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 do_propose(self):
1820 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1821 return _IMP_core.MonteCarloMover_do_propose(self)
1823 def do_reject(self):
1824 r"""do_reject(MonteCarloMover self)"""
1825 return _IMP_core.MonteCarloMover_do_reject(self)
1827 def do_accept(self):
1828 r"""do_accept(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_accept(self)
1831 def do_get_outputs(self):
1832 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1833 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1836 r"""__str__(MonteCarloMover self) -> std::string"""
1837 return _IMP_core.MonteCarloMover___str__(self)
1840 r"""__repr__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___repr__(self)
1845 return _object_cast_to_MonteCarloMover(o)
1848 def do_show(self, out):
1853 return _object_cast_to_MonteCarloMover(o)
1857 """Return a JAX implementation of this mover.
1858 Implement this method in a MonteCarloMover subclass to provide
1859 equivalent functionality using [JAX](https://docs.jax.dev/).
1860 See _wrap_jax for more information.
1862 raise NotImplementedError(f
"No JAX implementation for {self}")
1864 def _wrap_jax(self, init_func, propose_func):
1865 """Create the return value for _get_jax.
1866 Use this method in _get_jax() to wrap the JAX functions
1867 with other mover-specific information.
1869 @param init_func a JAX function which is used to initialize this
1870 mover. It is called with a single argument, a fresh JAX
1871 random key, and should return a persistent state object.
1872 This object may be the key itself, or any other Python object
1873 that JAX understands.
1874 @param propose_func a JAX function which is called with the current
1875 JAX Model and the mover's persistent state object.
1876 It should return a new JAX Model with the move applied,
1877 a new persistent state, and the proposal ratio. If the move
1878 is rejected then the new JAX Model will be discarded.
1879 However, the mover's persistent state is updated for both
1880 accepted and rejected moves.
1882 from IMP.core._jax_util
import JAXMoverInfo
1883 return JAXMoverInfo(init_func, propose_func)
1885 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1886 def __disown__(self):
1888 _IMP_core.disown_MonteCarloMover(self)
1889 return weakref.proxy(self)
1891 def do_destroy(self):
1892 r"""do_destroy(MonteCarloMover self)"""
1893 return _IMP_core.MonteCarloMover_do_destroy(self)
1895 def handle_set_has_required_score_states(self, arg0):
1896 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1897 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1899 def do_get_inputs(self):
1900 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1901 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1903 def do_get_interactions(self):
1904 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1905 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1908 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1910 r"""Proxy of C++ IMP::core::XYZ class."""
1912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1915 def get_coordinate_key(i):
1916 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1917 return _IMP_core.XYZ_get_coordinate_key(i)
1919 def __init__(self, *args):
1921 __init__(XYZ self) -> XYZ
1922 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1923 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1925 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1927 def show(self, *args):
1928 r"""show(XYZ self, _ostream out=std::cout)"""
1929 return _IMP_core.XYZ_show(self, *args)
1932 def setup_particle(*args):
1934 setup_particle(Model m, ParticleIndex pi) -> XYZ
1935 setup_particle(_ParticleAdaptor pa) -> XYZ
1936 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1937 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1939 return _IMP_core.XYZ_setup_particle(*args)
1942 r"""get_x(XYZ self) -> IMP::Float"""
1943 return _IMP_core.XYZ_get_x(self)
1946 r"""set_x(XYZ self, IMP::Float t)"""
1947 return _IMP_core.XYZ_set_x(self, t)
1950 r"""get_y(XYZ self) -> IMP::Float"""
1951 return _IMP_core.XYZ_get_y(self)
1954 r"""set_y(XYZ self, IMP::Float t)"""
1955 return _IMP_core.XYZ_set_y(self, t)
1958 r"""get_z(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_z(self)
1962 r"""set_z(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_z(self, t)
1965 def set_coordinate(self, i, v):
1966 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1967 return _IMP_core.XYZ_set_coordinate(self, i, v)
1969 def set_coordinates(self, v):
1970 r"""set_coordinates(XYZ self, Vector3D v)"""
1971 return _IMP_core.XYZ_set_coordinates(self, v)
1973 def get_coordinate(self, i):
1974 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_coordinate(self, i)
1977 def add_to_derivatives(self, v, d):
1978 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1979 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1981 def get_coordinates_are_optimized(self):
1982 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1983 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1985 def set_coordinates_are_optimized(self, tf):
1986 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1987 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1989 def get_vector_to(self, b):
1990 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1991 return _IMP_core.XYZ_get_vector_to(self, b)
1993 def get_coordinates(self):
1994 r"""get_coordinates(XYZ self) -> Vector3D"""
1995 return _IMP_core.XYZ_get_coordinates(self)
1997 def get_derivatives(self):
1998 r"""get_derivatives(XYZ self) -> Vector3D"""
1999 return _IMP_core.XYZ_get_derivatives(self)
2002 def get_is_setup(*args):
2004 get_is_setup(_ParticleAdaptor p) -> bool
2005 get_is_setup(Model m, ParticleIndex pi) -> bool
2007 return _IMP_core.XYZ_get_is_setup(*args)
2011 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2012 return _IMP_core.XYZ_get_xyz_keys()
2014 def add_attribute(self, *args):
2016 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2017 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2018 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2019 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2020 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2021 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2022 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2023 add_attribute(XYZ self, ObjectKey a0, Object a1)
2024 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2025 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2026 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2027 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2029 return _IMP_core.XYZ_add_attribute(self, *args)
2031 def get_value(self, *args):
2033 get_value(XYZ self, FloatKey a0) -> IMP::Float
2034 get_value(XYZ self, IntKey a0) -> IMP::Int
2035 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2036 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2037 get_value(XYZ self, StringKey a0) -> IMP::String
2038 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2039 get_value(XYZ self, ObjectKey a0) -> Object
2040 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2041 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2042 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2043 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2045 return _IMP_core.XYZ_get_value(self, *args)
2047 def set_value(self, *args):
2049 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2050 set_value(XYZ self, IntKey a0, IMP::Int a1)
2051 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2052 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2053 set_value(XYZ self, StringKey a0, IMP::String a1)
2054 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2055 set_value(XYZ self, ObjectKey a0, Object a1)
2056 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2057 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2058 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2059 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2061 return _IMP_core.XYZ_set_value(self, *args)
2063 def remove_attribute(self, *args):
2065 remove_attribute(XYZ self, FloatKey a0)
2066 remove_attribute(XYZ self, IntKey a0)
2067 remove_attribute(XYZ self, FloatsKey a0)
2068 remove_attribute(XYZ self, IntsKey a0)
2069 remove_attribute(XYZ self, StringKey a0)
2070 remove_attribute(XYZ self, ParticleIndexKey a0)
2071 remove_attribute(XYZ self, ObjectKey a0)
2072 remove_attribute(XYZ self, SparseFloatKey a0)
2073 remove_attribute(XYZ self, SparseIntKey a0)
2074 remove_attribute(XYZ self, SparseStringKey a0)
2075 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2077 return _IMP_core.XYZ_remove_attribute(self, *args)
2079 def has_attribute(self, *args):
2081 has_attribute(XYZ self, FloatKey a0) -> bool
2082 has_attribute(XYZ self, IntKey a0) -> bool
2083 has_attribute(XYZ self, FloatsKey a0) -> bool
2084 has_attribute(XYZ self, IntsKey a0) -> bool
2085 has_attribute(XYZ self, StringKey a0) -> bool
2086 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2087 has_attribute(XYZ self, ObjectKey a0) -> bool
2088 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2089 has_attribute(XYZ self, SparseIntKey a0) -> bool
2090 has_attribute(XYZ self, SparseStringKey a0) -> bool
2091 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2093 return _IMP_core.XYZ_has_attribute(self, *args)
2095 def get_derivative(self, *args):
2097 get_derivative(XYZ self, int i) -> IMP::Float
2098 get_derivative(XYZ self, FloatKey a0) -> double
2100 return _IMP_core.XYZ_get_derivative(self, *args)
2103 r"""get_name(XYZ self) -> std::string"""
2104 return _IMP_core.XYZ_get_name(self)
2106 def clear_caches(self):
2107 r"""clear_caches(XYZ self)"""
2108 return _IMP_core.XYZ_clear_caches(self)
2110 def set_name(self, a0):
2111 r"""set_name(XYZ self, std::string a0)"""
2112 return _IMP_core.XYZ_set_name(self, a0)
2115 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2116 return _IMP_core.XYZ_set_check_level(self, a0)
2118 def add_to_derivative(self, *args):
2120 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2121 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2123 return _IMP_core.XYZ_add_to_derivative(self, *args)
2125 def set_is_optimized(self, a0, a1):
2126 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2127 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2129 def get_is_optimized(self, a0):
2130 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2131 return _IMP_core.XYZ_get_is_optimized(self, a0)
2134 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2135 return _IMP_core.XYZ_get_check_level(self)
2137 def __eq__(self, *args):
2139 __eq__(XYZ self, XYZ o) -> bool
2140 __eq__(XYZ self, Particle d) -> bool
2142 return _IMP_core.XYZ___eq__(self, *args)
2144 def __ne__(self, *args):
2146 __ne__(XYZ self, XYZ o) -> bool
2147 __ne__(XYZ self, Particle d) -> bool
2149 return _IMP_core.XYZ___ne__(self, *args)
2151 def __le__(self, *args):
2153 __le__(XYZ self, XYZ o) -> bool
2154 __le__(XYZ self, Particle d) -> bool
2156 return _IMP_core.XYZ___le__(self, *args)
2158 def __lt__(self, *args):
2160 __lt__(XYZ self, XYZ o) -> bool
2161 __lt__(XYZ self, Particle d) -> bool
2163 return _IMP_core.XYZ___lt__(self, *args)
2165 def __ge__(self, *args):
2167 __ge__(XYZ self, XYZ o) -> bool
2168 __ge__(XYZ self, Particle d) -> bool
2170 return _IMP_core.XYZ___ge__(self, *args)
2172 def __gt__(self, *args):
2174 __gt__(XYZ self, XYZ o) -> bool
2175 __gt__(XYZ self, Particle d) -> bool
2177 return _IMP_core.XYZ___gt__(self, *args)
2180 r"""__hash__(XYZ self) -> std::size_t"""
2181 return _IMP_core.XYZ___hash__(self)
2184 r"""__str__(XYZ self) -> std::string"""
2185 return _IMP_core.XYZ___str__(self)
2188 r"""__repr__(XYZ self) -> std::string"""
2189 return _IMP_core.XYZ___repr__(self)
2191 def _get_as_binary(self):
2192 r"""_get_as_binary(XYZ self) -> PyObject *"""
2193 return _IMP_core.XYZ__get_as_binary(self)
2195 def _set_from_binary(self, p):
2196 r"""_set_from_binary(XYZ self, PyObject * p)"""
2197 return _IMP_core.XYZ__set_from_binary(self, p)
2199 def __getstate__(self):
2200 p = self._get_as_binary()
2201 if len(self.__dict__) > 1:
2202 d = self.__dict__.copy()
2207 def __setstate__(self, p):
2208 if not hasattr(self,
'this'):
2210 if isinstance(p, tuple):
2212 self.__dict__.update(d)
2213 return self._set_from_binary(p)
2215 __swig_destroy__ = _IMP_core.delete_XYZ
2218 _IMP_core.XYZ_swigregister(XYZ)
2221 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2222 return _IMP_core.set_vector_geometry(d, v)
2225 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2226 return _IMP_core.get_vector_geometry(d)
2229 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2230 return _IMP_core.get_dihedral(a, b, c, d)
2232 r"""Proxy of C++ IMP::core::XYZR class."""
2234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2236 def __init__(self, *args):
2238 __init__(XYZR self) -> XYZR
2239 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2240 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2242 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2244 def show(self, *args):
2245 r"""show(XYZR self, _ostream out=std::cout)"""
2246 return _IMP_core.XYZR_show(self, *args)
2249 def setup_particle(*args):
2251 setup_particle(Model m, ParticleIndex pi) -> XYZR
2252 setup_particle(_ParticleAdaptor pa) -> XYZR
2253 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2254 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2255 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2256 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2258 return _IMP_core.XYZR_setup_particle(*args)
2261 def get_is_setup(*args):
2263 get_is_setup(_ParticleAdaptor p) -> bool
2264 get_is_setup(Model m, ParticleIndex pi) -> bool
2266 return _IMP_core.XYZR_get_is_setup(*args)
2268 def get_radius(self):
2269 r"""get_radius(XYZR self) -> double"""
2270 return _IMP_core.XYZR_get_radius(self)
2272 def set_radius(self, r):
2273 r"""set_radius(XYZR self, double r)"""
2274 return _IMP_core.XYZR_set_radius(self, r)
2276 def get_sphere(self):
2277 r"""get_sphere(XYZR self) -> Sphere3D"""
2278 return _IMP_core.XYZR_get_sphere(self)
2280 def set_sphere(self, s):
2281 r"""set_sphere(XYZR self, Sphere3D s)"""
2282 return _IMP_core.XYZR_set_sphere(self, s)
2285 def get_radius_key():
2286 r"""get_radius_key() -> FloatKey"""
2287 return _IMP_core.XYZR_get_radius_key()
2289 def add_to_radius_derivative(self, v, d):
2290 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2291 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2293 def add_attribute(self, *args):
2295 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2296 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2297 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2298 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2299 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2300 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2301 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2302 add_attribute(XYZR self, ObjectKey a0, Object a1)
2303 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2304 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2305 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2306 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2308 return _IMP_core.XYZR_add_attribute(self, *args)
2310 def get_value(self, *args):
2312 get_value(XYZR self, FloatKey a0) -> IMP::Float
2313 get_value(XYZR self, IntKey a0) -> IMP::Int
2314 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2315 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2316 get_value(XYZR self, StringKey a0) -> IMP::String
2317 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2318 get_value(XYZR self, ObjectKey a0) -> Object
2319 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2320 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2321 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2322 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2324 return _IMP_core.XYZR_get_value(self, *args)
2326 def set_value(self, *args):
2328 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2329 set_value(XYZR self, IntKey a0, IMP::Int a1)
2330 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2331 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2332 set_value(XYZR self, StringKey a0, IMP::String a1)
2333 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2334 set_value(XYZR self, ObjectKey a0, Object a1)
2335 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2336 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2337 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2338 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2340 return _IMP_core.XYZR_set_value(self, *args)
2342 def remove_attribute(self, *args):
2344 remove_attribute(XYZR self, FloatKey a0)
2345 remove_attribute(XYZR self, IntKey a0)
2346 remove_attribute(XYZR self, FloatsKey a0)
2347 remove_attribute(XYZR self, IntsKey a0)
2348 remove_attribute(XYZR self, StringKey a0)
2349 remove_attribute(XYZR self, ParticleIndexKey a0)
2350 remove_attribute(XYZR self, ObjectKey a0)
2351 remove_attribute(XYZR self, SparseFloatKey a0)
2352 remove_attribute(XYZR self, SparseIntKey a0)
2353 remove_attribute(XYZR self, SparseStringKey a0)
2354 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2356 return _IMP_core.XYZR_remove_attribute(self, *args)
2358 def has_attribute(self, *args):
2360 has_attribute(XYZR self, FloatKey a0) -> bool
2361 has_attribute(XYZR self, IntKey a0) -> bool
2362 has_attribute(XYZR self, FloatsKey a0) -> bool
2363 has_attribute(XYZR self, IntsKey a0) -> bool
2364 has_attribute(XYZR self, StringKey a0) -> bool
2365 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2366 has_attribute(XYZR self, ObjectKey a0) -> bool
2367 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2368 has_attribute(XYZR self, SparseIntKey a0) -> bool
2369 has_attribute(XYZR self, SparseStringKey a0) -> bool
2370 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2372 return _IMP_core.XYZR_has_attribute(self, *args)
2374 def get_derivative(self, a0):
2375 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2376 return _IMP_core.XYZR_get_derivative(self, a0)
2379 r"""get_name(XYZR self) -> std::string"""
2380 return _IMP_core.XYZR_get_name(self)
2382 def clear_caches(self):
2383 r"""clear_caches(XYZR self)"""
2384 return _IMP_core.XYZR_clear_caches(self)
2386 def set_name(self, a0):
2387 r"""set_name(XYZR self, std::string a0)"""
2388 return _IMP_core.XYZR_set_name(self, a0)
2391 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2392 return _IMP_core.XYZR_set_check_level(self, a0)
2394 def add_to_derivative(self, a0, a1, a2):
2395 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2396 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2398 def set_is_optimized(self, a0, a1):
2399 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2400 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2402 def get_is_optimized(self, a0):
2403 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2404 return _IMP_core.XYZR_get_is_optimized(self, a0)
2407 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2408 return _IMP_core.XYZR_get_check_level(self)
2410 def __eq__(self, *args):
2412 __eq__(XYZR self, XYZR o) -> bool
2413 __eq__(XYZR self, Particle d) -> bool
2415 return _IMP_core.XYZR___eq__(self, *args)
2417 def __ne__(self, *args):
2419 __ne__(XYZR self, XYZR o) -> bool
2420 __ne__(XYZR self, Particle d) -> bool
2422 return _IMP_core.XYZR___ne__(self, *args)
2424 def __le__(self, *args):
2426 __le__(XYZR self, XYZR o) -> bool
2427 __le__(XYZR self, Particle d) -> bool
2429 return _IMP_core.XYZR___le__(self, *args)
2431 def __lt__(self, *args):
2433 __lt__(XYZR self, XYZR o) -> bool
2434 __lt__(XYZR self, Particle d) -> bool
2436 return _IMP_core.XYZR___lt__(self, *args)
2438 def __ge__(self, *args):
2440 __ge__(XYZR self, XYZR o) -> bool
2441 __ge__(XYZR self, Particle d) -> bool
2443 return _IMP_core.XYZR___ge__(self, *args)
2445 def __gt__(self, *args):
2447 __gt__(XYZR self, XYZR o) -> bool
2448 __gt__(XYZR self, Particle d) -> bool
2450 return _IMP_core.XYZR___gt__(self, *args)
2453 r"""__hash__(XYZR self) -> std::size_t"""
2454 return _IMP_core.XYZR___hash__(self)
2457 r"""__str__(XYZR self) -> std::string"""
2458 return _IMP_core.XYZR___str__(self)
2461 r"""__repr__(XYZR self) -> std::string"""
2462 return _IMP_core.XYZR___repr__(self)
2464 def _get_as_binary(self):
2465 r"""_get_as_binary(XYZR self) -> PyObject *"""
2466 return _IMP_core.XYZR__get_as_binary(self)
2468 def _set_from_binary(self, p):
2469 r"""_set_from_binary(XYZR self, PyObject * p)"""
2470 return _IMP_core.XYZR__set_from_binary(self, p)
2472 def __getstate__(self):
2473 p = self._get_as_binary()
2474 if len(self.__dict__) > 1:
2475 d = self.__dict__.copy()
2480 def __setstate__(self, p):
2481 if not hasattr(self,
'this'):
2483 if isinstance(p, tuple):
2485 self.__dict__.update(d)
2486 return self._set_from_binary(p)
2488 __swig_destroy__ = _IMP_core.delete_XYZR
2491 _IMP_core.XYZR_swigregister(XYZR)
2494 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2495 return _IMP_core.set_enclosing_sphere(b, v, slack)
2498 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2499 return _IMP_core.set_enclosing_radius(b, v)
2502 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2503 return _IMP_core.get_enclosing_sphere(v)
2506 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2507 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2509 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2511 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2513 def __init__(self, *args):
2515 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2516 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2518 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2520 def get_version_info(self):
2521 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2522 return _IMP_core.XYZRGeometry_get_version_info(self)
2523 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2526 r"""__str__(XYZRGeometry self) -> std::string"""
2527 return _IMP_core.XYZRGeometry___str__(self)
2530 r"""__repr__(XYZRGeometry self) -> std::string"""
2531 return _IMP_core.XYZRGeometry___repr__(self)
2535 return _object_cast_to_XYZRGeometry(o)
2539 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2541 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2545 def __init__(self, sc):
2546 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2547 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2549 def get_version_info(self):
2550 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2551 return _IMP_core.XYZRsGeometry_get_version_info(self)
2552 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2555 r"""__str__(XYZRsGeometry self) -> std::string"""
2556 return _IMP_core.XYZRsGeometry___str__(self)
2559 r"""__repr__(XYZRsGeometry self) -> std::string"""
2560 return _IMP_core.XYZRsGeometry___repr__(self)
2564 return _object_cast_to_XYZRsGeometry(o)
2568 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2570 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2574 def __init__(self, *args):
2576 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2577 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2579 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2581 def get_version_info(self):
2582 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2583 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2584 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2587 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2588 return _IMP_core.XYZDerivativeGeometry___str__(self)
2591 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2592 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2596 return _object_cast_to_XYZDerivativeGeometry(o)
2600 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2602 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2604 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2606 def __init__(self, sc):
2607 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2608 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2610 def get_version_info(self):
2611 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2612 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2613 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2616 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2617 return _IMP_core.XYZDerivativesGeometry___str__(self)
2620 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2621 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2625 return _object_cast_to_XYZDerivativesGeometry(o)
2629 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2631 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2633 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2635 def __init__(self, pp):
2636 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2637 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2639 def get_version_info(self):
2640 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2641 return _IMP_core.EdgePairGeometry_get_version_info(self)
2642 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2645 r"""__str__(EdgePairGeometry self) -> std::string"""
2646 return _IMP_core.EdgePairGeometry___str__(self)
2649 r"""__repr__(EdgePairGeometry self) -> std::string"""
2650 return _IMP_core.EdgePairGeometry___repr__(self)
2654 return _object_cast_to_EdgePairGeometry(o)
2658 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2660 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2664 def __init__(self, sc):
2665 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2666 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2668 def get_version_info(self):
2669 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2670 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2671 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2674 r"""__str__(EdgePairsGeometry self) -> std::string"""
2675 return _IMP_core.EdgePairsGeometry___str__(self)
2678 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2679 return _IMP_core.EdgePairsGeometry___repr__(self)
2683 return _object_cast_to_EdgePairsGeometry(o)
2687 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2689 r"""Proxy of C++ IMP::core::Direction class."""
