimized(self, a0, a1):
15421 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15422 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15424 def get_is_optimized(self, a0):
15425 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15426 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15429 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15430 return _IMP_core.FilterProvenance_get_check_level(self)
15432 def __eq__(self, *args):
15434 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15435 __eq__(FilterProvenance self, Particle d) -> bool
15437 return _IMP_core.FilterProvenance___eq__(self, *args)
15439 def __ne__(self, *args):
15441 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15442 __ne__(FilterProvenance self, Particle d) -> bool
15444 return _IMP_core.FilterProvenance___ne__(self, *args)
15446 def __le__(self, *args):
15448 __le__(FilterProvenance self, FilterProvenance o) -> bool
15449 __le__(FilterProvenance self, Particle d) -> bool
15451 return _IMP_core.FilterProvenance___le__(self, *args)
15453 def __lt__(self, *args):
15455 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15456 __lt__(FilterProvenance self, Particle d) -> bool
15458 return _IMP_core.FilterProvenance___lt__(self, *args)
15460 def __ge__(self, *args):
15462 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15463 __ge__(FilterProvenance self, Particle d) -> bool
15465 return _IMP_core.FilterProvenance___ge__(self, *args)
15467 def __gt__(self, *args):
15469 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15470 __gt__(FilterProvenance self, Particle d) -> bool
15472 return _IMP_core.FilterProvenance___gt__(self, *args)
15474 def __hash__(self):
15475 r"""__hash__(FilterProvenance self) -> std::size_t"""
15476 return _IMP_core.FilterProvenance___hash__(self)
15479 r"""__str__(FilterProvenance self) -> std::string"""
15480 return _IMP_core.FilterProvenance___str__(self)
15482 def __repr__(self):
15483 r"""__repr__(FilterProvenance self) -> std::string"""
15484 return _IMP_core.FilterProvenance___repr__(self)
15486 def _get_as_binary(self):
15487 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15488 return _IMP_core.FilterProvenance__get_as_binary(self)
15490 def _set_from_binary(self, p):
15491 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15492 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15494 def __getstate__(self):
15495 p = self._get_as_binary()
15496 if len(self.__dict__) > 1:
15497 d = self.__dict__.copy()
15502 def __setstate__(self, p):
15503 if not hasattr(self,
'this'):
15505 if isinstance(p, tuple):
15507 self.__dict__.update(d)
15508 return self._set_from_binary(p)
15510 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15513 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15514 class ClusterProvenance(Provenance):
15515 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15517 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15519 def set_number_of_members(self, members):
15520 r"""set_number_of_members(ClusterProvenance self, int members)"""
15521 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15523 def get_number_of_members(self):
15524 r"""get_number_of_members(ClusterProvenance self) -> int"""
15525 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15527 def set_precision(self, precision):
15528 r"""set_precision(ClusterProvenance self, double precision)"""
15529 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15531 def get_precision(self):
15532 r"""get_precision(ClusterProvenance self) -> double"""
15533 return _IMP_core.ClusterProvenance_get_precision(self)
15535 def set_density(self, density):
15536 r"""set_density(ClusterProvenance self, std::string density)"""
15537 return _IMP_core.ClusterProvenance_set_density(self, density)
15539 def get_density(self):
15540 r"""get_density(ClusterProvenance self) -> std::string"""
15541 return _IMP_core.ClusterProvenance_get_density(self)
15543 def __init__(self, *args):
15545 __init__(ClusterProvenance self) -> ClusterProvenance
15546 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15547 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15549 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15552 def get_is_setup(*args):
15554 get_is_setup(Model m, ParticleIndex pi) -> bool
15555 get_is_setup(_ParticleAdaptor p) -> bool
15557 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15559 def show(self, *args):
15560 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15561 return _IMP_core.ClusterProvenance_show(self, *args)
15564 def setup_particle(*args):
15566 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15567 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15568 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15569 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15570 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15571 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15572 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15573 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15575 return _IMP_core.ClusterProvenance_setup_particle(*args)
15577 def add_attribute(self, *args):
15579 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15580 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15581 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15582 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15583 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15584 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15585 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15586 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15587 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15588 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15589 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15590 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15592 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15594 def get_value(self, *args):
15596 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15597 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15598 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15599 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15600 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15601 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15602 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15603 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15604 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15605 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15606 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15608 return _IMP_core.ClusterProvenance_get_value(self, *args)
15610 def set_value(self, *args):
15612 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15613 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15614 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15615 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15616 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15617 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15618 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15619 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15620 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15621 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15622 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15624 return _IMP_core.ClusterProvenance_set_value(self, *args)
15626 def remove_attribute(self, *args):
15628 remove_attribute(ClusterProvenance self, FloatKey a0)
15629 remove_attribute(ClusterProvenance self, IntKey a0)
15630 remove_attribute(ClusterProvenance self, FloatsKey a0)
15631 remove_attribute(ClusterProvenance self, IntsKey a0)
15632 remove_attribute(ClusterProvenance self, StringKey a0)