2691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2694 def do_setup_particle(m, pi, v):
2695 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2696 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2698 def __init__(self, *args):
2700 __init__(Direction self) -> Direction
2701 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2702 __init__(Direction self, _ParticleAdaptor d) -> Direction
2704 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2706 def show(self, *args):
2707 r"""show(Direction self, _ostream out=std::cout)"""
2708 return _IMP_core.Direction_show(self, *args)
2711 def setup_particle(*args):
2713 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2714 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2716 return _IMP_core.Direction_setup_particle(*args)
2719 def get_is_setup(*args):
2721 get_is_setup(_ParticleAdaptor p) -> bool
2722 get_is_setup(Model m, ParticleIndex pi) -> bool
2724 return _IMP_core.Direction_get_is_setup(*args)
2727 def get_direction_key(i):
2728 r"""get_direction_key(unsigned int i) -> FloatKey"""
2729 return _IMP_core.Direction_get_direction_key(i)
2731 def get_direction_derivative(self, i):
2732 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2733 return _IMP_core.Direction_get_direction_derivative(self, i)
2735 def get_direction_derivatives(self):
2736 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2737 return _IMP_core.Direction_get_direction_derivatives(self)
2739 def add_to_direction_derivative(self, i, v, d):
2740 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2741 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2743 def add_to_direction_derivatives(self, v, d):
2744 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2745 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2747 def get_direction_is_optimized(self):
2748 r"""get_direction_is_optimized(Direction self) -> bool"""
2749 return _IMP_core.Direction_get_direction_is_optimized(self)
2751 def set_direction_is_optimized(self, tf):
2752 r"""set_direction_is_optimized(Direction self, bool tf)"""
2753 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2755 def get_direction(self):
2756 r"""get_direction(Direction self) -> Vector3D"""
2757 return _IMP_core.Direction_get_direction(self)
2759 def set_direction(self, v):
2760 r"""set_direction(Direction self, Vector3D v)"""
2761 return _IMP_core.Direction_set_direction(self, v)
2764 r"""reflect(Direction self)"""
2765 return _IMP_core.Direction_reflect(self)
2767 def add_attribute(self, *args):
2769 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2770 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2771 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2772 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2773 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2774 add_attribute(Direction self, StringKey a0, IMP::String a1)
2775 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2776 add_attribute(Direction self, ObjectKey a0, Object a1)
2777 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2778 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2779 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2780 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2782 return _IMP_core.Direction_add_attribute(self, *args)
2784 def get_value(self, *args):
2786 get_value(Direction self, FloatKey a0) -> IMP::Float
2787 get_value(Direction self, IntKey a0) -> IMP::Int
2788 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2789 get_value(Direction self, IntsKey a0) -> IMP::Ints
2790 get_value(Direction self, StringKey a0) -> IMP::String
2791 get_value(Direction self, ParticleIndexKey a0) -> Particle
2792 get_value(Direction self, ObjectKey a0) -> Object
2793 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2794 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2795 get_value(Direction self, SparseStringKey a0) -> IMP::String
2796 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2798 return _IMP_core.Direction_get_value(self, *args)
2800 def set_value(self, *args):
2802 set_value(Direction self, FloatKey a0, IMP::Float a1)
2803 set_value(Direction self, IntKey a0, IMP::Int a1)
2804 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2805 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2806 set_value(Direction self, StringKey a0, IMP::String a1)
2807 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2808 set_value(Direction self, ObjectKey a0, Object a1)
2809 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2810 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2811 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2812 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2814 return _IMP_core.Direction_set_value(self, *args)
2816 def remove_attribute(self, *args):
2818 remove_attribute(Direction self, FloatKey a0)
2819 remove_attribute(Direction self, IntKey a0)
2820 remove_attribute(Direction self, FloatsKey a0)
2821 remove_attribute(Direction self, IntsKey a0)
2822 remove_attribute(Direction self, StringKey a0)
2823 remove_attribute(Direction self, ParticleIndexKey a0)
2824 remove_attribute(Direction self, ObjectKey a0)
2825 remove_attribute(Direction self, SparseFloatKey a0)
2826 remove_attribute(Direction self, SparseIntKey a0)
2827 remove_attribute(Direction self, SparseStringKey a0)
2828 remove_attribute(Direction self, SparseParticleIndexKey a0)
2830 return _IMP_core.Direction_remove_attribute(self, *args)
2832 def has_attribute(self, *args):
2834 has_attribute(Direction self, FloatKey a0) -> bool
2835 has_attribute(Direction self, IntKey a0) -> bool
2836 has_attribute(Direction self, FloatsKey a0) -> bool
2837 has_attribute(Direction self, IntsKey a0) -> bool
2838 has_attribute(Direction self, StringKey a0) -> bool
2839 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2840 has_attribute(Direction self, ObjectKey a0) -> bool
2841 has_attribute(Direction self, SparseFloatKey a0) -> bool
2842 has_attribute(Direction self, SparseIntKey a0) -> bool
2843 has_attribute(Direction self, SparseStringKey a0) -> bool
2844 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2846 return _IMP_core.Direction_has_attribute(self, *args)
2848 def get_derivative(self, a0):
2849 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2850 return _IMP_core.Direction_get_derivative(self, a0)
2853 r"""get_name(Direction self) -> std::string"""
2854 return _IMP_core.Direction_get_name(self)
2856 def clear_caches(self):
2857 r"""clear_caches(Direction self)"""
2858 return _IMP_core.Direction_clear_caches(self)
2860 def set_name(self, a0):
2861 r"""set_name(Direction self, std::string a0)"""
2862 return _IMP_core.Direction_set_name(self, a0)
2865 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2866 return _IMP_core.Direction_set_check_level(self, a0)
2868 def add_to_derivative(self, a0, a1, a2):
2869 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2870 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2872 def set_is_optimized(self, a0, a1):
2873 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2874 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2876 def get_is_optimized(self, a0):
2877 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2878 return _IMP_core.Direction_get_is_optimized(self, a0)
2881 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2882 return _IMP_core.Direction_get_check_level(self)
2884 def __eq__(self, *args):
2886 __eq__(Direction self, Direction o) -> bool
2887 __eq__(Direction self, Particle d) -> bool
2889 return _IMP_core.Direction___eq__(self, *args)
2891 def __ne__(self, *args):
2893 __ne__(Direction self, Direction o) -> bool
2894 __ne__(Direction self, Particle d) -> bool
2896 return _IMP_core.Direction___ne__(self, *args)
2898 def __le__(self, *args):
2900 __le__(Direction self, Direction o) -> bool
2901 __le__(Direction self, Particle d) -> bool
2903 return _IMP_core.Direction___le__(self, *args)
2905 def __lt__(self, *args):
2907 __lt__(Direction self, Direction o) -> bool
2908 __lt__(Direction self, Particle d) -> bool
2910 return _IMP_core.Direction___lt__(self, *args)
2912 def __ge__(self, *args):
2914 __ge__(Direction self, Direction o) -> bool
2915 __ge__(Direction self, Particle d) -> bool
2917 return _IMP_core.Direction___ge__(self, *args)
2919 def __gt__(self, *args):
2921 __gt__(Direction self, Direction o) -> bool
2922 __gt__(Direction self, Particle d) -> bool
2924 return _IMP_core.Direction___gt__(self, *args)
2927 r"""__hash__(Direction self) -> std::size_t"""
2928 return _IMP_core.Direction___hash__(self)
2931 r"""__str__(Direction self) -> std::string"""
2932 return _IMP_core.Direction___str__(self)
2935 r"""__repr__(Direction self) -> std::string"""
2936 return _IMP_core.Direction___repr__(self)
2938 def _get_as_binary(self):
2939 r"""_get_as_binary(Direction self) -> PyObject *"""
2940 return _IMP_core.Direction__get_as_binary(self)
2942 def _set_from_binary(self, p):
2943 r"""_set_from_binary(Direction self, PyObject * p)"""
2944 return _IMP_core.Direction__set_from_binary(self, p)
2946 def __getstate__(self):
2947 p = self._get_as_binary()
2948 if len(self.__dict__) > 1:
2949 d = self.__dict__.copy()
2954 def __setstate__(self, p):
2955 if not hasattr(self,
'this'):
2957 if isinstance(p, tuple):
2959 self.__dict__.update(d)
2960 return self._set_from_binary(p)
2962 __swig_destroy__ = _IMP_core.delete_Direction
2965 _IMP_core.Direction_swigregister(Direction)
2968 r"""get_angle(Direction a, Direction b) -> double"""
2969 return _IMP_core.get_angle(a, b)
2971 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2975 def __init__(self, *args):
2977 __init__(DirectionAngle self) -> DirectionAngle
2978 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2979 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2981 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2983 def show(self, *args):
2984 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2985 return _IMP_core.DirectionAngle_show(self, *args)
2988 def setup_particle(*args):
2990 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2991 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2992 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2993 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2995 return _IMP_core.DirectionAngle_setup_particle(*args)
2998 def get_is_setup(*args):
3000 get_is_setup(_ParticleAdaptor p) -> bool
3001 get_is_setup(Model m, ParticleIndex pi) -> bool
3003 return _IMP_core.DirectionAngle_get_is_setup(*args)
3006 def get_angle_key():
3007 r"""get_angle_key() -> FloatKey"""
3008 return _IMP_core.DirectionAngle_get_angle_key()
3011 def get_particle_key(i):
3012 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3013 return _IMP_core.DirectionAngle_get_particle_key(i)
3015 def get_particle(self, *args):
3017 get_particle(DirectionAngle self, unsigned int i) -> Particle
3018 get_particle(DirectionAngle self) -> Particle
3020 return _IMP_core.DirectionAngle_get_particle(self, *args)
3022 def get_particle_index(self, *args):
3024 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3025 get_particle_index(DirectionAngle self) -> ParticleIndex
3027 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3030 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3031 return _IMP_core.DirectionAngle_get_angle(self)
3033 def get_angle_derivative(self):
3034 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3035 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3037 def add_to_angle_derivative(self, v, d):
3038 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3039 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3041 def add_attribute(self, *args):
3043 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3044 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3045 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3046 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3047 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3048 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3049 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3050 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3051 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3052 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3053 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3054 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3056 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3058 def get_value(self, *args):
3060 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3061 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3062 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3063 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3064 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3065 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3066 get_value(DirectionAngle self, ObjectKey a0) -> Object
3067 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3068 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3069 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3070 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3072 return _IMP_core.DirectionAngle_get_value(self, *args)
3074 def set_value(self, *args):
3076 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3077 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3078 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3079 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3080 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3081 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3082 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3083 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3084 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3085 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3086 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3088 return _IMP_core.DirectionAngle_set_value(self, *args)
3090 def remove_attribute(self, *args):
3092 remove_attribute(DirectionAngle self, FloatKey a0)
3093 remove_attribute(DirectionAngle self, IntKey a0)
3094 remove_attribute(DirectionAngle self, FloatsKey a0)
3095 remove_attribute(DirectionAngle self, IntsKey a0)
3096 remove_attribute(DirectionAngle self, StringKey a0)
3097 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3098 remove_attribute(DirectionAngle self, ObjectKey a0)
3099 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3100 remove_attribute(DirectionAngle self, SparseIntKey a0)
3101 remove_attribute(DirectionAngle self, SparseStringKey a0)
3102 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3104 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3106 def has_attribute(self, *args):
3108 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3109 has_attribute(DirectionAngle self, IntKey a0) -> bool
3110 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3111 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3112 has_attribute(DirectionAngle self, StringKey a0) -> bool
3113 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3114 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3115 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3116 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3117 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3118 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3120 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3122 def get_derivative(self, a0):
3123 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3124 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3127 r"""get_name(DirectionAngle self) -> std::string"""
3128 return _IMP_core.DirectionAngle_get_name(self)
3130 def clear_caches(self):
3131 r"""clear_caches(DirectionAngle self)"""
3132 return _IMP_core.DirectionAngle_clear_caches(self)
3134 def set_name(self, a0):
3135 r"""set_name(DirectionAngle self, std::string a0)"""
3136 return _IMP_core.DirectionAngle_set_name(self, a0)
3139 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3140 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3142 def add_to_derivative(self, a0, a1, a2):
3143 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3144 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3146 def set_is_optimized(self, a0, a1):
3147 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3148 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3150 def get_is_optimized(self, a0):
3151 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3152 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3155 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3156 return _IMP_core.DirectionAngle_get_check_level(self)
3158 def __eq__(self, *args):
3160 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3161 __eq__(DirectionAngle self, Particle d) -> bool
3163 return _IMP_core.DirectionAngle___eq__(self, *args)
3165 def __ne__(self, *args):
3167 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3168 __ne__(DirectionAngle self, Particle d) -> bool
3170 return _IMP_core.DirectionAngle___ne__(self, *args)
3172 def __le__(self, *args):
3174 __le__(DirectionAngle self, DirectionAngle o) -> bool
3175 __le__(DirectionAngle self, Particle d) -> bool
3177 return _IMP_core.DirectionAngle___le__(self, *args)
3179 def __lt__(self, *args):
3181 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3182 __lt__(DirectionAngle self, Particle d) -> bool
3184 return _IMP_core.DirectionAngle___lt__(self, *args)
3186 def __ge__(self, *args):
3188 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3189 __ge__(DirectionAngle self, Particle d) -> bool
3191 return _IMP_core.DirectionAngle___ge__(self, *args)
3193 def __gt__(self, *args):
3195 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3196 __gt__(DirectionAngle self, Particle d) -> bool
3198 return _IMP_core.DirectionAngle___gt__(self, *args)
3201 r"""__hash__(DirectionAngle self) -> std::size_t"""
3202 return _IMP_core.DirectionAngle___hash__(self)
3205 r"""__str__(DirectionAngle self) -> std::string"""
3206 return _IMP_core.DirectionAngle___str__(self)
3209 r"""__repr__(DirectionAngle self) -> std::string"""
3210 return _IMP_core.DirectionAngle___repr__(self)
3212 def _get_as_binary(self):
3213 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3214 return _IMP_core.DirectionAngle__get_as_binary(self)
3216 def _set_from_binary(self, p):
3217 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3218 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3220 def __getstate__(self):
3221 p = self._get_as_binary()
3222 if len(self.__dict__) > 1:
3223 d = self.__dict__.copy()
3228 def __setstate__(self, p):
3229 if not hasattr(self,
'this'):
3231 if isinstance(p, tuple):
3233 self.__dict__.update(d)
3234 return self._set_from_binary(p)
3236 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3239 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3241 r"""Proxy of C++ IMP::core::Surface class."""
3243 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3246 def do_setup_particle(*args):
3248 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3249 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3251 return _IMP_core.Surface_do_setup_particle(*args)
3253 def __init__(self, *args):
3255 __init__(Surface self) -> Surface
3256 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3257 __init__(Surface self, _ParticleAdaptor d) -> Surface
3259 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3261 def show(self, *args):
3262 r"""show(Surface self, _ostream out=std::cout)"""
3263 return _IMP_core.Surface_show(self, *args)
3266 def setup_particle(*args):
3268 setup_particle(Model m, ParticleIndex pi) -> Surface
3269 setup_particle(_ParticleAdaptor pa) -> Surface
3270 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3271 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3272 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3273 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3274 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3275 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3277 return _IMP_core.Surface_setup_particle(*args)
3279 def get_normal_x(self):
3280 r"""get_normal_x(Surface self) -> IMP::Float"""
3281 return _IMP_core.Surface_get_normal_x(self)
3283 def set_normal_x(self, t):
3284 r"""set_normal_x(Surface self, IMP::Float t)"""
3285 return _IMP_core.Surface_set_normal_x(self, t)
3287 def get_normal_y(self):
3288 r"""get_normal_y(Surface self) -> IMP::Float"""
3289 return _IMP_core.Surface_get_normal_y(self)
3291 def set_normal_y(self, t):
3292 r"""set_normal_y(Surface self, IMP::Float t)"""
3293 return _IMP_core.Surface_set_normal_y(self, t)
3295 def get_normal_z(self):
3296 r"""get_normal_z(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_z(self)
3299 def set_normal_z(self, t):
3300 r"""set_normal_z(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_z(self, t)
3304 def get_is_setup(*args):
3306 get_is_setup(_ParticleAdaptor p) -> bool
3307 get_is_setup(Model m, ParticleIndex pi) -> bool
3309 return _IMP_core.Surface_get_is_setup(*args)
3312 def get_normal_key(i):
3313 r"""get_normal_key(unsigned int i) -> FloatKey"""
3314 return _IMP_core.Surface_get_normal_key(i)
3316 def get_normal_derivative(self, i):
3317 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3318 return _IMP_core.Surface_get_normal_derivative(self, i)
3320 def get_normal_derivatives(self):
3321 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3322 return _IMP_core.Surface_get_normal_derivatives(self)
3324 def add_to_normal_derivative(self, i, v, d):
3325 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3326 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3328 def add_to_normal_derivatives(self, v, d):
3329 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3330 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3332 def get_normal_is_optimized(self):
3333 r"""get_normal_is_optimized(Surface self) -> bool"""
3334 return _IMP_core.Surface_get_normal_is_optimized(self)
3336 def set_normal_is_optimized(self, tf):
3337 r"""set_normal_is_optimized(Surface self, bool tf)"""
3338 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3340 def get_normal(self):
3341 r"""get_normal(Surface self) -> Vector3D"""
3342 return _IMP_core.Surface_get_normal(self)
3344 def set_normal(self, normal):
3345 r"""set_normal(Surface self, Vector3D normal)"""
3346 return _IMP_core.Surface_set_normal(self, normal)
3349 r"""reflect(Surface self)"""
3350 return _IMP_core.Surface_reflect(self)
3353 r"""get_height(Surface self, Vector3D v) -> double"""
3354 return _IMP_core.Surface_get_height(self, v)
3357 r"""get_depth(Surface self, Vector3D v) -> double"""
3358 return _IMP_core.Surface_get_depth(self, v)
3360 def get_distance_to(self, v):
3361 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3362 return _IMP_core.Surface_get_distance_to(self, v)
3364 def get_distance_to_center(self, v):
3365 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3366 return _IMP_core.Surface_get_distance_to_center(self, v)
3368 def set_reference_frame(self, rf):
3369 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3370 return _IMP_core.Surface_set_reference_frame(self, rf)
3372 def get_reference_frame(self):
3373 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3374 return _IMP_core.Surface_get_reference_frame(self)
3376 def get_plane(self):
3377 r"""get_plane(Surface self) -> Plane3D"""
3378 return _IMP_core.Surface_get_plane(self)
3380 def add_attribute(self, *args):
3382 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3383 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3384 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3385 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3386 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3387 add_attribute(Surface self, StringKey a0, IMP::String a1)
3388 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3389 add_attribute(Surface self, ObjectKey a0, Object a1)
3390 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3391 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3392 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3393 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3395 return _IMP_core.Surface_add_attribute(self, *args)
3397 def get_value(self, *args):
3399 get_value(Surface self, FloatKey a0) -> IMP::Float
3400 get_value(Surface self, IntKey a0) -> IMP::Int
3401 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3402 get_value(Surface self, IntsKey a0) -> IMP::Ints
3403 get_value(Surface self, StringKey a0) -> IMP::String
3404 get_value(Surface self, ParticleIndexKey a0) -> Particle
3405 get_value(Surface self, ObjectKey a0) -> Object
3406 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3407 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3408 get_value(Surface self, SparseStringKey a0) -> IMP::String
3409 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3411 return _IMP_core.Surface_get_value(self, *args)
3413 def set_value(self, *args):
3415 set_value(Surface self, FloatKey a0, IMP::Float a1)
3416 set_value(Surface self, IntKey a0, IMP::Int a1)
3417 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3418 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3419 set_value(Surface self, StringKey a0, IMP::String a1)
3420 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3421 set_value(Surface self, ObjectKey a0, Object a1)
3422 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3423 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3424 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3425 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3427 return _IMP_core.Surface_set_value(self, *args)
3429 def remove_attribute(self, *args):
3431 remove_attribute(Surface self, FloatKey a0)
3432 remove_attribute(Surface self, IntKey a0)
3433 remove_attribute(Surface self, FloatsKey a0)
3434 remove_attribute(Surface self, IntsKey a0)
3435 remove_attribute(Surface self, StringKey a0)
3436 remove_attribute(Surface self, ParticleIndexKey a0)
3437 remove_attribute(Surface self, ObjectKey a0)
3438 remove_attribute(Surface self, SparseFloatKey a0)
3439 remove_attribute(Surface self, SparseIntKey a0)
3440 remove_attribute(Surface self, SparseStringKey a0)
3441 remove_attribute(Surface self, SparseParticleIndexKey a0)
3443 return _IMP_core.Surface_remove_attribute(self, *args)
3445 def has_attribute(self, *args):
3447 has_attribute(Surface self, FloatKey a0) -> bool
3448 has_attribute(Surface self, IntKey a0) -> bool
3449 has_attribute(Surface self, FloatsKey a0) -> bool
3450 has_attribute(Surface self, IntsKey a0) -> bool
3451 has_attribute(Surface self, StringKey a0) -> bool
3452 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3453 has_attribute(Surface self, ObjectKey a0) -> bool
3454 has_attribute(Surface self, SparseFloatKey a0) -> bool
3455 has_attribute(Surface self, SparseIntKey a0) -> bool
3456 has_attribute(Surface self, SparseStringKey a0) -> bool
3457 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3459 return _IMP_core.Surface_has_attribute(self, *args)
3461 def get_derivative(self, a0):
3462 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3463 return _IMP_core.Surface_get_derivative(self, a0)
3466 r"""get_name(Surface self) -> std::string"""
3467 return _IMP_core.Surface_get_name(self)
3469 def clear_caches(self):
3470 r"""clear_caches(Surface self)"""
3471 return _IMP_core.Surface_clear_caches(self)
3473 def set_name(self, a0):
3474 r"""set_name(Surface self, std::string a0)"""
3475 return _IMP_core.Surface_set_name(self, a0)
3478 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3479 return _IMP_core.Surface_set_check_level(self, a0)
3481 def add_to_derivative(self, a0, a1, a2):
3482 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3483 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3485 def set_is_optimized(self, a0, a1):
3486 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3487 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3489 def get_is_optimized(self, a0):
3490 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3491 return _IMP_core.Surface_get_is_optimized(self, a0)
3494 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3495 return _IMP_core.Surface_get_check_level(self)
3497 def __eq__(self, *args):
3499 __eq__(Surface self, Surface o) -> bool
3500 __eq__(Surface self, Particle d) -> bool
3502 return _IMP_core.Surface___eq__(self, *args)
3504 def __ne__(self, *args):
3506 __ne__(Surface self, Surface o) -> bool
3507 __ne__(Surface self, Particle d) -> bool
3509 return _IMP_core.Surface___ne__(self, *args)
3511 def __le__(self, *args):
3513 __le__(Surface self, Surface o) -> bool
3514 __le__(Surface self, Particle d) -> bool
3516 return _IMP_core.Surface___le__(self, *args)
3518 def __lt__(self, *args):
3520 __lt__(Surface self, Surface o) -> bool
3521 __lt__(Surface self, Particle d) -> bool
3523 return _IMP_core.Surface___lt__(self, *args)
3525 def __ge__(self, *args):
3527 __ge__(Surface self, Surface o) -> bool
3528 __ge__(Surface self, Particle d) -> bool
3530 return _IMP_core.Surface___ge__(self, *args)
3532 def __gt__(self, *args):
3534 __gt__(Surface self, Surface o) -> bool
3535 __gt__(Surface self, Particle d) -> bool
3537 return _IMP_core.Surface___gt__(self, *args)
3540 r"""__hash__(Surface self) -> std::size_t"""
3541 return _IMP_core.Surface___hash__(self)
3544 r"""__str__(Surface self) -> std::string"""
3545 return _IMP_core.Surface___str__(self)
3548 r"""__repr__(Surface self) -> std::string"""
3549 return _IMP_core.Surface___repr__(self)
3551 def _get_as_binary(self):
3552 r"""_get_as_binary(Surface self) -> PyObject *"""
3553 return _IMP_core.Surface__get_as_binary(self)
3555 def _set_from_binary(self, p):
3556 r"""_set_from_binary(Surface self, PyObject * p)"""
3557 return _IMP_core.Surface__set_from_binary(self, p)
3559 def __getstate__(self):
3560 p = self._get_as_binary()
3561 if len(self.__dict__) > 1:
3562 d = self.__dict__.copy()
3567 def __setstate__(self, p):
3568 if not hasattr(self,
'this'):
3570 if isinstance(p, tuple):
3572 self.__dict__.update(d)
3573 return self._set_from_binary(p)
3575 __swig_destroy__ = _IMP_core.delete_Surface
3578 _IMP_core.Surface_swigregister(Surface)
3582 get_height(Surface s, XYZR d) -> double
3583 get_height(Surface s, XYZ d) -> double
3585 return _IMP_core.get_height(*args)
3589 get_depth(Surface s, XYZR d) -> double
3590 get_depth(Surface s, XYZ d) -> double
3592 return _IMP_core.get_depth(*args)
3596 get_distance(XYZ a, XYZ b) -> double
3597 get_distance(XYZR a, XYZR b) -> double
3598 get_distance(Surface s, XYZR d) -> double
3599 get_distance(Surface s, XYZ d) -> double
3601 return _IMP_core.get_distance(*args)
3603 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3607 def __init__(self, *args):
3609 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3610 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3611 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3613 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3615 def get_geometry(self):
3616 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3617 return _IMP_core.SurfaceGeometry_get_geometry(self)
3619 def set_geometry(self, s):
3620 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3621 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3623 def get_version_info(self):
3624 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3625 return _IMP_core.SurfaceGeometry_get_version_info(self)
3626 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3629 r"""__str__(SurfaceGeometry self) -> std::string"""
3630 return _IMP_core.SurfaceGeometry___str__(self)
3633 r"""__repr__(SurfaceGeometry self) -> std::string"""
3634 return _IMP_core.SurfaceGeometry___repr__(self)
3638 return _object_cast_to_SurfaceGeometry(o)
3642 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3645 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3646 return _IMP_core.create_geometry(*args)
3648 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3650 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3652 def __init__(self, s, g):
3653 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3654 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3656 def get_surface(self):
3657 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3658 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3660 def get_geometry(self):
3661 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3662 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3664 def do_get_inputs(self):
3665 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3666 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3668 def do_get_outputs(self):
3669 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3670 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3672 def get_version_info(self):
3673 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3675 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3678 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3679 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3682 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3683 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3687 return _object_cast_to_SurfaceGeometryConstraint(o)
3691 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3694 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3695 return _IMP_core.get_constrained_surface_geometry(*args)
3697 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3699 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3701 def __init__(self, s, d):
3702 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3703 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3705 def do_get_inputs(self):
3706 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3707 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3709 def do_get_outputs(self):
3710 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3711 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3713 def get_version_info(self):
3714 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3715 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3716 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3719 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3720 return _IMP_core.LateralSurfaceConstraint___str__(self)
3723 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3724 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3728 return _object_cast_to_LateralSurfaceConstraint(o)
3732 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3734 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3738 def __init__(self, *args):
3740 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3741 __init__(AngleTripletScore self) -> AngleTripletScore
3743 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3745 def do_get_inputs(self, m, pis):
3746 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3747 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3749 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3750 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"""
3751 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3753 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3754 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"""
3755 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3757 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3758 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"""
3759 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3761 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3762 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"""
3763 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3765 def get_version_info(self):
3766 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3767 return _IMP_core.AngleTripletScore_get_version_info(self)
3768 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3771 r"""__str__(AngleTripletScore self) -> std::string"""
3772 return _IMP_core.AngleTripletScore___str__(self)
3775 r"""__repr__(AngleTripletScore self) -> std::string"""
3776 return _IMP_core.AngleTripletScore___repr__(self)
3780 return _object_cast_to_AngleTripletScore(o)
3783 def _get_as_binary(self):
3784 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3785 return _IMP_core.AngleTripletScore__get_as_binary(self)
3787 def _set_from_binary(self, p):
3788 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3789 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3791 def __getstate__(self):
3792 p = self._get_as_binary()
3793 if len(self.__dict__) > 1:
3794 d = self.__dict__.copy()
3799 def __setstate__(self, p):
3800 if not hasattr(self,
'this'):
3802 if isinstance(p, tuple):
3804 self.__dict__.update(d)
3805 return self._set_from_binary(p)
3809 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3810 class BallMover(MonteCarloMover):
3811 r"""Proxy of C++ IMP::core::BallMover class."""
3813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3815 def __init__(self, *args):
3817 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3818 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3819 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3820 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3821 __init__(BallMover self) -> BallMover
3823 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3825 def set_radius(self, radius):
3826 r"""set_radius(BallMover self, IMP::Float radius)"""
3827 return _IMP_core.BallMover_set_radius(self, radius)
3829 def get_radius(self):
3830 r"""get_radius(BallMover self) -> IMP::Float"""
3831 return _IMP_core.BallMover_get_radius(self)
3834 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3835 return _IMP_core.BallMover_get_indexes(self)
3838 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3839 return _IMP_core.BallMover_get_keys(self)
3841 def get_version_info(self):
3842 r"""get_version_info(BallMover self) -> VersionInfo"""
3843 return _IMP_core.BallMover_get_version_info(self)
3844 __swig_destroy__ = _IMP_core.delete_BallMover
3847 r"""__str__(BallMover self) -> std::string"""
3848 return _IMP_core.BallMover___str__(self)
3851 r"""__repr__(BallMover self) -> std::string"""
3852 return _IMP_core.BallMover___repr__(self)
3856 return _object_cast_to_BallMover(o)
3859 def _get_as_binary(self):
3860 r"""_get_as_binary(BallMover self) -> PyObject *"""
3861 return _IMP_core.BallMover__get_as_binary(self)
3863 def _set_from_binary(self, p):
3864 r"""_set_from_binary(BallMover self, PyObject * p)"""
3865 return _IMP_core.BallMover__set_from_binary(self, p)
3867 def __getstate__(self):
3868 p = self._get_as_binary()
3869 if len(self.__dict__) > 1:
3870 d = self.__dict__.copy()
3875 def __setstate__(self, p):
3876 if not hasattr(self,
'this'):
3878 if isinstance(p, tuple):
3880 self.__dict__.update(d)
3881 return self._set_from_binary(p)
3886 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3887 indexes = self.get_indexes()
3888 keys = frozenset(self.get_keys())
3890 raise NotImplementedError(
"Only works for XYZ")
3891 radius = self.get_radius()
3896 def propose_func(jm, key):
3897 key, subkey = jax.random.split(key)
3898 v = get_random_vector_in_3d_sphere(subkey, radius)
3899 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3901 return self._wrap_jax(init_func, propose_func)
3905 _IMP_core.BallMover_swigregister(BallMover)
3906 class SerialMover(MonteCarloMover):
3907 r"""Proxy of C++ IMP::core::SerialMover class."""
3909 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3911 def __init__(self, *args):
3913 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3914 __init__(SerialMover self) -> SerialMover
3916 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3918 def get_movers(self):
3919 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3920 return _IMP_core.SerialMover_get_movers(self)
3922 def get_version_info(self):
3923 r"""get_version_info(SerialMover self) -> VersionInfo"""
3924 return _IMP_core.SerialMover_get_version_info(self)
3925 __swig_destroy__ = _IMP_core.delete_SerialMover
3928 r"""__str__(SerialMover self) -> std::string"""
3929 return _IMP_core.SerialMover___str__(self)
3932 r"""__repr__(SerialMover self) -> std::string"""
3933 return _IMP_core.SerialMover___repr__(self)
3937 return _object_cast_to_SerialMover(o)
3940 def _get_as_binary(self):
3941 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3942 return _IMP_core.SerialMover__get_as_binary(self)
3944 def _set_from_binary(self, p):
3945 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3946 return _IMP_core.SerialMover__set_from_binary(self, p)
3948 def __getstate__(self):
3949 p = self._get_as_binary()
3950 if len(self.__dict__) > 1:
3951 d = self.__dict__.copy()
3956 def __setstate__(self, p):
3957 if not hasattr(self,
'this'):
3959 if isinstance(p, tuple):
3961 self.__dict__.update(d)
3962 return self._set_from_binary(p)
3968 import jax.numpy
as jnp
3969 from IMP.core._jax_util
import _SerialMover
3970 movers = [m.get_derived_object()._get_jax()
3971 for m
in self.get_movers()]
3973 def sub_propose_func(jm, sms, i):
3974 """Call the propose_func of the ith mover"""
3975 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3976 jm, sms.mover_state[i])
3977 return jm, sms, ratio
3979 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3980 for i
in range(len(movers))]
3986 key, subkey = jax.random.split(key)
3987 mover_state.append(m.init_func(subkey))
3988 return _SerialMover(imov=-1, mover_state=mover_state)
3990 def propose_func(jm, sms):
3991 sms.imov = jnp.mod(sms.imov + 1, len(movers))
3992 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
3993 return self._wrap_jax(init_func, propose_func)
3997 _IMP_core.SerialMover_swigregister(SerialMover)
3998 class SubsetMover(MonteCarloMover):
3999 r"""Proxy of C++ IMP::core::SubsetMover class."""