15633 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15634 remove_attribute(ClusterProvenance self, ObjectKey a0)
15635 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15636 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15637 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15638 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15640 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15642 def has_attribute(self, *args):
15644 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15645 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15646 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15647 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15648 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15649 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15650 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15651 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15652 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15653 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15654 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15656 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15658 def get_derivative(self, a0):
15659 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15660 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15662 def get_name(self):
15663 r"""get_name(ClusterProvenance self) -> std::string"""
15664 return _IMP_core.ClusterProvenance_get_name(self)
15666 def clear_caches(self):
15667 r"""clear_caches(ClusterProvenance self)"""
15668 return _IMP_core.ClusterProvenance_clear_caches(self)
15670 def set_name(self, a0):
15671 r"""set_name(ClusterProvenance self, std::string a0)"""
15672 return _IMP_core.ClusterProvenance_set_name(self, a0)
15675 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15676 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15678 def add_to_derivative(self, a0, a1, a2):
15679 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15680 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15682 def set_is_optimized(self, a0, a1):
15683 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15684 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15686 def get_is_optimized(self, a0):
15687 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15688 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15691 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15692 return _IMP_core.ClusterProvenance_get_check_level(self)
15694 def __eq__(self, *args):
15696 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15697 __eq__(ClusterProvenance self, Particle d) -> bool
15699 return _IMP_core.ClusterProvenance___eq__(self, *args)
15701 def __ne__(self, *args):
15703 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15704 __ne__(ClusterProvenance self, Particle d) -> bool
15706 return _IMP_core.ClusterProvenance___ne__(self, *args)
15708 def __le__(self, *args):
15710 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15711 __le__(ClusterProvenance self, Particle d) -> bool
15713 return _IMP_core.ClusterProvenance___le__(self, *args)
15715 def __lt__(self, *args):
15717 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15718 __lt__(ClusterProvenance self, Particle d) -> bool
15720 return _IMP_core.ClusterProvenance___lt__(self, *args)
15722 def __ge__(self, *args):
15724 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15725 __ge__(ClusterProvenance self, Particle d) -> bool
15727 return _IMP_core.ClusterProvenance___ge__(self, *args)
15729 def __gt__(self, *args):
15731 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15732 __gt__(ClusterProvenance self, Particle d) -> bool
15734 return _IMP_core.ClusterProvenance___gt__(self, *args)
15736 def __hash__(self):
15737 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15738 return _IMP_core.ClusterProvenance___hash__(self)
15741 r"""__str__(ClusterProvenance self) -> std::string"""
15742 return _IMP_core.ClusterProvenance___str__(self)
15744 def __repr__(self):
15745 r"""__repr__(ClusterProvenance self) -> std::string"""
15746 return _IMP_core.ClusterProvenance___repr__(self)
15748 def _get_as_binary(self):
15749 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15750 return _IMP_core.ClusterProvenance__get_as_binary(self)
15752 def _set_from_binary(self, p):
15753 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15754 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15756 def __getstate__(self):
15757 p = self._get_as_binary()
15758 if len(self.__dict__) > 1:
15759 d = self.__dict__.copy()
15764 def __setstate__(self, p):
15765 if not hasattr(self,
'this'):
15767 if isinstance(p, tuple):
15769 self.__dict__.update(d)
15770 return self._set_from_binary(p)
15772 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15775 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15776 class ScriptProvenance(Provenance):
15777 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15781 def set_filename(self, filename):
15782 r"""set_filename(ScriptProvenance self, std::string filename)"""
15783 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15785 def get_filename(self):
15786 r"""get_filename(ScriptProvenance self) -> std::string"""
15787 return _IMP_core.ScriptProvenance_get_filename(self)
15789 def __init__(self, *args):
15791 __init__(ScriptProvenance self) -> ScriptProvenance
15792 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15793 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15795 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15798 def get_is_setup(*args):
15800 get_is_setup(Model m, ParticleIndex pi) -> bool
15801 get_is_setup(_ParticleAdaptor p) -> bool
15803 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15805 def show(self, *args):
15806 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15807 return _IMP_core.ScriptProvenance_show(self, *args)
15810 def setup_particle(*args):
15812 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15813 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15814 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15815 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15817 return _IMP_core.ScriptProvenance_setup_particle(*args)
15819 def add_attribute(self, *args):
15821 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15822 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15823 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15824 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15825 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15826 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15827 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15828 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15829 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15830 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15831 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15832 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15834 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15836 def get_value(self, *args):
15838 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15839 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15840 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15841 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15842 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15843 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15844 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15845 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15846 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15847 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15848 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15850 return _IMP_core.ScriptProvenance_get_value(self, *args)
15852 def set_value(self, *args):
15854 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15855 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15856 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15857 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15858 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15859 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15860 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15861 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15862 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15863 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15864 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15866 return _IMP_core.ScriptProvenance_set_value(self, *args)
15868 def remove_attribute(self, *args):
15870 remove_attribute(ScriptProvenance self, FloatKey a0)
15871 remove_attribute(ScriptProvenance self, IntKey a0)
15872 remove_attribute(ScriptProvenance self, FloatsKey a0)
15873 remove_attribute(ScriptProvenance self, IntsKey a0)
15874 remove_attribute(ScriptProvenance self, StringKey a0)
15875 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15876 remove_attribute(ScriptProvenance self, ObjectKey a0)
15877 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15878 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15879 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15880 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15882 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15884 def has_attribute(self, *args):
15886 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15887 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15888 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15889 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15890 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15891 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15892 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15893 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15894 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15895 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15896 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15898 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15900 def get_derivative(self, a0):
15901 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15902 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15904 def get_name(self):
15905 r"""get_name(ScriptProvenance self) -> std::string"""
15906 return _IMP_core.ScriptProvenance_get_name(self)
15908 def clear_caches(self):
15909 r"""clear_caches(ScriptProvenance self)"""
15910 return _IMP_core.ScriptProvenance_clear_caches(self)
15912 def set_name(self, a0):
15913 r"""set_name(ScriptProvenance self, std::string a0)"""
15914 return _IMP_core.ScriptProvenance_set_name(self, a0)
15917 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15918 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15920 def add_to_derivative(self, a0, a1, a2):
15921 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15922 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15924 def set_is_optimized(self, a0, a1):
15925 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15926 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15928 def get_is_optimized(self, a0):
15929 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15930 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15933 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15934 return _IMP_core.ScriptProvenance_get_check_level(self)
15936 def __eq__(self, *args):
15938 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15939 __eq__(ScriptProvenance self, Particle d) -> bool
15941 return _IMP_core.ScriptProvenance___eq__(self, *args)
15943 def __ne__(self, *args):
15945 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15946 __ne__(ScriptProvenance self, Particle d) -> bool
15948 return _IMP_core.ScriptProvenance___ne__(self, *args)
15950 def __le__(self, *args):
15952 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15953 __le__(ScriptProvenance self, Particle d) -> bool
15955 return _IMP_core.ScriptProvenance___le__(self, *args)
15957 def __lt__(self, *args):
15959 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15960 __lt__(ScriptProvenance self, Particle d) -> bool
15962 return _IMP_core.ScriptProvenance___lt__(self, *args)
15964 def __ge__(self, *args):
15966 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15967 __ge__(ScriptProvenance self, Particle d) -> bool
15969 return _IMP_core.ScriptProvenance___ge__(self, *args)
15971 def __gt__(self, *args):
15973 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15974 __gt__(ScriptProvenance self, Particle d) -> bool
15976 return _IMP_core.ScriptProvenance___gt__(self, *args)
15978 def __hash__(self):
15979 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15980 return _IMP_core.ScriptProvenance___hash__(self)
15983 r"""__str__(ScriptProvenance self) -> std::string"""
15984 return _IMP_core.ScriptProvenance___str__(self)
15986 def __repr__(self):
15987 r"""__repr__(ScriptProvenance self) -> std::string"""
15988 return _IMP_core.ScriptProvenance___repr__(self)
15990 def _get_as_binary(self):
15991 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15992 return _IMP_core.ScriptProvenance__get_as_binary(self)
15994 def _set_from_binary(self, p):
15995 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15996 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15998 def __getstate__(self):
15999 p = self._get_as_binary()
16000 if len(self.__dict__) > 1:
16001 d = self.__dict__.copy()
16006 def __setstate__(self, p):
16007 if not hasattr(self,
'this'):
16009 if isinstance(p, tuple):
16011 self.__dict__.update(d)
16012 return self._set_from_binary(p)
16014 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16017 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16018 class SoftwareProvenance(Provenance):
16019 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16021 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16023 def set_software_name(self, name):
16024 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16025 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16027 def get_software_name(self):
16028 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16029 return _IMP_core.SoftwareProvenance_get_software_name(self)
16031 def set_version(self, version):
16032 r"""set_version(SoftwareProvenance self, std::string version)"""
16033 return _IMP_core.SoftwareProvenance_set_version(self, version)
16035 def get_version(self):
16036 r"""get_version(SoftwareProvenance self) -> std::string"""
16037 return _IMP_core.SoftwareProvenance_get_version(self)
16039 def set_location(self, location):
16040 r"""set_location(SoftwareProvenance self, std::string location)"""
16041 return _IMP_core.SoftwareProvenance_set_location(self, location)
16043 def get_location(self):
16044 r"""get_location(SoftwareProvenance self) -> std::string"""
16045 return _IMP_core.SoftwareProvenance_get_location(self)
16047 def __init__(self, *args):
16049 __init__(SoftwareProvenance self) -> SoftwareProvenance
16050 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16051 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16053 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16056 def get_is_setup(*args):
16058 get_is_setup(Model m, ParticleIndex pi) -> bool
16059 get_is_setup(_ParticleAdaptor p) -> bool
16061 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16063 def show(self, *args):
16064 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16065 return _IMP_core.SoftwareProvenance_show(self, *args)
16068 def setup_particle(*args):