4001 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4003 def __init__(self, *args):
4005 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4006 __init__(SubsetMover self) -> SubsetMover
4008 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4010 def get_movers(self):
4011 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4012 return _IMP_core.SubsetMover_get_movers(self)
4014 def get_subset_size(self):
4015 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4016 return _IMP_core.SubsetMover_get_subset_size(self)
4018 def get_version_info(self):
4019 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4020 return _IMP_core.SubsetMover_get_version_info(self)
4021 __swig_destroy__ = _IMP_core.delete_SubsetMover
4024 r"""__str__(SubsetMover self) -> std::string"""
4025 return _IMP_core.SubsetMover___str__(self)
4028 r"""__repr__(SubsetMover self) -> std::string"""
4029 return _IMP_core.SubsetMover___repr__(self)
4033 return _object_cast_to_SubsetMover(o)
4036 def _get_as_binary(self):
4037 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4038 return _IMP_core.SubsetMover__get_as_binary(self)
4040 def _set_from_binary(self, p):
4041 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4042 return _IMP_core.SubsetMover__set_from_binary(self, p)
4044 def __getstate__(self):
4045 p = self._get_as_binary()
4046 if len(self.__dict__) > 1:
4047 d = self.__dict__.copy()
4052 def __setstate__(self, p):
4053 if not hasattr(self,
'this'):
4055 if isinstance(p, tuple):
4057 self.__dict__.update(d)
4058 return self._set_from_binary(p)
4062 _IMP_core.SubsetMover_swigregister(SubsetMover)
4063 class DirectionMover(MonteCarloMover):
4064 r"""Proxy of C++ IMP::core::DirectionMover class."""
4066 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4068 def __init__(self, *args):
4070 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4071 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4072 __init__(DirectionMover self) -> DirectionMover
4074 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4076 def set_maximum_rotation(self, mr):
4077 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4078 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4080 def set_reflect_probability(self, rp):
4081 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4082 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4084 def get_maximum_rotation(self):
4085 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4086 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4088 def get_reflect_probability(self):
4089 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4090 return _IMP_core.DirectionMover_get_reflect_probability(self)
4092 def get_direction(self):
4093 r"""get_direction(DirectionMover self) -> Direction"""
4094 return _IMP_core.DirectionMover_get_direction(self)
4096 def get_version_info(self):
4097 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4098 return _IMP_core.DirectionMover_get_version_info(self)
4099 __swig_destroy__ = _IMP_core.delete_DirectionMover
4102 r"""__str__(DirectionMover self) -> std::string"""
4103 return _IMP_core.DirectionMover___str__(self)
4106 r"""__repr__(DirectionMover self) -> std::string"""
4107 return _IMP_core.DirectionMover___repr__(self)
4111 return _object_cast_to_DirectionMover(o)
4114 def _get_as_binary(self):
4115 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4116 return _IMP_core.DirectionMover__get_as_binary(self)
4118 def _set_from_binary(self, p):
4119 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4120 return _IMP_core.DirectionMover__set_from_binary(self, p)
4122 def __getstate__(self):
4123 p = self._get_as_binary()
4124 if len(self.__dict__) > 1:
4125 d = self.__dict__.copy()
4130 def __setstate__(self, p):
4131 if not hasattr(self,
'this'):
4133 if isinstance(p, tuple):
4135 self.__dict__.update(d)
4136 return self._set_from_binary(p)
4140 _IMP_core.DirectionMover_swigregister(DirectionMover)
4141 class SurfaceMover(MonteCarloMover):
4142 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4144 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4146 def __init__(self, *args):
4148 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4149 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4150 __init__(SurfaceMover self) -> SurfaceMover
4152 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4154 def set_maximum_translation(self, mt):
4155 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4156 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4158 def set_maximum_rotation(self, mr):
4159 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4160 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4162 def set_reflect_probability(self, rp):
4163 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4164 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4166 def get_maximum_translation(self):
4167 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4168 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4170 def get_maximum_rotation(self):
4171 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4172 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4174 def get_reflect_probability(self):
4175 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4176 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4178 def get_surface(self):
4179 r"""get_surface(SurfaceMover self) -> Surface"""
4180 return _IMP_core.SurfaceMover_get_surface(self)
4182 def get_version_info(self):
4183 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4184 return _IMP_core.SurfaceMover_get_version_info(self)
4185 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4188 r"""__str__(SurfaceMover self) -> std::string"""
4189 return _IMP_core.SurfaceMover___str__(self)
4192 r"""__repr__(SurfaceMover self) -> std::string"""
4193 return _IMP_core.SurfaceMover___repr__(self)
4197 return _object_cast_to_SurfaceMover(o)
4200 def _get_as_binary(self):
4201 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4202 return _IMP_core.SurfaceMover__get_as_binary(self)
4204 def _set_from_binary(self, p):
4205 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4206 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4208 def __getstate__(self):
4209 p = self._get_as_binary()
4210 if len(self.__dict__) > 1:
4211 d = self.__dict__.copy()
4216 def __setstate__(self, p):
4217 if not hasattr(self,
'this'):
4219 if isinstance(p, tuple):
4221 self.__dict__.update(d)
4222 return self._set_from_binary(p)
4226 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4227 class BoxSweepClosePairsFinder(ClosePairsFinder):
4228 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4233 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4234 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4236 def get_close_pairs(self, *args):
4238 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4239 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4240 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4241 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4243 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4245 def do_get_inputs(self, m, pis):
4246 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4247 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4249 def get_version_info(self):
4250 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4251 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4252 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4255 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4256 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4259 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4260 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4264 return _object_cast_to_BoxSweepClosePairsFinder(o)
4268 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4270 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4272 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4274 def __init__(self, *args):
4275 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4276 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4278 def get_refiner(self):
4279 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4280 return _IMP_core.CentroidOfRefined_get_refiner(self)
4282 def get_weight(self):
4283 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4284 return _IMP_core.CentroidOfRefined_get_weight(self)
4287 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4288 return _IMP_core.CentroidOfRefined_get_keys(self)
4290 def get_is_weight_null(self):
4291 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4292 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4294 def do_get_inputs(self, m, pis):
4295 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4296 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4298 def do_get_outputs(self, m, pis):
4299 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4300 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4302 def get_version_info(self):
4303 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4304 return _IMP_core.CentroidOfRefined_get_version_info(self)
4305 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4308 r"""__str__(CentroidOfRefined self) -> std::string"""
4309 return _IMP_core.CentroidOfRefined___str__(self)
4312 r"""__repr__(CentroidOfRefined self) -> std::string"""
4313 return _IMP_core.CentroidOfRefined___repr__(self)
4317 return _object_cast_to_CentroidOfRefined(o)
4320 def _get_jax(self, m, indexes):
4321 import jax.numpy
as jnp
4324 for index
in indexes]
4326 def apply_func_unweighted(jm):
4327 for ind, ref
in zip(indexes, refined):
4329 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4332 def apply_func_weighted(jm, weight_key):
4333 for ind, ref
in zip(indexes, refined):
4335 weights = jm[weight_key][ref]
4336 jm[
'xyz'] = xyz.at[ind].set(
4337 jnp.average(xyz[ref], axis=0, weights=weights))
4340 keys = frozenset(self.get_keys())
4342 raise NotImplementedError(
"Only works for XYZ")
4344 if self.get_is_weight_null():
4345 return self._wrap_jax(apply_func_unweighted)
4347 weight_key = self.get_weight()
4348 return self._wrap_jax(
4349 functools.partial(apply_func_weighted,
4350 weight_key=weight_key.get_string()),
4355 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4356 class Centroid(XYZ):
4357 r"""Proxy of C++ IMP::core::Centroid class."""
4359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4361 def get_constraint(self):
4362 r"""get_constraint(Centroid self) -> Constraint"""
4363 return _IMP_core.Centroid_get_constraint(self)
4365 def __init__(self, *args):
4367 __init__(Centroid self) -> Centroid
4368 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4369 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4371 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4373 def show(self, *args):
4374 r"""show(Centroid self, _ostream out=std::cout)"""
4375 return _IMP_core.Centroid_show(self, *args)
4378 def setup_particle(*args):
4380 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4381 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4382 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4383 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4385 return _IMP_core.Centroid_setup_particle(*args)
4388 def get_is_setup(*args):
4390 get_is_setup(_ParticleAdaptor p) -> bool
4391 get_is_setup(Model m, ParticleIndex pi) -> bool
4393 return _IMP_core.Centroid_get_is_setup(*args)
4395 def add_attribute(self, *args):
4397 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4398 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4399 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4400 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4401 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4402 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4403 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4404 add_attribute(Centroid self, ObjectKey a0, Object a1)
4405 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4406 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4407 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4408 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4410 return _IMP_core.Centroid_add_attribute(self, *args)
4412 def get_value(self, *args):
4414 get_value(Centroid self, FloatKey a0) -> IMP::Float
4415 get_value(Centroid self, IntKey a0) -> IMP::Int
4416 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4417 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4418 get_value(Centroid self, StringKey a0) -> IMP::String
4419 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4420 get_value(Centroid self, ObjectKey a0) -> Object
4421 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4422 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4423 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4424 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4426 return _IMP_core.Centroid_get_value(self, *args)
4428 def set_value(self, *args):
4430 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4431 set_value(Centroid self, IntKey a0, IMP::Int a1)
4432 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4433 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4434 set_value(Centroid self, StringKey a0, IMP::String a1)
4435 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4436 set_value(Centroid self, ObjectKey a0, Object a1)
4437 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4438 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4439 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4440 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4442 return _IMP_core.Centroid_set_value(self, *args)
4444 def remove_attribute(self, *args):
4446 remove_attribute(Centroid self, FloatKey a0)
4447 remove_attribute(Centroid self, IntKey a0)
4448 remove_attribute(Centroid self, FloatsKey a0)
4449 remove_attribute(Centroid self, IntsKey a0)
4450 remove_attribute(Centroid self, StringKey a0)
4451 remove_attribute(Centroid self, ParticleIndexKey a0)
4452 remove_attribute(Centroid self, ObjectKey a0)
4453 remove_attribute(Centroid self, SparseFloatKey a0)
4454 remove_attribute(Centroid self, SparseIntKey a0)
4455 remove_attribute(Centroid self, SparseStringKey a0)
4456 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4458 return _IMP_core.Centroid_remove_attribute(self, *args)
4460 def has_attribute(self, *args):
4462 has_attribute(Centroid self, FloatKey a0) -> bool
4463 has_attribute(Centroid self, IntKey a0) -> bool
4464 has_attribute(Centroid self, FloatsKey a0) -> bool
4465 has_attribute(Centroid self, IntsKey a0) -> bool
4466 has_attribute(Centroid self, StringKey a0) -> bool
4467 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4468 has_attribute(Centroid self, ObjectKey a0) -> bool
4469 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4470 has_attribute(Centroid self, SparseIntKey a0) -> bool
4471 has_attribute(Centroid self, SparseStringKey a0) -> bool
4472 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4474 return _IMP_core.Centroid_has_attribute(self, *args)
4476 def get_derivative(self, a0):
4477 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4478 return _IMP_core.Centroid_get_derivative(self, a0)
4481 r"""get_name(Centroid self) -> std::string"""
4482 return _IMP_core.Centroid_get_name(self)
4484 def clear_caches(self):
4485 r"""clear_caches(Centroid self)"""
4486 return _IMP_core.Centroid_clear_caches(self)
4488 def set_name(self, a0):
4489 r"""set_name(Centroid self, std::string a0)"""
4490 return _IMP_core.Centroid_set_name(self, a0)
4493 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4494 return _IMP_core.Centroid_set_check_level(self, a0)
4496 def add_to_derivative(self, a0, a1, a2):
4497 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4498 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4500 def set_is_optimized(self, a0, a1):
4501 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4502 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4504 def get_is_optimized(self, a0):
4505 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4506 return _IMP_core.Centroid_get_is_optimized(self, a0)
4509 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4510 return _IMP_core.Centroid_get_check_level(self)
4512 def __eq__(self, *args):
4514 __eq__(Centroid self, Centroid o) -> bool
4515 __eq__(Centroid self, Particle d) -> bool
4517 return _IMP_core.Centroid___eq__(self, *args)
4519 def __ne__(self, *args):
4521 __ne__(Centroid self, Centroid o) -> bool
4522 __ne__(Centroid self, Particle d) -> bool
4524 return _IMP_core.Centroid___ne__(self, *args)
4526 def __le__(self, *args):
4528 __le__(Centroid self, Centroid o) -> bool
4529 __le__(Centroid self, Particle d) -> bool
4531 return _IMP_core.Centroid___le__(self, *args)
4533 def __lt__(self, *args):
4535 __lt__(Centroid self, Centroid o) -> bool
4536 __lt__(Centroid self, Particle d) -> bool
4538 return _IMP_core.Centroid___lt__(self, *args)
4540 def __ge__(self, *args):
4542 __ge__(Centroid self, Centroid o) -> bool
4543 __ge__(Centroid self, Particle d) -> bool
4545 return _IMP_core.Centroid___ge__(self, *args)
4547 def __gt__(self, *args):
4549 __gt__(Centroid self, Centroid o) -> bool
4550 __gt__(Centroid self, Particle d) -> bool
4552 return _IMP_core.Centroid___gt__(self, *args)
4555 r"""__hash__(Centroid self) -> std::size_t"""
4556 return _IMP_core.Centroid___hash__(self)
4559 r"""__str__(Centroid self) -> std::string"""
4560 return _IMP_core.Centroid___str__(self)
4563 r"""__repr__(Centroid self) -> std::string"""
4564 return _IMP_core.Centroid___repr__(self)
4566 def _get_as_binary(self):
4567 r"""_get_as_binary(Centroid self) -> PyObject *"""
4568 return _IMP_core.Centroid__get_as_binary(self)
4570 def _set_from_binary(self, p):
4571 r"""_set_from_binary(Centroid self, PyObject * p)"""
4572 return _IMP_core.Centroid__set_from_binary(self, p)
4574 def __getstate__(self):
4575 p = self._get_as_binary()
4576 if len(self.__dict__) > 1:
4577 d = self.__dict__.copy()
4582 def __setstate__(self, p):
4583 if not hasattr(self,
'this'):
4585 if isinstance(p, tuple):
4587 self.__dict__.update(d)
4588 return self._set_from_binary(p)
4590 __swig_destroy__ = _IMP_core.delete_Centroid
4593 _IMP_core.Centroid_swigregister(Centroid)
4595 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4599 def __init__(self, *args):
4601 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4602 __init__(ChecksScoreState self) -> ChecksScoreState
4604 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4606 def get_number_of_checked(self):
4607 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4608 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4610 def do_before_evaluate(self):
4611 r"""do_before_evaluate(ChecksScoreState self)"""
4612 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4614 def do_after_evaluate(self, da):
4615 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4616 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4618 def do_get_outputs(self):
4619 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4620 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4622 def do_get_inputs(self):
4623 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4624 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4626 def get_version_info(self):
4627 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4628 return _IMP_core.ChecksScoreState_get_version_info(self)
4629 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4632 r"""__str__(ChecksScoreState self) -> std::string"""
4633 return _IMP_core.ChecksScoreState___str__(self)
4636 r"""__repr__(ChecksScoreState self) -> std::string"""
4637 return _IMP_core.ChecksScoreState___repr__(self)
4641 return _object_cast_to_ChecksScoreState(o)
4644 def _get_as_binary(self):
4645 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4646 return _IMP_core.ChecksScoreState__get_as_binary(self)
4648 def _set_from_binary(self, p):
4649 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4650 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4652 def __getstate__(self):
4653 p = self._get_as_binary()
4654 if len(self.__dict__) > 1:
4655 d = self.__dict__.copy()
4660 def __setstate__(self, p):
4661 if not hasattr(self,
'this'):
4663 if isinstance(p, tuple):
4665 self.__dict__.update(d)
4666 return self._set_from_binary(p)
4670 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4672 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4676 def __init__(self, tr):
4677 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4678 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4680 def do_get_inputs(self, m, pis):
4681 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4682 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4684 def get_version_info(self):
4685 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4686 return _IMP_core.ChildrenRefiner_get_version_info(self)
4687 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4690 r"""__str__(ChildrenRefiner self) -> std::string"""
4691 return _IMP_core.ChildrenRefiner___str__(self)
4694 r"""__repr__(ChildrenRefiner self) -> std::string"""
4695 return _IMP_core.ChildrenRefiner___repr__(self)
4699 return _object_cast_to_ChildrenRefiner(o)
4703 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4705 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4709 def __init__(self, values, minrange, spacing):
4710 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4711 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4713 def get_version_info(self):
4714 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4715 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4716 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4718 def do_show(self, out):
4719 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4720 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4722 def get_minrange(self):
4723 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4724 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4726 def get_spacing(self):
4727 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4728 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4730 def get_values(self):
4731 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4732 return _IMP_core.ClosedCubicSpline_get_values(self)
4734 def get_second_derivatives(self):
4735 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4736 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4739 r"""__str__(ClosedCubicSpline self) -> std::string"""
4740 return _IMP_core.ClosedCubicSpline___str__(self)
4743 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4744 return _IMP_core.ClosedCubicSpline___repr__(self)
4748 return _object_cast_to_ClosedCubicSpline(o)
4752 import jax.numpy
as jnp
4753 from IMP.core._jax_util
import _spline
4754 def score(feature, minrange, spacing, values, second_derivs):
4756 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4758 highbin = jnp.remainder(lowbin + 1, len(values))
4759 return _spline(feature, minrange, lowbin, highbin, spacing,
4760 values, second_derivs)
4761 return functools.partial(
4762 score, minrange=self.get_minrange(),
4763 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4764 second_derivs=jnp.asarray(self.get_second_derivatives()))
4768 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4770 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4772 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4774 def __init__(self, f, r, k=1):
4775 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4776 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4778 def get_close_pairs(self, pp):
4779 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4780 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4782 def create_current_decomposition(self, m, vt):
4783 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4784 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4786 def do_get_inputs(self, m, pis):
4787 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4788 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4790 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4791 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"""
4792 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4794 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4795 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"""
4796 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4798 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4799 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"""
4800 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4802 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4803 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"""
4804 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4806 def get_version_info(self):
4807 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4808 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4809 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4812 r"""__str__(KClosePairsPairScore self) -> std::string"""
4813 return _IMP_core.KClosePairsPairScore___str__(self)
4816 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4817 return _IMP_core.KClosePairsPairScore___repr__(self)
4821 return _object_cast_to_KClosePairsPairScore(o)
4825 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4827 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4831 def __init__(self, f, r, max_distance):
4832 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4833 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4835 def get_close_pairs(self, pp):
4836 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4837 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4839 def create_current_decomposition(self, m, vt):
4840 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4841 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4843 def do_get_inputs(self, m, pis):
4844 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4845 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4847 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4848 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"""
4849 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4851 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4852 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"""
4853 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4855 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4856 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"""
4857 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4859 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4860 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"""
4861 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4863 def get_version_info(self):
4864 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4865 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4866 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4869 r"""__str__(ClosePairsPairScore self) -> std::string"""
4870 return _IMP_core.ClosePairsPairScore___str__(self)
4873 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4874 return _IMP_core.ClosePairsPairScore___repr__(self)
4878 return _object_cast_to_ClosePairsPairScore(o)
4882 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4884 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4888 def __init__(self, *args):
4890 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4891 __init__(ConjugateGradients self) -> ConjugateGradients
4893 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4895 def set_gradient_threshold(self, t):
4896 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4897 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4899 def set_max_change(self, t):
4900 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4901 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4903 def do_optimize(self, max_steps):
4904 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4905 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4907 def get_version_info(self):
4908 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4909 return _IMP_core.ConjugateGradients_get_version_info(self)
4910 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4913 r"""__str__(ConjugateGradients self) -> std::string"""
4914 return _IMP_core.ConjugateGradients___str__(self)
4917 r"""__repr__(ConjugateGradients self) -> std::string"""
4918 return _IMP_core.ConjugateGradients___repr__(self)
4922 return _object_cast_to_ConjugateGradients(o)
4925 def _get_as_binary(self):
4926 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4927 return _IMP_core.ConjugateGradients__get_as_binary(self)
4929 def _set_from_binary(self, p):
4930 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4931 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4933 def __getstate__(self):
4934 p = self._get_as_binary()
4935 if len(self.__dict__) > 1:
4936 d = self.__dict__.copy()
4941 def __setstate__(self, p):
4942 if not hasattr(self,
'this'):
4944 if isinstance(p, tuple):
4946 self.__dict__.update(d)
4947 return self._set_from_binary(p)
4951 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
4953 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
4955 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4957 def __init__(self, ps, sc):
4958 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
4959 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
4961 def get_connected_index_pairs(self):
4962 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
4963 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
4965 def get_pair_score(self):
4966 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
4967 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
4969 def do_create_current_decomposition(self):
4970 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
4971 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
4973 def do_get_inputs(self):
4974 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
4975 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
4977 def get_version_info(self):
4978 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
4979 return _IMP_core.ConnectivityRestraint_get_version_info(self)
4980 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
4983 r"""__str__(ConnectivityRestraint self) -> std::string"""
4984 return _IMP_core.ConnectivityRestraint___str__(self)
4987 r"""__repr__(ConnectivityRestraint self) -> std::string"""
4988 return _IMP_core.ConnectivityRestraint___repr__(self)
4992 return _object_cast_to_ConnectivityRestraint(o)
4996 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
4998 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5000 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5002 def __init__(self, *args):
5004 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5005 __init__(ConstantRestraint self) -> ConstantRestraint
5007 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5009 def do_get_inputs(self):
5010 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5011 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5013 def get_version_info(self):
5014 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5015 return _IMP_core.ConstantRestraint_get_version_info(self)
5016 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5019 r"""__str__(ConstantRestraint self) -> std::string"""
5020 return _IMP_core.ConstantRestraint___str__(self)
5023 r"""__repr__(ConstantRestraint self) -> std::string"""
5024 return _IMP_core.ConstantRestraint___repr__(self)
5028 return _object_cast_to_ConstantRestraint(o)
5031 def _get_as_binary(self):
5032 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5033 return _IMP_core.ConstantRestraint__get_as_binary(self)
5035 def _set_from_binary(self, p):
5036 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5037 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5039 def __getstate__(self):
5040 p = self._get_as_binary()
5041 if len(self.__dict__) > 1:
5042 d = self.__dict__.copy()
5047 def __setstate__(self, p):
5048 if not hasattr(self,
'this'):
5050 if isinstance(p, tuple):
5052 self.__dict__.update(d)
5053 return self._set_from_binary(p)
5057 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5059 r"""Proxy of C++ IMP::core::Cosine class."""