16070 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16071 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16072 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16073 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16075 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16077 def add_attribute(self, *args):
16079 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16080 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16081 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16082 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16083 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16084 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16085 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16086 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16087 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16088 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16089 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16090 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16092 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16094 def get_value(self, *args):
16096 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16097 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16098 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16099 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16100 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16101 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16102 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16103 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16104 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16105 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16106 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16108 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16110 def set_value(self, *args):
16112 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16113 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16114 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16115 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16116 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16117 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16118 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16119 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16120 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16121 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16122 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16124 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16126 def remove_attribute(self, *args):
16128 remove_attribute(SoftwareProvenance self, FloatKey a0)
16129 remove_attribute(SoftwareProvenance self, IntKey a0)
16130 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16131 remove_attribute(SoftwareProvenance self, IntsKey a0)
16132 remove_attribute(SoftwareProvenance self, StringKey a0)
16133 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16134 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16135 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16136 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16137 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16138 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16140 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16142 def has_attribute(self, *args):
16144 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16145 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16146 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16147 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16148 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16149 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16150 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16151 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16152 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16153 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16154 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16156 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16158 def get_derivative(self, a0):
16159 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16160 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16162 def get_name(self):
16163 r"""get_name(SoftwareProvenance self) -> std::string"""
16164 return _IMP_core.SoftwareProvenance_get_name(self)
16166 def clear_caches(self):
16167 r"""clear_caches(SoftwareProvenance self)"""
16168 return _IMP_core.SoftwareProvenance_clear_caches(self)
16170 def set_name(self, a0):
16171 r"""set_name(SoftwareProvenance self, std::string a0)"""
16172 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16175 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16176 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16178 def add_to_derivative(self, a0, a1, a2):
16179 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16180 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16182 def set_is_optimized(self, a0, a1):
16183 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16184 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16186 def get_is_optimized(self, a0):
16187 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16188 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16191 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16192 return _IMP_core.SoftwareProvenance_get_check_level(self)
16194 def __eq__(self, *args):
16196 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16197 __eq__(SoftwareProvenance self, Particle d) -> bool
16199 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16201 def __ne__(self, *args):
16203 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16204 __ne__(SoftwareProvenance self, Particle d) -> bool
16206 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16208 def __le__(self, *args):
16210 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16211 __le__(SoftwareProvenance self, Particle d) -> bool
16213 return _IMP_core.SoftwareProvenance___le__(self, *args)
16215 def __lt__(self, *args):
16217 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16218 __lt__(SoftwareProvenance self, Particle d) -> bool
16220 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16222 def __ge__(self, *args):
16224 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16225 __ge__(SoftwareProvenance self, Particle d) -> bool
16227 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16229 def __gt__(self, *args):
16231 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16232 __gt__(SoftwareProvenance self, Particle d) -> bool
16234 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16236 def __hash__(self):
16237 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16238 return _IMP_core.SoftwareProvenance___hash__(self)
16241 r"""__str__(SoftwareProvenance self) -> std::string"""
16242 return _IMP_core.SoftwareProvenance___str__(self)
16244 def __repr__(self):
16245 r"""__repr__(SoftwareProvenance self) -> std::string"""
16246 return _IMP_core.SoftwareProvenance___repr__(self)
16248 def _get_as_binary(self):
16249 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16250 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16252 def _set_from_binary(self, p):
16253 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16254 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16256 def __getstate__(self):
16257 p = self._get_as_binary()
16258 if len(self.__dict__) > 1:
16259 d = self.__dict__.copy()
16264 def __setstate__(self, p):
16265 if not hasattr(self,
'this'):
16267 if isinstance(p, tuple):
16269 self.__dict__.update(d)
16270 return self._set_from_binary(p)
16272 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16275 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16277 r"""Proxy of C++ IMP::core::Provenanced class."""
16279 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16281 def get_provenance(self):
16282 r"""get_provenance(Provenanced self) -> Provenance"""
16283 return _IMP_core.Provenanced_get_provenance(self)
16285 def set_provenance(self, p):
16286 r"""set_provenance(Provenanced self, Provenance p)"""
16287 return _IMP_core.Provenanced_set_provenance(self, p)
16289 def __init__(self, *args):
16291 __init__(Provenanced self) -> Provenanced
16292 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16293 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16295 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16298 def get_is_setup(*args):
16300 get_is_setup(Model m, ParticleIndex pi) -> bool
16301 get_is_setup(_ParticleAdaptor p) -> bool
16303 return _IMP_core.Provenanced_get_is_setup(*args)
16305 def show(self, *args):
16306 r"""show(Provenanced self, _ostream out=std::cout)"""
16307 return _IMP_core.Provenanced_show(self, *args)
16310 def setup_particle(*args):
16312 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16313 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16315 return _IMP_core.Provenanced_setup_particle(*args)
16317 def add_attribute(self, *args):
16319 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16320 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16321 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16322 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16323 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16324 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16325 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16326 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16327 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16328 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16329 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16330 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16332 return _IMP_core.Provenanced_add_attribute(self, *args)
16334 def get_value(self, *args):
16336 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16337 get_value(Provenanced self, IntKey a0) -> IMP::Int
16338 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16339 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16340 get_value(Provenanced self, StringKey a0) -> IMP::String
16341 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16342 get_value(Provenanced self, ObjectKey a0) -> Object
16343 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16344 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16345 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16346 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16348 return _IMP_core.Provenanced_get_value(self, *args)
16350 def set_value(self, *args):
16352 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16353 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16354 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16355 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16356 set_value(Provenanced self, StringKey a0, IMP::String a1)
16357 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16358 set_value(Provenanced self, ObjectKey a0, Object a1)
16359 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16360 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16361 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16362 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16364 return _IMP_core.Provenanced_set_value(self, *args)
16366 def remove_attribute(self, *args):
16368 remove_attribute(Provenanced self, FloatKey a0)
16369 remove_attribute(Provenanced self, IntKey a0)
16370 remove_attribute(Provenanced self, FloatsKey a0)
16371 remove_attribute(Provenanced self, IntsKey a0)
16372 remove_attribute(Provenanced self, StringKey a0)
16373 remove_attribute(Provenanced self, ParticleIndexKey a0)
16374 remove_attribute(Provenanced self, ObjectKey a0)
16375 remove_attribute(Provenanced self, SparseFloatKey a0)
16376 remove_attribute(Provenanced self, SparseIntKey a0)
16377 remove_attribute(Provenanced self, SparseStringKey a0)
16378 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16380 return _IMP_core.Provenanced_remove_attribute(self, *args)
16382 def has_attribute(self, *args):
16384 has_attribute(Provenanced self, FloatKey a0) -> bool
16385 has_attribute(Provenanced self, IntKey a0) -> bool
16386 has_attribute(Provenanced self, FloatsKey a0) -> bool
16387 has_attribute(Provenanced self, IntsKey a0) -> bool
16388 has_attribute(Provenanced self, StringKey a0) -> bool
16389 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16390 has_attribute(Provenanced self, ObjectKey a0) -> bool
16391 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16392 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16393 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16394 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16396 return _IMP_core.Provenanced_has_attribute(self, *args)
16398 def get_derivative(self, a0):
16399 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16400 return _IMP_core.Provenanced_get_derivative(self, a0)
16402 def get_name(self):
16403 r"""get_name(Provenanced self) -> std::string"""
16404 return _IMP_core.Provenanced_get_name(self)
16406 def clear_caches(self):
16407 r"""clear_caches(Provenanced self)"""
16408 return _IMP_core.Provenanced_clear_caches(self)
16410 def set_name(self, a0):
16411 r"""set_name(Provenanced self, std::string a0)"""
16412 return _IMP_core.Provenanced_set_name(self, a0)
16415 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16416 return _IMP_core.Provenanced_set_check_level(self, a0)
16418 def add_to_derivative(self, a0, a1, a2):
16419 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16420 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16422 def set_is_optimized(self, a0, a1):
16423 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16424 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16426 def get_is_optimized(self, a0):
16427 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16428 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16431 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16432 return _IMP_core.Provenanced_get_check_level(self)
16434 def __eq__(self, *args):
16436 __eq__(Provenanced self, Provenanced o) -> bool
16437 __eq__(Provenanced self, Particle d) -> bool
16439 return _IMP_core.Provenanced___eq__(self, *args)
16441 def __ne__(self, *args):
16443 __ne__(Provenanced self, Provenanced o) -> bool
16444 __ne__(Provenanced self, Particle d) -> bool
16446 return _IMP_core.Provenanced___ne__(self, *args)
16448 def __le__(self, *args):
16450 __le__(Provenanced self, Provenanced o) -> bool
16451 __le__(Provenanced self, Particle d) -> bool
16453 return _IMP_core.Provenanced___le__(self, *args)
16455 def __lt__(self, *args):
16457 __lt__(Provenanced self, Provenanced o) -> bool
16458 __lt__(Provenanced self, Particle d) -> bool
16460 return _IMP_core.Provenanced___lt__(self, *args)
16462 def __ge__(self, *args):
16464 __ge__(Provenanced self, Provenanced o) -> bool
16465 __ge__(Provenanced self, Particle d) -> bool
16467 return _IMP_core.Provenanced___ge__(self, *args)
16469 def __gt__(self, *args):
16471 __gt__(Provenanced self, Provenanced o) -> bool