5061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5063 def __init__(self, *args):
5065 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5066 __init__(Cosine self) -> Cosine
5068 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5070 def get_force_constant(self):
5071 r"""get_force_constant(Cosine self) -> IMP::Float"""
5072 return _IMP_core.Cosine_get_force_constant(self)
5074 def get_periodicity(self):
5075 r"""get_periodicity(Cosine self) -> int"""
5076 return _IMP_core.Cosine_get_periodicity(self)
5078 def get_phase(self):
5079 r"""get_phase(Cosine self) -> IMP::Float"""
5080 return _IMP_core.Cosine_get_phase(self)
5082 def get_version_info(self):
5083 r"""get_version_info(Cosine self) -> VersionInfo"""
5084 return _IMP_core.Cosine_get_version_info(self)
5085 __swig_destroy__ = _IMP_core.delete_Cosine
5087 def do_show(self, out):
5088 r"""do_show(Cosine self, _ostream out)"""
5089 return _IMP_core.Cosine_do_show(self, out)
5092 r"""__str__(Cosine self) -> std::string"""
5093 return _IMP_core.Cosine___str__(self)
5096 r"""__repr__(Cosine self) -> std::string"""
5097 return _IMP_core.Cosine___repr__(self)
5101 return _object_cast_to_Cosine(o)
5104 def _get_as_binary(self):
5105 r"""_get_as_binary(Cosine self) -> PyObject *"""
5106 return _IMP_core.Cosine__get_as_binary(self)
5108 def _set_from_binary(self, p):
5109 r"""_set_from_binary(Cosine self, PyObject * p)"""
5110 return _IMP_core.Cosine__set_from_binary(self, p)
5112 def __getstate__(self):
5113 p = self._get_as_binary()
5114 if len(self.__dict__) > 1:
5115 d = self.__dict__.copy()
5120 def __setstate__(self, p):
5121 if not hasattr(self,
'this'):
5123 if isinstance(p, tuple):
5125 self.__dict__.update(d)
5126 return self._set_from_binary(p)
5130 import jax.numpy
as jnp
5131 def score(val, k, period, phase):
5132 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5133 return functools.partial(score, k=self.get_force_constant(),
5134 period=self.get_periodicity(),
5135 phase=self.get_phase())
5139 _IMP_core.Cosine_swigregister(Cosine)
5141 r"""Proxy of C++ IMP::core::CoverRefined class."""
5143 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5145 def __init__(self, ref, slack=0):
5146 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5147 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5149 def set_slack(self, slack):
5150 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5151 return _IMP_core.CoverRefined_set_slack(self, slack)
5153 def do_get_inputs(self, m, pis):
5154 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5155 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5157 def do_get_outputs(self, m, pis):
5158 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5159 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5161 def get_version_info(self):
5162 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5163 return _IMP_core.CoverRefined_get_version_info(self)
5164 __swig_destroy__ = _IMP_core.delete_CoverRefined
5167 r"""__str__(CoverRefined self) -> std::string"""
5168 return _IMP_core.CoverRefined___str__(self)
5171 r"""__repr__(CoverRefined self) -> std::string"""
5172 return _IMP_core.CoverRefined___repr__(self)
5176 return _object_cast_to_CoverRefined(o)
5180 _IMP_core.CoverRefined_swigregister(CoverRefined)
5182 r"""Proxy of C++ IMP::core::Cover class."""
5184 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5186 def get_constraint(self):
5187 r"""get_constraint(Cover self) -> Constraint"""
5188 return _IMP_core.Cover_get_constraint(self)
5190 def __init__(self, *args):
5192 __init__(Cover self) -> Cover
5193 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5194 __init__(Cover self, _ParticleAdaptor d) -> Cover
5196 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5198 def show(self, *args):
5199 r"""show(Cover self, _ostream out=std::cout)"""
5200 return _IMP_core.Cover_show(self, *args)
5203 def setup_particle(*args):
5205 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5206 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5207 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5208 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5210 return _IMP_core.Cover_setup_particle(*args)
5213 def get_is_setup(*args):
5215 get_is_setup(_ParticleAdaptor p) -> bool
5216 get_is_setup(Model m, ParticleIndex pi) -> bool
5218 return _IMP_core.Cover_get_is_setup(*args)
5220 def add_attribute(self, *args):
5222 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5223 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5224 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5225 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5226 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5227 add_attribute(Cover self, StringKey a0, IMP::String a1)
5228 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5229 add_attribute(Cover self, ObjectKey a0, Object a1)
5230 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5231 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5232 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5233 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5235 return _IMP_core.Cover_add_attribute(self, *args)
5237 def get_value(self, *args):
5239 get_value(Cover self, FloatKey a0) -> IMP::Float
5240 get_value(Cover self, IntKey a0) -> IMP::Int
5241 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5242 get_value(Cover self, IntsKey a0) -> IMP::Ints
5243 get_value(Cover self, StringKey a0) -> IMP::String
5244 get_value(Cover self, ParticleIndexKey a0) -> Particle
5245 get_value(Cover self, ObjectKey a0) -> Object
5246 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5247 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5248 get_value(Cover self, SparseStringKey a0) -> IMP::String
5249 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5251 return _IMP_core.Cover_get_value(self, *args)
5253 def set_value(self, *args):
5255 set_value(Cover self, FloatKey a0, IMP::Float a1)
5256 set_value(Cover self, IntKey a0, IMP::Int a1)
5257 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5258 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5259 set_value(Cover self, StringKey a0, IMP::String a1)
5260 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5261 set_value(Cover self, ObjectKey a0, Object a1)
5262 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5263 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5264 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5265 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5267 return _IMP_core.Cover_set_value(self, *args)
5269 def remove_attribute(self, *args):
5271 remove_attribute(Cover self, FloatKey a0)
5272 remove_attribute(Cover self, IntKey a0)
5273 remove_attribute(Cover self, FloatsKey a0)
5274 remove_attribute(Cover self, IntsKey a0)
5275 remove_attribute(Cover self, StringKey a0)
5276 remove_attribute(Cover self, ParticleIndexKey a0)
5277 remove_attribute(Cover self, ObjectKey a0)
5278 remove_attribute(Cover self, SparseFloatKey a0)
5279 remove_attribute(Cover self, SparseIntKey a0)
5280 remove_attribute(Cover self, SparseStringKey a0)
5281 remove_attribute(Cover self, SparseParticleIndexKey a0)
5283 return _IMP_core.Cover_remove_attribute(self, *args)
5285 def has_attribute(self, *args):
5287 has_attribute(Cover self, FloatKey a0) -> bool
5288 has_attribute(Cover self, IntKey a0) -> bool
5289 has_attribute(Cover self, FloatsKey a0) -> bool
5290 has_attribute(Cover self, IntsKey a0) -> bool
5291 has_attribute(Cover self, StringKey a0) -> bool
5292 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5293 has_attribute(Cover self, ObjectKey a0) -> bool
5294 has_attribute(Cover self, SparseFloatKey a0) -> bool
5295 has_attribute(Cover self, SparseIntKey a0) -> bool
5296 has_attribute(Cover self, SparseStringKey a0) -> bool
5297 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5299 return _IMP_core.Cover_has_attribute(self, *args)
5301 def get_derivative(self, a0):
5302 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5303 return _IMP_core.Cover_get_derivative(self, a0)
5306 r"""get_name(Cover self) -> std::string"""
5307 return _IMP_core.Cover_get_name(self)
5309 def clear_caches(self):
5310 r"""clear_caches(Cover self)"""
5311 return _IMP_core.Cover_clear_caches(self)
5313 def set_name(self, a0):
5314 r"""set_name(Cover self, std::string a0)"""
5315 return _IMP_core.Cover_set_name(self, a0)
5318 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5319 return _IMP_core.Cover_set_check_level(self, a0)
5321 def add_to_derivative(self, a0, a1, a2):
5322 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5323 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5325 def set_is_optimized(self, a0, a1):
5326 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5327 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5329 def get_is_optimized(self, a0):
5330 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5331 return _IMP_core.Cover_get_is_optimized(self, a0)
5334 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5335 return _IMP_core.Cover_get_check_level(self)
5337 def __eq__(self, *args):
5339 __eq__(Cover self, Cover o) -> bool
5340 __eq__(Cover self, Particle d) -> bool
5342 return _IMP_core.Cover___eq__(self, *args)
5344 def __ne__(self, *args):
5346 __ne__(Cover self, Cover o) -> bool
5347 __ne__(Cover self, Particle d) -> bool
5349 return _IMP_core.Cover___ne__(self, *args)
5351 def __le__(self, *args):
5353 __le__(Cover self, Cover o) -> bool
5354 __le__(Cover self, Particle d) -> bool
5356 return _IMP_core.Cover___le__(self, *args)
5358 def __lt__(self, *args):
5360 __lt__(Cover self, Cover o) -> bool
5361 __lt__(Cover self, Particle d) -> bool
5363 return _IMP_core.Cover___lt__(self, *args)
5365 def __ge__(self, *args):
5367 __ge__(Cover self, Cover o) -> bool
5368 __ge__(Cover self, Particle d) -> bool
5370 return _IMP_core.Cover___ge__(self, *args)
5372 def __gt__(self, *args):
5374 __gt__(Cover self, Cover o) -> bool
5375 __gt__(Cover self, Particle d) -> bool
5377 return _IMP_core.Cover___gt__(self, *args)
5380 r"""__hash__(Cover self) -> std::size_t"""
5381 return _IMP_core.Cover___hash__(self)
5384 r"""__str__(Cover self) -> std::string"""
5385 return _IMP_core.Cover___str__(self)
5388 r"""__repr__(Cover self) -> std::string"""
5389 return _IMP_core.Cover___repr__(self)
5391 def _get_as_binary(self):
5392 r"""_get_as_binary(Cover self) -> PyObject *"""
5393 return _IMP_core.Cover__get_as_binary(self)
5395 def _set_from_binary(self, p):
5396 r"""_set_from_binary(Cover self, PyObject * p)"""
5397 return _IMP_core.Cover__set_from_binary(self, p)
5399 def __getstate__(self):
5400 p = self._get_as_binary()
5401 if len(self.__dict__) > 1:
5402 d = self.__dict__.copy()
5407 def __setstate__(self, p):
5408 if not hasattr(self,
'this'):
5410 if isinstance(p, tuple):
5412 self.__dict__.update(d)
5413 return self._set_from_binary(p)
5415 __swig_destroy__ = _IMP_core.delete_Cover
5418 _IMP_core.Cover_swigregister(Cover)
5420 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5424 def __init__(self, *args):
5425 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5426 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5428 def do_get_inputs(self, m, pis):
5429 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5430 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5432 def do_get_outputs(self, m, pis):
5433 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5434 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5436 def get_version_info(self):
5437 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5438 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5439 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5442 r"""__str__(DerivativesFromRefined self) -> std::string"""
5443 return _IMP_core.DerivativesFromRefined___str__(self)
5446 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5447 return _IMP_core.DerivativesFromRefined___repr__(self)
5451 return _object_cast_to_DerivativesFromRefined(o)
5455 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5457 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5459 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5461 def __init__(self, *args):
5462 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5463 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5465 def do_get_inputs(self, m, pis):
5466 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5467 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5469 def do_get_outputs(self, m, pis):
5470 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5471 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5473 def get_version_info(self):
5474 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5475 return _IMP_core.DerivativesToRefined_get_version_info(self)
5476 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5479 r"""__str__(DerivativesToRefined self) -> std::string"""
5480 return _IMP_core.DerivativesToRefined___str__(self)
5483 r"""__repr__(DerivativesToRefined self) -> std::string"""
5484 return _IMP_core.DerivativesToRefined___repr__(self)
5488 return _object_cast_to_DerivativesToRefined(o)
5492 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5494 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5498 def __init__(self, f, sc, diameter):
5499 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5500 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5502 def do_get_inputs(self):
5503 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5504 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5506 def get_version_info(self):
5507 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5508 return _IMP_core.DiameterRestraint_get_version_info(self)
5509 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5511 def do_create_decomposition(self):
5512 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5513 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5515 def do_create_current_decomposition(self):
5516 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5517 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5520 r"""__str__(DiameterRestraint self) -> std::string"""
5521 return _IMP_core.DiameterRestraint___str__(self)
5524 r"""__repr__(DiameterRestraint self) -> std::string"""
5525 return _IMP_core.DiameterRestraint___repr__(self)
5529 return _object_cast_to_DiameterRestraint(o)
5533 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5535 r"""Proxy of C++ IMP::core::Transform class."""