16472 __gt__(Provenanced self, Particle d) -> bool
16474 return _IMP_core.Provenanced___gt__(self, *args)
16476 def __hash__(self):
16477 r"""__hash__(Provenanced self) -> std::size_t"""
16478 return _IMP_core.Provenanced___hash__(self)
16481 r"""__str__(Provenanced self) -> std::string"""
16482 return _IMP_core.Provenanced___str__(self)
16484 def __repr__(self):
16485 r"""__repr__(Provenanced self) -> std::string"""
16486 return _IMP_core.Provenanced___repr__(self)
16488 def _get_as_binary(self):
16489 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16490 return _IMP_core.Provenanced__get_as_binary(self)
16492 def _set_from_binary(self, p):
16493 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16494 return _IMP_core.Provenanced__set_from_binary(self, p)
16496 def __getstate__(self):
16497 p = self._get_as_binary()
16498 if len(self.__dict__) > 1:
16499 d = self.__dict__.copy()
16504 def __setstate__(self, p):
16505 if not hasattr(self,
'this'):
16507 if isinstance(p, tuple):
16509 self.__dict__.update(d)
16510 return self._set_from_binary(p)
16512 __swig_destroy__ = _IMP_core.delete_Provenanced
16515 _IMP_core.Provenanced_swigregister(Provenanced)
16518 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16519 return _IMP_core.add_provenance(m, pi, p)
16522 r"""create_clone(Provenance p) -> Provenance"""
16523 return _IMP_core.create_clone(p)
16527 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16528 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16529 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16531 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16534 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16535 return _IMP_core.create_restraint(ps, pp)
16537 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16539 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16541 def __init__(self, *args):
16543 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16544 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16546 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16548 def get_version_info(self):
16549 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16550 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16551 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16554 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16555 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16557 def __repr__(self):
16558 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16559 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16563 return _object_cast_to_TruncatedHarmonic(o)
16567 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16569 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16571 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16573 def __init__(self, *args):
16575 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16576 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16578 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16580 def get_version_info(self):
16581 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16582 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16583 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16586 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16587 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16589 def __repr__(self):
16590 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16591 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16595 return _object_cast_to_TruncatedHarmonic(o)
16599 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16601 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16605 def __init__(self, *args):
16607 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16608 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16610 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16612 def get_version_info(self):
16613 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16614 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16615 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16618 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16619 return _IMP_core.TruncatedHarmonicBound___str__(self)
16621 def __repr__(self):
16622 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16623 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16627 return _object_cast_to_TruncatedHarmonic(o)
16631 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16633 r"""Proxy of C++ IMP::Key< 34897493 > 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__(ParticleType self) -> ParticleType
16640 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16641 __init__(ParticleType self, unsigned int i) -> ParticleType
16643 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16647 r"""add_key(std::string sc) -> unsigned int"""
16648 return _IMP_core.ParticleType_add_key(sc)
16651 def get_key_exists(sc):
16652 r"""get_key_exists(std::string sc) -> bool"""
16653 return _IMP_core.ParticleType_get_key_exists(sc)
16655 def get_string(self):
16656 r"""get_string(ParticleType self) -> std::string const"""
16657 return _IMP_core.ParticleType_get_string(self)
16659 def __cmp__(self, o):
16660 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16661 return _IMP_core.ParticleType___cmp__(self, o)
16663 def __eq__(self, o):
16664 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16665 return _IMP_core.ParticleType___eq__(self, o)
16667 def __ne__(self, o):
16668 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16669 return _IMP_core.ParticleType___ne__(self, o)
16671 def __lt__(self, o):
16672 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16673 return _IMP_core.ParticleType___lt__(self, o)
16675 def __gt__(self, o):
16676 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16677 return _IMP_core.ParticleType___gt__(self, o)
16679 def __ge__(self, o):
16680 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16681 return _IMP_core.ParticleType___ge__(self, o)
16683 def __le__(self, o):
16684 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16685 return _IMP_core.ParticleType___le__(self, o)
16687 def __hash__(self):
16688 r"""__hash__(ParticleType self) -> std::size_t"""
16689 return _IMP_core.ParticleType___hash__(self)
16691 def show(self, *args):
16692 r"""show(ParticleType self, _ostream out=std::cout)"""
16693 return _IMP_core.ParticleType_show(self, *args)
16696 def add_alias(old_key, new_name):
16697 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16698 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16701 def get_number_of_keys():
16702 r"""get_number_of_keys() -> unsigned int"""
16703 return _IMP_core.ParticleType_get_number_of_keys()
16706 r"""get_index(ParticleType self) -> unsigned int"""
16707 return _IMP_core.ParticleType_get_index(self)
16711 r"""show_all(_ostream out)"""
16712 return _IMP_core.ParticleType_show_all(out)
16715 def get_all_strings():
16716 r"""get_all_strings() -> IMP::Vector< std::string >"""
16717 return _IMP_core.ParticleType_get_all_strings()
16720 def get_number_unique():
16721 r"""get_number_unique() -> unsigned int"""
16722 return _IMP_core.ParticleType_get_number_unique()
16725 r"""__str__(ParticleType self) -> std::string"""
16726 return _IMP_core.ParticleType___str__(self)