5537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5539 def __init__(self, *args):
5541 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5542 __init__(Transform self) -> Transform
5544 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5546 def do_get_inputs(self, m, pis):
5547 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5548 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5550 def do_get_outputs(self, m, pis):
5551 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5552 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5554 def get_version_info(self):
5555 r"""get_version_info(Transform self) -> VersionInfo"""
5556 return _IMP_core.Transform_get_version_info(self)
5557 __swig_destroy__ = _IMP_core.delete_Transform
5560 r"""__str__(Transform self) -> std::string"""
5561 return _IMP_core.Transform___str__(self)
5564 r"""__repr__(Transform self) -> std::string"""
5565 return _IMP_core.Transform___repr__(self)
5569 return _object_cast_to_Transform(o)
5572 def _get_as_binary(self):
5573 r"""_get_as_binary(Transform self) -> PyObject *"""
5574 return _IMP_core.Transform__get_as_binary(self)
5576 def _set_from_binary(self, p):
5577 r"""_set_from_binary(Transform self, PyObject * p)"""
5578 return _IMP_core.Transform__set_from_binary(self, p)
5580 def __getstate__(self):
5581 p = self._get_as_binary()
5582 if len(self.__dict__) > 1:
5583 d = self.__dict__.copy()
5588 def __setstate__(self, p):
5589 if not hasattr(self,
'this'):
5591 if isinstance(p, tuple):
5593 self.__dict__.update(d)
5594 return self._set_from_binary(p)
5598 _IMP_core.Transform_swigregister(Transform)
5600 r"""Proxy of C++ IMP::core::Reference class."""
5602 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5604 def __init__(self, *args):
5606 __init__(Reference self) -> Reference
5607 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5608 __init__(Reference self, _ParticleAdaptor d) -> Reference
5610 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5612 def show(self, *args):
5613 r"""show(Reference self, _ostream out=std::cout)"""
5614 return _IMP_core.Reference_show(self, *args)
5617 def setup_particle(*args):
5619 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5620 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5622 return _IMP_core.Reference_setup_particle(*args)
5624 def get_reference_particle(self):
5625 r"""get_reference_particle(Reference self) -> Particle"""
5626 return _IMP_core.Reference_get_reference_particle(self)
5629 def get_is_setup(*args):
5631 get_is_setup(_ParticleAdaptor p) -> bool
5632 get_is_setup(Model m, ParticleIndex pi) -> bool
5634 return _IMP_core.Reference_get_is_setup(*args)
5637 def get_reference_key():
5638 r"""get_reference_key() -> ParticleIndexKey"""
5639 return _IMP_core.Reference_get_reference_key()
5641 def add_attribute(self, *args):
5643 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5644 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5645 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5646 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5647 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5648 add_attribute(Reference self, StringKey a0, IMP::String a1)
5649 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5650 add_attribute(Reference self, ObjectKey a0, Object a1)
5651 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5652 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5653 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5654 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5656 return _IMP_core.Reference_add_attribute(self, *args)
5658 def get_value(self, *args):
5660 get_value(Reference self, FloatKey a0) -> IMP::Float
5661 get_value(Reference self, IntKey a0) -> IMP::Int
5662 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5663 get_value(Reference self, IntsKey a0) -> IMP::Ints
5664 get_value(Reference self, StringKey a0) -> IMP::String
5665 get_value(Reference self, ParticleIndexKey a0) -> Particle
5666 get_value(Reference self, ObjectKey a0) -> Object
5667 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5668 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5669 get_value(Reference self, SparseStringKey a0) -> IMP::String
5670 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5672 return _IMP_core.Reference_get_value(self, *args)
5674 def set_value(self, *args):
5676 set_value(Reference self, FloatKey a0, IMP::Float a1)
5677 set_value(Reference self, IntKey a0, IMP::Int a1)
5678 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5679 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5680 set_value(Reference self, StringKey a0, IMP::String a1)
5681 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5682 set_value(Reference self, ObjectKey a0, Object a1)
5683 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5684 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5685 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5686 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5688 return _IMP_core.Reference_set_value(self, *args)
5690 def remove_attribute(self, *args):
5692 remove_attribute(Reference self, FloatKey a0)
5693 remove_attribute(Reference self, IntKey a0)
5694 remove_attribute(Reference self, FloatsKey a0)
5695 remove_attribute(Reference self, IntsKey a0)
5696 remove_attribute(Reference self, StringKey a0)
5697 remove_attribute(Reference self, ParticleIndexKey a0)
5698 remove_attribute(Reference self, ObjectKey a0)
5699 remove_attribute(Reference self, SparseFloatKey a0)
5700 remove_attribute(Reference self, SparseIntKey a0)
5701 remove_attribute(Reference self, SparseStringKey a0)
5702 remove_attribute(Reference self, SparseParticleIndexKey a0)
5704 return _IMP_core.Reference_remove_attribute(self, *args)
5706 def has_attribute(self, *args):
5708 has_attribute(Reference self, FloatKey a0) -> bool
5709 has_attribute(Reference self, IntKey a0) -> bool
5710 has_attribute(Reference self, FloatsKey a0) -> bool
5711 has_attribute(Reference self, IntsKey a0) -> bool
5712 has_attribute(Reference self, StringKey a0) -> bool
5713 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5714 has_attribute(Reference self, ObjectKey a0) -> bool
5715 has_attribute(Reference self, SparseFloatKey a0) -> bool
5716 has_attribute(Reference self, SparseIntKey a0) -> bool
5717 has_attribute(Reference self, SparseStringKey a0) -> bool
5718 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5720 return _IMP_core.Reference_has_attribute(self, *args)
5722 def get_derivative(self, a0):
5723 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5724 return _IMP_core.Reference_get_derivative(self, a0)
5727 r"""get_name(Reference self) -> std::string"""
5728 return _IMP_core.Reference_get_name(self)
5730 def clear_caches(self):
5731 r"""clear_caches(Reference self)"""
5732 return _IMP_core.Reference_clear_caches(self)
5734 def set_name(self, a0):
5735 r"""set_name(Reference self, std::string a0)"""
5736 return _IMP_core.Reference_set_name(self, a0)
5739 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5740 return _IMP_core.Reference_set_check_level(self, a0)
5742 def add_to_derivative(self, a0, a1, a2):
5743 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5744 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5746 def set_is_optimized(self, a0, a1):
5747 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5748 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5750 def get_is_optimized(self, a0):
5751 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5752 return _IMP_core.Reference_get_is_optimized(self, a0)
5755 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5756 return _IMP_core.Reference_get_check_level(self)
5758 def __eq__(self, *args):
5760 __eq__(Reference self, Reference o) -> bool
5761 __eq__(Reference self, Particle d) -> bool
5763 return _IMP_core.Reference___eq__(self, *args)
5765 def __ne__(self, *args):
5767 __ne__(Reference self, Reference o) -> bool
5768 __ne__(Reference self, Particle d) -> bool
5770 return _IMP_core.Reference___ne__(self, *args)
5772 def __le__(self, *args):
5774 __le__(Reference self, Reference o) -> bool
5775 __le__(Reference self, Particle d) -> bool
5777 return _IMP_core.Reference___le__(self, *args)
5779 def __lt__(self, *args):
5781 __lt__(Reference self, Reference o) -> bool
5782 __lt__(Reference self, Particle d) -> bool
5784 return _IMP_core.Reference___lt__(self, *args)
5786 def __ge__(self, *args):
5788 __ge__(Reference self, Reference o) -> bool
5789 __ge__(Reference self, Particle d) -> bool
5791 return _IMP_core.Reference___ge__(self, *args)
5793 def __gt__(self, *args):
5795 __gt__(Reference self, Reference o) -> bool
5796 __gt__(Reference self, Particle d) -> bool
5798 return _IMP_core.Reference___gt__(self, *args)
5801 r"""__hash__(Reference self) -> std::size_t"""
5802 return _IMP_core.Reference___hash__(self)
5805 r"""__str__(Reference self) -> std::string"""
5806 return _IMP_core.Reference___str__(self)
5809 r"""__repr__(Reference self) -> std::string"""
5810 return _IMP_core.Reference___repr__(self)
5812 def _get_as_binary(self):
5813 r"""_get_as_binary(Reference self) -> PyObject *"""
5814 return _IMP_core.Reference__get_as_binary(self)
5816 def _set_from_binary(self, p):
5817 r"""_set_from_binary(Reference self, PyObject * p)"""
5818 return _IMP_core.Reference__set_from_binary(self, p)
5820 def __getstate__(self):
5821 p = self._get_as_binary()
5822 if len(self.__dict__) > 1:
5823 d = self.__dict__.copy()
5828 def __setstate__(self, p):
5829 if not hasattr(self,
'this'):
5831 if isinstance(p, tuple):
5833 self.__dict__.update(d)
5834 return self._set_from_binary(p)
5836 __swig_destroy__ = _IMP_core.delete_Reference
5839 _IMP_core.Reference_swigregister(Reference)
5841 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5843 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5845 def __init__(self, t, r):
5846 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5847 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5849 def do_get_inputs(self, m, pis):
5850 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5851 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5853 def do_get_outputs(self, m, pis):
5854 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5855 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5857 def get_version_info(self):
5858 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5859 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5860 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5863 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5864 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5867 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5868 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5872 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5876 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5878 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5880 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5882 def __init__(self, *args):
5884 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5885 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5887 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5889 def get_transformation(self):
5890 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5891 return _IMP_core.TransformationSymmetry_get_transformation(self)
5893 def set_transformation(self, t):
5894 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5895 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5897 def do_get_inputs(self, m, pis):
5898 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5899 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5901 def do_get_outputs(self, m, pis):
5902 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5903 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5905 def get_version_info(self):
5906 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5907 return _IMP_core.TransformationSymmetry_get_version_info(self)
5908 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5911 r"""__str__(TransformationSymmetry self) -> std::string"""
5912 return _IMP_core.TransformationSymmetry___str__(self)
5915 r"""__repr__(TransformationSymmetry self) -> std::string"""
5916 return _IMP_core.TransformationSymmetry___repr__(self)
5920 return _object_cast_to_TransformationSymmetry(o)
5924 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5925 class TransformationSymmetryMover(MonteCarloMover):
5926 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5930 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5931 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5932 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5934 def set_maximum_translation(self, mt):
5935 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5936 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5938 def set_maximum_rotation(self, mr):
5939 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5940 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5942 def get_maximum_translation(self):
5943 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5944 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5946 def get_maximum_rotation(self):
5947 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5948 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5950 def get_version_info(self):
5951 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5952 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
5953 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
5956 r"""__str__(TransformationSymmetryMover self) -> std::string"""
5957 return _IMP_core.TransformationSymmetryMover___str__(self)
5960 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
5961 return _IMP_core.TransformationSymmetryMover___repr__(self)
5965 return _object_cast_to_TransformationSymmetryMover(o)
5969 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
5971 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
5973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5975 def __init__(self, m, score_func, p1, p2, p3, p4):
5976 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
5977 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
5979 def do_get_inputs(self):
5980 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
5981 return _IMP_core.DihedralRestraint_do_get_inputs(self)
5983 def get_version_info(self):
5984 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
5985 return _IMP_core.DihedralRestraint_get_version_info(self)
5986 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
5989 r"""__str__(DihedralRestraint self) -> std::string"""
5990 return _IMP_core.DihedralRestraint___str__(self)
5993 r"""__repr__(DihedralRestraint self) -> std::string"""
5994 return _IMP_core.DihedralRestraint___repr__(self)
5998 return _object_cast_to_DihedralRestraint(o)
6002 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6004 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6006 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6008 def __init__(self, *args):
6010 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6011 __init__(DistancePairScore self) -> DistancePairScore
6013 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6015 def do_get_inputs(self, m, pis):
6016 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6017 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6019 def get_score_functor(self, *args):
6021 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6022 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6024 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6026 def get_version_info(self):
6027 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6028 return _IMP_core.DistancePairScore_get_version_info(self)
6029 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6032 r"""__str__(DistancePairScore self) -> std::string"""
6033 return _IMP_core.DistancePairScore___str__(self)
6036 r"""__repr__(DistancePairScore self) -> std::string"""
6037 return _IMP_core.DistancePairScore___repr__(self)
6041 return _object_cast_to_DistancePairScore(o)
6044 def _get_as_binary(self):
6045 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6046 return _IMP_core.DistancePairScore__get_as_binary(self)
6048 def _set_from_binary(self, p):
6049 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6050 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6052 def __getstate__(self):
6053 p = self._get_as_binary()
6054 if len(self.__dict__) > 1:
6055 d = self.__dict__.copy()
6060 def __setstate__(self, p):
6061 if not hasattr(self,
'this'):
6063 if isinstance(p, tuple):
6065 self.__dict__.update(d)
6066 return self._set_from_binary(p)
6069 def _get_jax(self, m, indexes):
6070 import jax.numpy
as jnp
6071 def jax_score(jm, uf):
6072 xyzs = jm[
'xyz'][indexes]
6073 diff = xyzs[:,0] - xyzs[:,1]
6074 drs = jnp.linalg.norm(diff, axis=1)
6076 sfnc = self.get_score_functor()
6077 uf = sfnc.get_unary_function().get_derived_object()
6078 f = functools.partial(jax_score, uf=uf._get_jax())
6079 return self._wrap_jax(m, f)
6083 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6085 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6087 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6089 def __init__(self, *args):
6091 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6092 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6094 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6096 def do_get_inputs(self, m, pis):
6097 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6098 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6100 def get_score_functor(self, *args):
6102 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6103 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6105 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6108 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6109 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6112 r"""get_k(HarmonicDistancePairScore self) -> double"""
6113 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6115 def get_version_info(self):
6116 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6117 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6118 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6121 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6122 return _IMP_core.HarmonicDistancePairScore___str__(self)
6125 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6126 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6130 return _object_cast_to_HarmonicDistancePairScore(o)
6133 def _get_as_binary(self):
6134 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6135 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6137 def _set_from_binary(self, p):
6138 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6139 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6141 def __getstate__(self):
6142 p = self._get_as_binary()
6143 if len(self.__dict__) > 1:
6144 d = self.__dict__.copy()
6149 def __setstate__(self, p):
6150 if not hasattr(self,
'this'):
6152 if isinstance(p, tuple):
6154 self.__dict__.update(d)
6155 return self._set_from_binary(p)
6158 def _get_jax(self, m, indexes):
6159 import jax.numpy
as jnp
6160 def jax_harmonic_distance_pair_score(jm, d, k):
6161 xyzs = jm[
'xyz'][indexes]
6162 diff = xyzs[:,0] - xyzs[:,1]
6163 drs = jnp.linalg.norm(diff, axis=1)
6164 return 0.5 * k * (d - drs)**2
6165 f = functools.partial(jax_harmonic_distance_pair_score,
6166 d=self.get_x0(), k=self.get_k())
6167 return self._wrap_jax(m, f)
6171 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6173 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6175 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6177 def __init__(self, *args):
6179 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6180 __init__(DistanceRestraint self) -> DistanceRestraint
6182 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6184 def get_score_object(self):
6185 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6186 return _IMP_core.DistanceRestraint_get_score_object(self)
6189 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6190 return _IMP_core.DistanceRestraint_get_index(self)
6192 def get_version_info(self):
6193 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6194 return _IMP_core.DistanceRestraint_get_version_info(self)
6195 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6198 r"""__str__(DistanceRestraint self) -> std::string"""
6199 return _IMP_core.DistanceRestraint___str__(self)
6202 r"""__repr__(DistanceRestraint self) -> std::string"""
6203 return _IMP_core.DistanceRestraint___repr__(self)
6207 return _object_cast_to_DistanceRestraint(o)
6210 def _get_as_binary(self):
6211 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6212 return _IMP_core.DistanceRestraint__get_as_binary(self)
6214 def _set_from_binary(self, p):
6215 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6216 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6218 def __getstate__(self):
6219 p = self._get_as_binary()
6220 if len(self.__dict__) > 1:
6221 d = self.__dict__.copy()
6226 def __setstate__(self, p):
6227 if not hasattr(self,
'this'):
6229 if isinstance(p, tuple):
6231 self.__dict__.update(d)
6232 return self._set_from_binary(p)
6236 import jax.numpy
as jnp
6237 ps = self.get_score_object()
6238 indexes = jnp.array([self.get_index()])
6239 ji = ps._get_jax(self.get_model(), indexes)
6241 return jnp.sum(ji.score_func(jm))
6242 return self._wrap_jax(score)
6246 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6248 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6252 def __init__(self, f, pt):
6253 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6254 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6256 def do_get_inputs(self, m, pis):
6257 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6258 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6260 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6261 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"""
6262 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6264 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6265 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"""
6266 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6268 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6269 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"""
6270 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6272 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6273 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"""
6274 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6276 def get_version_info(self):
6277 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6278 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6279 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6282 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6283 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6286 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6287 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6291 return _object_cast_to_SphereDistanceToSingletonScore(o)
6295 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6297 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6299 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6301 def __init__(self, *args):
6302 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6303 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6305 def do_get_inputs(self):
6306 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6307 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6309 def get_version_info(self):
6310 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6311 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6312 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6314 def do_create_decomposition(self):
6315 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6316 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6318 def do_create_current_decomposition(self):
6319 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6320 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6323 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6324 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6325 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)
6326 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6327 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6328 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6330 def remove_pair_filter(self, d):
6331 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6332 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6334 def _python_index_pair_filter(self, d, start, stop):
6335 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6336 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6338 def remove_pair_filters(self, d):
6339 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6340 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6342 def set_pair_filters(self, ps):
6343 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6344 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6346 def set_pair_filters_order(self, objs):
6347 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6348 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6350 def add_pair_filter(self, obj):
6351 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6352 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6354 def add_pair_filters(self, objs):
6355 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6356 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6358 def clear_pair_filters(self):
6359 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6360 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6362 def get_number_of_pair_filters(self):
6363 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6364 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6366 def get_has_pair_filters(self):
6367 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6368 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6370 def get_pair_filter(self, i):
6371 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6372 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6374 def get_pair_filters(self):
6375 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6376 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6378 def erase_pair_filter(self, i):
6379 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6380 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6382 def reserve_pair_filters(self, sz):
6383 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6384 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6387 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6388 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6391 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6392 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6396 return _object_cast_to_ExcludedVolumeRestraint(o)
6400 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6402 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6404 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6406 def __init__(self, *args):
6408 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6409 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6411 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6413 def do_get_inputs(self, m, pis):
6414 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6415 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6417 def get_version_info(self):
6418 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6419 return _IMP_core.FixedRefiner_get_version_info(self)
6420 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6423 r"""__str__(FixedRefiner self) -> std::string"""
6424 return _IMP_core.FixedRefiner___str__(self)
6427 r"""__repr__(FixedRefiner self) -> std::string"""
6428 return _IMP_core.FixedRefiner___repr__(self)
6432 return _object_cast_to_FixedRefiner(o)
6436 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6437 class GridClosePairsFinder(ClosePairsFinder):
6438 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6440 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6443 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6444 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6446 def get_close_pairs(self, *args):
6448 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6449 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6450 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6451 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6453 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6455 def do_get_inputs(self, m, pis):
6456 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6457 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6459 def get_version_info(self):
6460 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6461 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6462 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6465 r"""__str__(GridClosePairsFinder self) -> std::string"""
6466 return _IMP_core.GridClosePairsFinder___str__(self)
6469 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6470 return _IMP_core.GridClosePairsFinder___repr__(self)
6474 return _object_cast_to_GridClosePairsFinder(o)
6477 def _get_as_binary(self):
6478 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6479 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6481 def _set_from_binary(self, p):
6482 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6483 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6485 def __getstate__(self):
6486 p = self._get_as_binary()
6487 if len(self.__dict__) > 1:
6488 d = self.__dict__.copy()
6493 def __setstate__(self, p):
6494 if not hasattr(self,
'this'):
6496 if isinstance(p, tuple):
6498 self.__dict__.update(d)
6499 return self._set_from_binary(p)
6503 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6505 r"""Proxy of C++ IMP::core::Harmonic class."""