16728 def __repr__(self):
16729 r"""__repr__(ParticleType self) -> std::string"""
16730 return _IMP_core.ParticleType___repr__(self)
16731 __swig_destroy__ = _IMP_core.delete_ParticleType
16734 _IMP_core.ParticleType_swigregister(ParticleType)
16736 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16739 __repr__ = _swig_repr
16741 def __init__(self, f, k):
16742 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16743 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16745 def do_get_inputs(self, m, pis):
16746 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16747 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16749 def get_unary_function(self):
16750 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16751 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16754 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16755 return _IMP_core.AttributeSingletonScore_get_key(self)
16757 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16758 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"""
16759 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16761 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16762 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"""
16763 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16765 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16766 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"""
16767 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16769 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16770 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"""
16771 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16773 def get_version_info(self):
16774 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16775 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16776 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16780 return _object_cast_to_AttributeSingletonScore(o)
16783 def _get_jax(self, m, indexes):
16784 def score_float_key(jm, key, uf):
16785 return uf(jm[key][indexes])
16787 def score_xyz_key(jm, xyz_index, uf):
16788 return uf(jm[
'xyz'][indexes, xyz_index])
16790 uf = self.get_unary_function().get_derived_object()._get_jax()
16791 key = self.get_key()
16794 if key.get_index() >= 7:
16796 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16797 elif key == XYZR.get_radius_key():
16799 f = functools.partial(score_float_key, key=
'r', uf=uf)
16800 elif key
in XYZ.get_xyz_keys():
16802 xyz_index = XYZ.get_xyz_keys().index(key)
16803 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16805 raise NotImplementedError(
"No support for key %s" % key)
16806 return self._wrap_jax(m, f, keys=need_keys)
16810 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16813 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16814 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16816 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16818 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16819 __repr__ = _swig_repr
16821 def __init__(self, f, bb):
16822 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16823 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16825 def get_unary_function(self):
16826 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16827 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16830 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16831 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16833 def do_get_inputs(self, m, pis):
16834 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16835 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16837 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16838 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"""
16839 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16841 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16842 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"""
16843 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16845 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16846 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"""
16847 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16849 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16850 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"""
16851 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16853 def get_version_info(self):
16854 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16855 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16856 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16860 return _object_cast_to_BoundingBox3DSingletonScore(o)
16863 def _get_jax(self, m, indexes):
16864 import jax.numpy
as jnp
16865 def score(jm, box_min, box_max, uf):
16866 xyzs = jm[
'xyz'][indexes]
16873 drs = jnp.linalg.norm(
16874 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16876 uf = self.get_unary_function().get_derived_object()
16877 bb = self.get_bounding_box()
16878 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16879 box_max=jnp.asarray(bb.get_corner(1)),
16881 return self._wrap_jax(m, f)
16885 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16887 def create_bounding_box_3d_singleton_score(f, bb):
16888 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16889 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16891 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16893 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16894 __repr__ = _swig_repr
16896 def __init__(self, f, sphere):
16897 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16898 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16900 def do_get_inputs(self, m, pis):
16901 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16902 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16904 def get_unary_function(self):
16905 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
16906 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
16908 def get_sphere(self):
16909 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
16910 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
16912 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16913 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"""
16914 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16916 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16917 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"""
16918 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16920 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16921 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"""
16922 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16924 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16925 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"""
16926 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16928 def get_version_info(self):
16929 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16930 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16931 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16935 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16938 def _get_jax(self, m, indexes):
16939 import jax.numpy
as jnp
16941 def score_with_radius(jm, inds, center, radius):
16942 xyzs = jm[
'xyz'][inds]
16943 radii = jm[
'r'][inds]
16944 drs = jnp.linalg.norm(xyzs - center) + radii - radius