6507 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6509 def __init__(self, *args):
6511 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6512 __init__(Harmonic self) -> Harmonic
6514 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6516 def get_version_info(self):
6517 r"""get_version_info(Harmonic self) -> VersionInfo"""
6518 return _IMP_core.Harmonic_get_version_info(self)
6519 __swig_destroy__ = _IMP_core.delete_Harmonic
6522 r"""get_mean(Harmonic self) -> IMP::Float"""
6523 return _IMP_core.Harmonic_get_mean(self)
6526 r"""get_k(Harmonic self) -> IMP::Float"""
6527 return _IMP_core.Harmonic_get_k(self)
6529 def set_mean(self, mean):
6530 r"""set_mean(Harmonic self, IMP::Float mean)"""
6531 return _IMP_core.Harmonic_set_mean(self, mean)
6534 r"""set_k(Harmonic self, IMP::Float k)"""
6535 return _IMP_core.Harmonic_set_k(self, k)
6538 def get_k_from_standard_deviation(sd, t=297.15):
6539 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6540 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6543 r"""__str__(Harmonic self) -> std::string"""
6544 return _IMP_core.Harmonic___str__(self)
6547 r"""__repr__(Harmonic self) -> std::string"""
6548 return _IMP_core.Harmonic___repr__(self)
6552 return _object_cast_to_Harmonic(o)
6555 def _get_as_binary(self):
6556 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6557 return _IMP_core.Harmonic__get_as_binary(self)
6559 def _set_from_binary(self, p):
6560 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6561 return _IMP_core.Harmonic__set_from_binary(self, p)
6563 def __getstate__(self):
6564 p = self._get_as_binary()
6565 if len(self.__dict__) > 1:
6566 d = self.__dict__.copy()
6571 def __setstate__(self, p):
6572 if not hasattr(self,
'this'):
6574 if isinstance(p, tuple):
6576 self.__dict__.update(d)
6577 return self._set_from_binary(p)
6581 def score(val, mean, k):
6582 return 0.5 * k * (mean - val) ** 2
6583 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6587 _IMP_core.Harmonic_swigregister(Harmonic)
6589 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6593 def __init__(self, well, k):
6594 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6595 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6598 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6599 return _IMP_core.HarmonicWell_get_well(self)
6602 r"""get_k(HarmonicWell self) -> double"""
6603 return _IMP_core.HarmonicWell_get_k(self)
6605 def get_version_info(self):
6606 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6607 return _IMP_core.HarmonicWell_get_version_info(self)
6608 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6611 r"""__str__(HarmonicWell self) -> std::string"""
6612 return _IMP_core.HarmonicWell___str__(self)
6615 r"""__repr__(HarmonicWell self) -> std::string"""
6616 return _IMP_core.HarmonicWell___repr__(self)
6620 return _object_cast_to_HarmonicWell(o)
6624 import jax.numpy
as jnp
6625 def score(val, lb, ub, k):
6626 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6627 well = self.get_well()
6628 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6632 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6633 class HarmonicLowerBound(Harmonic):
6634 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6636 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6638 def __init__(self, *args):
6640 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6641 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6643 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6644 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6647 r"""__str__(HarmonicLowerBound self) -> std::string"""
6648 return _IMP_core.HarmonicLowerBound___str__(self)
6651 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6652 return _IMP_core.HarmonicLowerBound___repr__(self)
6656 return _object_cast_to_HarmonicLowerBound(o)
6659 def _get_as_binary(self):
6660 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6661 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6663 def _set_from_binary(self, p):
6664 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6665 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6667 def __getstate__(self):
6668 p = self._get_as_binary()
6669 if len(self.__dict__) > 1:
6670 d = self.__dict__.copy()
6675 def __setstate__(self, p):
6676 if not hasattr(self,
'this'):
6678 if isinstance(p, tuple):
6680 self.__dict__.update(d)
6681 return self._set_from_binary(p)
6686 def score(val, mean, k):
6687 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6688 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6692 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6693 class HarmonicUpperBound(Harmonic):
6694 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6698 def __init__(self, *args):
6700 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6701 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6703 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6704 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6707 r"""__str__(HarmonicUpperBound self) -> std::string"""
6708 return _IMP_core.HarmonicUpperBound___str__(self)
6711 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6712 return _IMP_core.HarmonicUpperBound___repr__(self)
6716 return _object_cast_to_HarmonicUpperBound(o)
6719 def _get_as_binary(self):
6720 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6721 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6723 def _set_from_binary(self, p):
6724 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6725 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6727 def __getstate__(self):
6728 p = self._get_as_binary()
6729 if len(self.__dict__) > 1:
6730 d = self.__dict__.copy()
6735 def __setstate__(self, p):
6736 if not hasattr(self,
'this'):
6738 if isinstance(p, tuple):
6740 self.__dict__.update(d)
6741 return self._set_from_binary(p)
6746 def score(val, mean, k):
6747 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6748 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6752 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6754 r"""Proxy of C++ IMP::core::WeightedSum class."""
6756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6758 def __init__(self, funcs, weights):
6759 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6760 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6762 def get_function_number(self):
6763 r"""get_function_number(WeightedSum self) -> unsigned int"""
6764 return _IMP_core.WeightedSum_get_function_number(self)
6766 def set_weights(self, weights):
6767 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6768 return _IMP_core.WeightedSum_set_weights(self, weights)
6770 def get_weights(self):
6771 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6772 return _IMP_core.WeightedSum_get_weights(self)
6774 def get_weight(self, i):
6775 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6776 return _IMP_core.WeightedSum_get_weight(self, i)
6778 def get_function(self, i):
6779 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6780 return _IMP_core.WeightedSum_get_function(self, i)
6782 def get_version_info(self):
6783 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6784 return _IMP_core.WeightedSum_get_version_info(self)
6785 __swig_destroy__ = _IMP_core.delete_WeightedSum
6788 r"""__str__(WeightedSum self) -> std::string"""
6789 return _IMP_core.WeightedSum___str__(self)
6792 r"""__repr__(WeightedSum self) -> std::string"""
6793 return _IMP_core.WeightedSum___repr__(self)
6797 return _object_cast_to_WeightedSum(o)
6801 import jax.numpy
as jnp
6802 def score(val, funcs, weights):
6803 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6804 nfunc = self.get_function_number()
6805 funcs = [self.get_function(i).get_derived_object()._get_jax()
6806 for i
in range(nfunc)]
6807 return functools.partial(score, funcs=funcs,
6808 weights=self.get_weights())
6812 _IMP_core.WeightedSum_swigregister(WeightedSum)
6814 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6816 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6818 def __init__(self, funcs, weights, denom=1.0):
6819 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6820 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6822 def get_function_number(self):
6823 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6824 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6826 def set_weights(self, weights):
6827 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6828 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6830 def get_weights(self):
6831 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6832 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6834 def get_weight(self, i):
6835 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6836 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6838 def get_function(self, i):
6839 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6840 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6842 def set_denominator(self, denom):
6843 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6844 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6846 def get_denominator(self):
6847 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6848 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6850 def get_version_info(self):
6851 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6852 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6853 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6856 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6857 return _IMP_core.WeightedSumOfExponential___str__(self)
6860 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6861 return _IMP_core.WeightedSumOfExponential___repr__(self)
6865 return _object_cast_to_WeightedSumOfExponential(o)
6869 import jax.numpy
as jnp
6870 def score(val, funcs, weights, denom):
6871 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6872 for (f, weight)
in zip(funcs, weights))
6873 return -jnp.log(exp_sum) * denom
6874 nfunc = self.get_function_number()
6875 funcs = [self.get_function(i).get_derived_object()._get_jax()
6876 for i
in range(nfunc)]
6877 return functools.partial(score, funcs=funcs,
6878 weights=self.get_weights(),
6879 denom=self.get_denominator())
6883 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6885 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6887 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6889 def __init__(self, m, ps, eps=0.1):
6890 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6891 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6893 def add_type(self, ps):
6894 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6895 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6897 def add_composite(self, *args):
6899 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6900 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6902 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6904 def get_connected_pairs(self):
6905 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6906 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6908 def get_pair_score(self):
6909 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6910 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6912 def do_create_current_decomposition(self):
6913 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6914 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6916 def do_get_inputs(self):
6917 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6918 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6920 def get_version_info(self):
6921 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6922 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6923 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6926 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6927 return _IMP_core.MSConnectivityRestraint___str__(self)
6930 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6931 return _IMP_core.MSConnectivityRestraint___repr__(self)
6935 return _object_cast_to_MSConnectivityRestraint(o)
6939 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6940 class HierarchyTraits(object):
6941 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6945 def __init__(self, *args):
6947 __init__(HierarchyTraits self) -> HierarchyTraits
6948 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6950 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6952 def get_children_key(self):
6953 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
6954 return _IMP_core.HierarchyTraits_get_children_key(self)
6956 def get_parent_key(self):
6957 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
6958 return _IMP_core.HierarchyTraits_get_parent_key(self)
6960 def __eq__(self, o):
6961 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
6962 return _IMP_core.HierarchyTraits___eq__(self, o)
6964 def show(self, *args):
6965 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
6966 return _IMP_core.HierarchyTraits_show(self, *args)
6969 r"""__str__(HierarchyTraits self) -> std::string"""
6970 return _IMP_core.HierarchyTraits___str__(self)
6973 r"""__repr__(HierarchyTraits self) -> std::string"""
6974 return _IMP_core.HierarchyTraits___repr__(self)
6975 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
6978 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
6980 r"""Proxy of C++ IMP::core::Hierarchy class."""
6982 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6984 def get_decorator_traits(self):
6985 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
6986 return _IMP_core.Hierarchy_get_decorator_traits(self)
6989 def get_default_decorator_traits():
6990 r"""get_default_decorator_traits() -> HierarchyTraits"""
6991 return _IMP_core.Hierarchy_get_default_decorator_traits()
6993 def __init__(self, *args):
6995 __init__(Hierarchy self) -> Hierarchy
6996 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6997 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6999 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7001 def show(self, *args):
7002 r"""show(Hierarchy self, _ostream out=std::cout)"""
7003 return _IMP_core.Hierarchy_show(self, *args)
7006 def setup_particle(*args):
7008 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7009 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7010 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7011 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7012 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7013 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7015 return _IMP_core.Hierarchy_setup_particle(*args)
7018 def get_is_setup(*args):
7020 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7021 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7023 return _IMP_core.Hierarchy_get_is_setup(*args)
7026 def get_changed_key():
7027 r"""get_changed_key() -> TriggerKey"""
7028 return _IMP_core.Hierarchy_get_changed_key()
7030 def get_parent(self):
7031 r"""get_parent(Hierarchy self) -> Hierarchy"""
7032 return _IMP_core.Hierarchy_get_parent(self)
7034 def get_number_of_children(self):
7035 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7036 return _IMP_core.Hierarchy_get_number_of_children(self)
7038 def get_child(self, i):
7039 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7040 return _IMP_core.Hierarchy_get_child(self, i)
7042 def get_children_indexes(self):
7043 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7044 return _IMP_core.Hierarchy_get_children_indexes(self)
7046 def get_children(self):
7047 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7048 return _IMP_core.Hierarchy_get_children(self)
7050 def remove_child(self, *args):
7052 remove_child(Hierarchy self, unsigned int i)
7053 remove_child(Hierarchy self, Hierarchy h)
7055 return _IMP_core.Hierarchy_remove_child(self, *args)
7057 def clear_children(self):
7058 r"""clear_children(Hierarchy self)"""
7059 return _IMP_core.Hierarchy_clear_children(self)
7061 def add_child(self, h):
7062 r"""add_child(Hierarchy self, Hierarchy h)"""
7063 return _IMP_core.Hierarchy_add_child(self, h)
7065 def add_child_at(self, h, pos):
7066 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7067 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7069 def get_child_index(self, *args):
7071 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7072 get_child_index(Hierarchy self) -> int
7074 return _IMP_core.Hierarchy_get_child_index(self, *args)
7077 def get_default_traits():
7078 r"""get_default_traits() -> HierarchyTraits"""
7079 return _IMP_core.Hierarchy_get_default_traits()
7081 def get_traits(self):
7082 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7083 return _IMP_core.Hierarchy_get_traits(self)
7085 def add_attribute(self, *args):
7087 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7088 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7089 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7090 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7091 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7092 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7093 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7094 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7095 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7096 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7097 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7098 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7100 return _IMP_core.Hierarchy_add_attribute(self, *args)
7102 def get_value(self, *args):
7104 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7105 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7106 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7107 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7108 get_value(Hierarchy self, StringKey a0) -> IMP::String
7109 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7110 get_value(Hierarchy self, ObjectKey a0) -> Object
7111 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7112 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7113 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7114 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7116 return _IMP_core.Hierarchy_get_value(self, *args)
7118 def set_value(self, *args):
7120 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7121 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7122 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7123 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7124 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7125 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7126 set_value(Hierarchy self, ObjectKey a0, Object a1)
7127 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7128 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7129 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7130 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7132 return _IMP_core.Hierarchy_set_value(self, *args)
7134 def remove_attribute(self, *args):
7136 remove_attribute(Hierarchy self, FloatKey a0)
7137 remove_attribute(Hierarchy self, IntKey a0)
7138 remove_attribute(Hierarchy self, FloatsKey a0)
7139 remove_attribute(Hierarchy self, IntsKey a0)
7140 remove_attribute(Hierarchy self, StringKey a0)
7141 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7142 remove_attribute(Hierarchy self, ObjectKey a0)
7143 remove_attribute(Hierarchy self, SparseFloatKey a0)
7144 remove_attribute(Hierarchy self, SparseIntKey a0)
7145 remove_attribute(Hierarchy self, SparseStringKey a0)
7146 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7148 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7150 def has_attribute(self, *args):
7152 has_attribute(Hierarchy self, FloatKey a0) -> bool
7153 has_attribute(Hierarchy self, IntKey a0) -> bool
7154 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7155 has_attribute(Hierarchy self, IntsKey a0) -> bool
7156 has_attribute(Hierarchy self, StringKey a0) -> bool
7157 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7158 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7159 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7160 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7161 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7162 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7164 return _IMP_core.Hierarchy_has_attribute(self, *args)
7166 def get_derivative(self, a0):
7167 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7168 return _IMP_core.Hierarchy_get_derivative(self, a0)
7171 r"""get_name(Hierarchy self) -> std::string"""
7172 return _IMP_core.Hierarchy_get_name(self)
7174 def clear_caches(self):
7175 r"""clear_caches(Hierarchy self)"""
7176 return _IMP_core.Hierarchy_clear_caches(self)
7178 def set_name(self, a0):
7179 r"""set_name(Hierarchy self, std::string a0)"""
7180 return _IMP_core.Hierarchy_set_name(self, a0)
7183 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7184 return _IMP_core.Hierarchy_set_check_level(self, a0)
7186 def add_to_derivative(self, a0, a1, a2):
7187 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7188 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7190 def set_is_optimized(self, a0, a1):
7191 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7192 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7194 def get_is_optimized(self, a0):
7195 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7196 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7199 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7200 return _IMP_core.Hierarchy_get_check_level(self)
7202 def __eq__(self, *args):
7204 __eq__(Hierarchy self, Hierarchy o) -> bool
7205 __eq__(Hierarchy self, Particle d) -> bool
7207 return _IMP_core.Hierarchy___eq__(self, *args)
7209 def __ne__(self, *args):
7211 __ne__(Hierarchy self, Hierarchy o) -> bool
7212 __ne__(Hierarchy self, Particle d) -> bool
7214 return _IMP_core.Hierarchy___ne__(self, *args)
7216 def __le__(self, *args):
7218 __le__(Hierarchy self, Hierarchy o) -> bool
7219 __le__(Hierarchy self, Particle d) -> bool
7221 return _IMP_core.Hierarchy___le__(self, *args)
7223 def __lt__(self, *args):
7225 __lt__(Hierarchy self, Hierarchy o) -> bool
7226 __lt__(Hierarchy self, Particle d) -> bool
7228 return _IMP_core.Hierarchy___lt__(self, *args)
7230 def __ge__(self, *args):
7232 __ge__(Hierarchy self, Hierarchy o) -> bool
7233 __ge__(Hierarchy self, Particle d) -> bool
7235 return _IMP_core.Hierarchy___ge__(self, *args)
7237 def __gt__(self, *args):
7239 __gt__(Hierarchy self, Hierarchy o) -> bool
7240 __gt__(Hierarchy self, Particle d) -> bool
7242 return _IMP_core.Hierarchy___gt__(self, *args)
7245 r"""__hash__(Hierarchy self) -> std::size_t"""
7246 return _IMP_core.Hierarchy___hash__(self)
7249 r"""__str__(Hierarchy self) -> std::string"""
7250 return _IMP_core.Hierarchy___str__(self)
7253 r"""__repr__(Hierarchy self) -> std::string"""
7254 return _IMP_core.Hierarchy___repr__(self)
7255 __swig_destroy__ = _IMP_core.delete_Hierarchy
7258 _IMP_core.Hierarchy_swigregister(Hierarchy)
7259 class HierarchyVisitor(object):
7260 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7263 __repr__ = _swig_repr
7266 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7267 if self.__class__ == HierarchyVisitor:
7271 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7273 if self.__class__ != HierarchyVisitor:
7274 _director_objects.register(self)
7279 def __call__(self, p):
7280 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7281 return _IMP_core.HierarchyVisitor___call__(self, p)
7282 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7283 def __disown__(self):
7285 _IMP_core.disown_HierarchyVisitor(self)
7286 return weakref.proxy(self)
7289 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7290 class ModifierVisitor(HierarchyVisitor):
7291 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7294 __repr__ = _swig_repr
7296 def __init__(self, sm):
7297 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7298 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7299 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7302 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7303 class HierarchyCounter(HierarchyVisitor):
7304 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7309 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7310 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7312 def get_count(self):
7313 r"""get_count(HierarchyCounter self) -> unsigned int"""
7314 return _IMP_core.HierarchyCounter_get_count(self)
7316 def show(self, *args):
7317 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7318 return _IMP_core.HierarchyCounter_show(self, *args)
7321 r"""__str__(HierarchyCounter self) -> std::string"""
7322 return _IMP_core.HierarchyCounter___str__(self)
7325 r"""__repr__(HierarchyCounter self) -> std::string"""
7326 return _IMP_core.HierarchyCounter___repr__(self)
7328 def _get_as_binary(self):
7329 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7330 return _IMP_core.HierarchyCounter__get_as_binary(self)
7332 def _set_from_binary(self, p):
7333 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7334 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7336 def __getstate__(self):
7337 p = self._get_as_binary()
7338 if len(self.__dict__) > 1:
7339 d = self.__dict__.copy()
7344 def __setstate__(self, p):
7345 if not hasattr(self,
'this'):
7347 if isinstance(p, tuple):
7349 self.__dict__.update(d)
7350 return self._set_from_binary(p)
7352 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7355 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7358 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7359 return _IMP_core.get_leaves(mhd)
7362 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7363 return _IMP_core.get_internal(mhd)
7366 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7367 return _IMP_core.get_all_descendants(mhd)
7370 r"""get_root(Hierarchy h) -> Hierarchy"""
7371 return _IMP_core.get_root(h)
7374 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7375 return _IMP_core.visit_breadth_first(d, f)
7378 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7379 return _IMP_core.visit_depth_first(d, f)
7381 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7383 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7385 def __init__(self, tr):
7386 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7387 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7389 def do_get_inputs(self, m, pis):
7390 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7391 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7393 def get_version_info(self):
7394 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7395 return _IMP_core.LeavesRefiner_get_version_info(self)
7396 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7399 r"""__str__(LeavesRefiner self) -> std::string"""
7400 return _IMP_core.LeavesRefiner___str__(self)
7403 r"""__repr__(LeavesRefiner self) -> std::string"""
7404 return _IMP_core.LeavesRefiner___repr__(self)
7408 return _object_cast_to_LeavesRefiner(o)
7412 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7414 r"""Proxy of C++ IMP::core::Linear class."""