16945 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16946 def score_without_radius(jm, inds, center, radius):
16947 xyzs = jm[
'xyz'][inds]
16948 drs = jnp.linalg.norm(xyzs - center) - radius
16949 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16950 without_radii_inds = []
16951 with_radii_inds = []
16952 for ind
in indexes:
16953 if XYZR.get_is_setup(m, ind):
16954 with_radii_inds.append(ind)
16956 without_radii_inds.append(ind)
16957 without_radii_inds = jnp.asarray(without_radii_inds)
16958 with_radii_inds = jnp.asarray(with_radii_inds)
16959 uf = self.get_unary_function().get_derived_object()._get_jax()
16960 sphere = self.get_sphere()
16961 radius = sphere.get_radius()
16962 center = jnp.asarray(sphere.get_center())
16965 if without_radii_inds.size > 0:
16966 s += score_without_radius(jm, without_radii_inds,
16968 if with_radii_inds.size > 0:
16969 s += score_with_radius(jm, with_radii_inds, center, radius)
16971 return self._wrap_jax(m, score)
16975 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16977 def create_bounding_sphere_3d_singleton_score(f, sphere):
16978 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16979 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16981 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16984 __repr__ = _swig_repr
16986 def __init__(self, *args):
16988 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16989 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16991 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16993 def do_get_inputs(self, m, pis):
16994 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16995 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16997 def get_unary_function(self):
16998 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16999 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17001 def get_point(self):
17002 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17003 return _IMP_core.DistanceToSingletonScore_get_point(self)
17005 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17006 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"""
17007 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17009 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17010 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"""
17011 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17013 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17014 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"""
17015 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17017 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17018 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"""
17019 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17021 def get_version_info(self):
17022 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17023 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17024 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17028 return _object_cast_to_DistanceToSingletonScore(o)
17031 def _get_as_binary(self):
17032 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17033 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17035 def _set_from_binary(self, p):
17036 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17037 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17039 def __getstate__(self):
17040 p = self._get_as_binary()
17041 if len(self.__dict__) > 1:
17042 d = self.__dict__.copy()
17047 def __setstate__(self, p):
17048 if not hasattr(self,
'this'):
17050 if isinstance(p, tuple):
17052 self.__dict__.update(d)
17053 return self._set_from_binary(p)
17056 def _get_jax(self, m, indexes):
17057 import jax.numpy
as jnp
17058 def score(jm, point, uf):
17059 xyzs = jm[
'xyz'][indexes]
17060 drs = jnp.linalg.norm(xyzs - point, axis=1)
17062 uf = self.get_unary_function().get_derived_object()
17063 f = functools.partial(score, point=jnp.array(self.get_point()),
17065 return self._wrap_jax(m, f)
17069 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17071 def create_distance_to_singleton_score(f, pt):
17072 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17073 return _IMP_core.create_distance_to_singleton_score(f, pt)
17075 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17076 def __init__(self, uf):
17077 if isinstance(uf, HarmonicUpperBound):
17078 p = HarmonicUpperBoundSphereDistancePairScore(
17079 uf.get_mean(), uf.get_k())
17080 elif isinstance(uf, HarmonicLowerBound):
17081 if uf.get_mean() == 0.0:
17082 p = SoftSpherePairScore(uf.get_k())
17084 p = _SphereDistancePairScore(uf)
17085 elif isinstance(uf, Harmonic):
17086 p = HarmonicSphereDistancePairScore(
17087 uf.get_mean(), uf.get_k())
17089 p = _SphereDistancePairScore(uf)
17090 self.__dict__[
'_proxied'] = p
17091 def __getattr__(self, key):
17092 return getattr(self._proxied, key)
17093 def __setattr__(self, key, val):
17094 return setattr(self._proxied, key, val)
17096 def __getstate__(self):
17097 return self.__dict__[
'_proxied']
17099 def __setstate__(self, p):
17100 self.__dict__[
'_proxied'] = p
17102 def _get_jax(self, *args, **kwargs):
17103 return self._proxied._get_jax(*args, **kwargs)
17108 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17111 p = HarmonicSphereDistancePairScore.get_from(o)
17114 p = SoftSpherePairScore.get_from(o)
17116 p = _SphereDistancePairScore.get_from(o)
17117 obj = object.__new__(SphereDistancePairScore)
17118 obj.__dict__[
'_proxied'] = p
17124 CombineProvenance, FilterProvenance,
17125 ClusterProvenance, ScriptProvenance,
17126 SoftwareProvenance]):
17127 """Yield all provenance decorators of the given types for the particle.
17128 By default, all provenance types are returned. Provenance is returned
17129 in order, most recent first. If the particle has no provenance
17130 information, an empty generator is returned."""
17131 if Provenanced.get_is_setup(p):
17135 if c.get_is_setup(prov):
17137 prov = prov.get_previous()
17140 """Tag the given particle with the current Python script.
17141 This is a noop if the particle is already so tagged."""
17142 main = sys.modules[
'__main__']
17144 if not hasattr(main,
'__file__'):
17148 if prov.get_filename() == f:
17152 provp.set_name(
'script')
17153 prov = ScriptProvenance.setup_particle(provp, f)
17157 """Tag the given particle with the software used to create it.
17158 This is a noop if the particle is already so tagged."""
17160 if prov.get_software_name() == name
and prov.get_version() == version \
17161 and prov.get_location() == location:
17165 provp.set_name(
'software')
17166 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17170 """Tag the given particle as being created by the current version of IMP."""
17173 location=
"https://integrativemodeling.org")
17176 def get_module_name():
17177 r"""get_module_name() -> std::string const"""
17178 return _IMP_core.get_module_name()
17181 r"""get_module_version() -> std::string const"""
17182 return _IMP_core.get_module_version()
17185 r"""get_example_path(std::string fname) -> std::string"""
17186 return _IMP_core.get_example_path(fname)
17189 r"""get_data_path(std::string fname) -> std::string"""
17190 return _IMP_core.get_data_path(fname)
17192 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.