7416 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7418 def __init__(self, *args):
7420 __init__(Linear self, double offset, double slope) -> Linear
7421 __init__(Linear self) -> Linear
7423 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7425 def set_slope(self, f):
7426 r"""set_slope(Linear self, double f)"""
7427 return _IMP_core.Linear_set_slope(self, f)
7429 def get_slope(self):
7430 r"""get_slope(Linear self) -> double"""
7431 return _IMP_core.Linear_get_slope(self)
7433 def set_offset(self, f):
7434 r"""set_offset(Linear self, double f)"""
7435 return _IMP_core.Linear_set_offset(self, f)
7437 def get_offset(self):
7438 r"""get_offset(Linear self) -> double"""
7439 return _IMP_core.Linear_get_offset(self)
7441 def get_version_info(self):
7442 r"""get_version_info(Linear self) -> VersionInfo"""
7443 return _IMP_core.Linear_get_version_info(self)
7444 __swig_destroy__ = _IMP_core.delete_Linear
7447 r"""__str__(Linear self) -> std::string"""
7448 return _IMP_core.Linear___str__(self)
7451 r"""__repr__(Linear self) -> std::string"""
7452 return _IMP_core.Linear___repr__(self)
7456 return _object_cast_to_Linear(o)
7459 def _get_as_binary(self):
7460 r"""_get_as_binary(Linear self) -> PyObject *"""
7461 return _IMP_core.Linear__get_as_binary(self)
7463 def _set_from_binary(self, p):
7464 r"""_set_from_binary(Linear self, PyObject * p)"""
7465 return _IMP_core.Linear__set_from_binary(self, p)
7467 def __getstate__(self):
7468 p = self._get_as_binary()
7469 if len(self.__dict__) > 1:
7470 d = self.__dict__.copy()
7475 def __setstate__(self, p):
7476 if not hasattr(self,
'this'):
7478 if isinstance(p, tuple):
7480 self.__dict__.update(d)
7481 return self._set_from_binary(p)
7485 def score(val, slope, offset):
7486 return (val - offset) * slope
7487 return functools.partial(score, slope=self.get_slope(),
7488 offset=self.get_offset())
7492 _IMP_core.Linear_swigregister(Linear)
7493 class LogNormalMover(MonteCarloMover):
7494 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7498 def __init__(self, *args):
7500 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7501 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7502 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7503 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7504 __init__(LogNormalMover self) -> LogNormalMover
7506 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7508 def set_sigma(self, sigma):
7509 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7510 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7512 def get_sigma(self):
7513 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7514 return _IMP_core.LogNormalMover_get_sigma(self)
7516 def get_version_info(self):
7517 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7518 return _IMP_core.LogNormalMover_get_version_info(self)
7519 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7522 r"""__str__(LogNormalMover self) -> std::string"""
7523 return _IMP_core.LogNormalMover___str__(self)
7526 r"""__repr__(LogNormalMover self) -> std::string"""
7527 return _IMP_core.LogNormalMover___repr__(self)
7531 return _object_cast_to_LogNormalMover(o)
7534 def _get_as_binary(self):
7535 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7536 return _IMP_core.LogNormalMover__get_as_binary(self)
7538 def _set_from_binary(self, p):
7539 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7540 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7542 def __getstate__(self):
7543 p = self._get_as_binary()
7544 if len(self.__dict__) > 1:
7545 d = self.__dict__.copy()
7550 def __setstate__(self, p):
7551 if not hasattr(self,
'this'):
7553 if isinstance(p, tuple):
7555 self.__dict__.update(d)
7556 return self._set_from_binary(p)
7560 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7561 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7564 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7568 def __init__(self, m):
7569 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7570 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7572 def get_version_info(self):
7573 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7574 return _IMP_core.MonteCarlo_get_version_info(self)
7575 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7577 def set_return_best(self, tf):
7578 r"""set_return_best(MonteCarlo self, bool tf)"""
7579 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7581 def get_return_best(self):
7582 r"""get_return_best(MonteCarlo self) -> bool"""
7583 return _IMP_core.MonteCarlo_get_return_best(self)
7585 def set_score_moved(self, mv):
7586 r"""set_score_moved(MonteCarlo self, bool mv)"""
7587 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7589 def set_kt(self, t):
7590 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7591 return _IMP_core.MonteCarlo_set_kt(self, t)
7594 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7595 return _IMP_core.MonteCarlo_get_kt(self)
7597 def get_last_accepted_energy(self):
7598 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7599 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7601 def set_last_accepted_energy(self, energy):
7602 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7603 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7605 def get_best_accepted_energy(self):
7606 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7607 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7609 def set_best_accepted_energy(self, energy):
7610 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7611 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7613 def get_number_of_downward_steps(self):
7614 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7615 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7617 def get_number_of_upward_steps(self):
7618 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7619 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7621 def get_number_of_proposed_steps(self):
7622 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7623 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7625 def get_number_of_accepted_steps(self):
7626 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7627 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7629 def set_number_of_downward_steps(self, nsteps):
7630 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7631 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7633 def set_number_of_upward_steps(self, nsteps):
7634 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7635 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7637 def set_number_of_rejected_steps(self, nsteps):
7638 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7639 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7641 def reset_statistics(self):
7642 r"""reset_statistics(MonteCarlo self)"""
7643 return _IMP_core.MonteCarlo_reset_statistics(self)
7645 def set_score_threshold(self, s):
7646 r"""set_score_threshold(MonteCarlo self, double s)"""
7647 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7649 def get_score_threshold(self):
7650 r"""get_score_threshold(MonteCarlo self) -> double"""
7651 return _IMP_core.MonteCarlo_get_score_threshold(self)
7653 def set_maximum_difference(self, d):
7654 r"""set_maximum_difference(MonteCarlo self, double d)"""
7655 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7657 def get_maximum_difference(self):
7658 r"""get_maximum_difference(MonteCarlo self) -> double"""
7659 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7660 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)
7661 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7662 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7663 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7665 def remove_mover(self, d):
7666 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7667 return _IMP_core.MonteCarlo_remove_mover(self, d)
7669 def _python_index_mover(self, d, start, stop):
7670 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7671 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7673 def remove_movers(self, d):
7674 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7675 return _IMP_core.MonteCarlo_remove_movers(self, d)
7677 def set_movers(self, ps):
7678 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7679 return _IMP_core.MonteCarlo_set_movers(self, ps)
7681 def set_movers_order(self, objs):
7682 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7683 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7685 def add_mover(self, obj):
7686 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7687 return _IMP_core.MonteCarlo_add_mover(self, obj)
7689 def add_movers(self, objs):
7690 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7691 return _IMP_core.MonteCarlo_add_movers(self, objs)
7693 def clear_movers(self):
7694 r"""clear_movers(MonteCarlo self)"""
7695 return _IMP_core.MonteCarlo_clear_movers(self)
7697 def get_number_of_movers(self):
7698 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7699 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7701 def get_has_movers(self):
7702 r"""get_has_movers(MonteCarlo self) -> bool"""
7703 return _IMP_core.MonteCarlo_get_has_movers(self)
7705 def get_mover(self, i):
7706 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7707 return _IMP_core.MonteCarlo_get_mover(self, i)
7709 def get_movers(self):
7710 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7711 return _IMP_core.MonteCarlo_get_movers(self)
7713 def erase_mover(self, i):
7714 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7715 return _IMP_core.MonteCarlo_erase_mover(self, i)
7717 def reserve_movers(self, sz):
7718 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7719 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7722 r"""__str__(MonteCarlo self) -> std::string"""
7723 return _IMP_core.MonteCarlo___str__(self)
7726 r"""__repr__(MonteCarlo self) -> std::string"""
7727 return _IMP_core.MonteCarlo___repr__(self)
7731 return _object_cast_to_MonteCarlo(o)
7735 from IMP.core._jax_util
import _MCJAXInfo
7736 return _MCJAXInfo(self)
7738 def _get_jax_optimizer(self, max_steps):
7739 import IMP.core._jax_util
7740 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7742 def _optimize_jax(self, max_steps):
7743 opt = self._get_jax_optimizer(max_steps)
7744 score, mc_state = opt.optimize(opt.get_initial_state())
7749 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7750 class MonteCarloWithLocalOptimization(MonteCarlo):
7751 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7753 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7755 def __init__(self, opt, steps):
7756 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7757 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7759 def get_number_of_steps(self):
7760 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7761 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7763 def get_local_optimizer(self):
7764 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7765 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7766 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7769 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7770 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7773 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7774 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7778 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7782 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7783 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7784 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7786 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7788 def __init__(self, opt, ns):
7789 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7790 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7791 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7794 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7795 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7798 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7799 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7803 return _object_cast_to_MonteCarloWithBasinHopping(o)
7807 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7809 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7813 def __init__(self, *args):
7814 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7815 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7817 def get_neighbors(self, pi):
7818 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7819 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7821 def get_version_info(self):
7822 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7823 return _IMP_core.NeighborsTable_get_version_info(self)
7824 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7827 r"""__str__(NeighborsTable self) -> std::string"""
7828 return _IMP_core.NeighborsTable___str__(self)
7831 r"""__repr__(NeighborsTable self) -> std::string"""
7832 return _IMP_core.NeighborsTable___repr__(self)
7836 return _object_cast_to_NeighborsTable(o)
7840 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7841 class NormalMover(MonteCarloMover):
7842 r"""Proxy of C++ IMP::core::NormalMover class."""
7844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7846 def __init__(self, *args):
7848 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7849 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7850 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7851 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7852 __init__(NormalMover self) -> NormalMover
7854 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7856 def set_sigma(self, sigma):
7857 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7858 return _IMP_core.NormalMover_set_sigma(self, sigma)
7860 def get_sigma(self):
7861 r"""get_sigma(NormalMover self) -> IMP::Float"""
7862 return _IMP_core.NormalMover_get_sigma(self)
7864 def get_version_info(self):
7865 r"""get_version_info(NormalMover self) -> VersionInfo"""
7866 return _IMP_core.NormalMover_get_version_info(self)
7867 __swig_destroy__ = _IMP_core.delete_NormalMover
7870 r"""__str__(NormalMover self) -> std::string"""
7871 return _IMP_core.NormalMover___str__(self)
7874 r"""__repr__(NormalMover self) -> std::string"""
7875 return _IMP_core.NormalMover___repr__(self)
7879 return _object_cast_to_NormalMover(o)
7882 def _get_as_binary(self):
7883 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7884 return _IMP_core.NormalMover__get_as_binary(self)
7886 def _set_from_binary(self, p):
7887 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7888 return _IMP_core.NormalMover__set_from_binary(self, p)
7890 def __getstate__(self):
7891 p = self._get_as_binary()
7892 if len(self.__dict__) > 1:
7893 d = self.__dict__.copy()
7898 def __setstate__(self, p):
7899 if not hasattr(self,
'this'):
7901 if isinstance(p, tuple):
7903 self.__dict__.update(d)
7904 return self._set_from_binary(p)
7908 _IMP_core.NormalMover_swigregister(NormalMover)
7909 class OpenCubicSpline(_OpenCubicSplineBase):
7910 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7914 def __init__(self, values, minrange, spacing, extend=False):
7915 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7916 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7918 def get_minrange(self):
7919 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7920 return _IMP_core.OpenCubicSpline_get_minrange(self)
7922 def get_spacing(self):
7923 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7924 return _IMP_core.OpenCubicSpline_get_spacing(self)
7926 def get_values(self):
7927 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7928 return _IMP_core.OpenCubicSpline_get_values(self)
7930 def get_extend(self):
7931 r"""get_extend(OpenCubicSpline self) -> bool"""
7932 return _IMP_core.OpenCubicSpline_get_extend(self)
7934 def get_second_derivatives(self):
7935 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7936 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7939 r"""__str__(OpenCubicSpline self) -> std::string"""
7940 return _IMP_core.OpenCubicSpline___str__(self)
7943 r"""__repr__(OpenCubicSpline self) -> std::string"""
7944 return _IMP_core.OpenCubicSpline___repr__(self)
7948 return _object_cast_to_OpenCubicSpline(o)
7952 import jax.numpy
as jnp
7953 from IMP.core._jax_util
import _spline
7954 def score(feature, minrange, maxrange, spacing, values, second_derivs):
7956 feature = jnp.clip(feature, minrange, maxrange)
7958 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
7959 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
7960 values, second_derivs)
7961 spacing = self.get_spacing()
7962 minrange = self.get_minrange()
7963 values = jnp.asarray(self.get_values())
7964 maxrange = minrange + spacing * (len(values) - 1)
7965 return functools.partial(
7966 score, minrange=minrange, maxrange=maxrange,
7967 spacing=spacing, values=values,
7968 second_derivs=jnp.asarray(self.get_second_derivatives()))
7970 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
7973 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
7974 class QuadraticClosePairsFinder(ClosePairsFinder):
7975 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
7977 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7980 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
7981 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
7983 def get_are_close_and_filtered(self, *args):
7985 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
7986 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
7988 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
7990 def get_close_pairs(self, *args):
7992 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7993 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7994 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
7995 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
7997 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
7999 def do_get_inputs(self, m, pis):
8000 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8001 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8003 def get_version_info(self):
8004 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8005 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8006 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8009 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8010 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8013 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8014 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8018 return _object_cast_to_QuadraticClosePairsFinder(o)
8022 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8024 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8028 def __init__(self, r, f):
8029 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8030 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8032 def do_get_inputs(self, m, pis):
8033 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8034 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8036 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8037 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"""
8038 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8040 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8041 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"""
8042 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8044 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8045 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"""
8046 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8048 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8049 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"""
8050 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8052 def get_version_info(self):
8053 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8054 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8055 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8058 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8059 return _IMP_core.RefinedPairsPairScore___str__(self)
8062 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8063 return _IMP_core.RefinedPairsPairScore___repr__(self)
8067 return _object_cast_to_RefinedPairsPairScore(o)
8071 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8072 class RigidBody(XYZ):
8073 r"""Proxy of C++ IMP::core::RigidBody class."""
8075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8077 def get_rigid_members(self):
8078 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8079 return _IMP_core.RigidBody_get_rigid_members(self)
8082 def get_rotation_keys():
8083 r"""get_rotation_keys() -> IMP::FloatKeys"""
8084 return _IMP_core.RigidBody_get_rotation_keys()
8086 def get_member_particle_indexes(self):
8087 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8088 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8090 def get_body_member_particle_indexes(self):
8091 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8092 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8094 def get_member_indexes(self):
8095 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8096 return _IMP_core.RigidBody_get_member_indexes(self)
8098 def show(self, *args):
8099 r"""show(RigidBody self, _ostream out=std::cout)"""
8100 return _IMP_core.RigidBody_show(self, *args)
8103 def setup_particle(*args):
8105 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8106 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8107 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8108 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8110 return _IMP_core.RigidBody_setup_particle(*args)
8113 def teardown_particle(rb):
8114 r"""teardown_particle(RigidBody rb)"""
8115 return _IMP_core.RigidBody_teardown_particle(rb)
8117 def __init__(self, *args):
8119 __init__(RigidBody self) -> RigidBody
8120 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8121 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8122 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8124 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8125 __swig_destroy__ = _IMP_core.delete_RigidBody
8128 def get_is_setup(*args):
8130 get_is_setup(_ParticleAdaptor p) -> bool
8131 get_is_setup(Model m, ParticleIndex pi) -> bool
8133 return _IMP_core.RigidBody_get_is_setup(*args)
8135 def get_coordinates(self):
8136 r"""get_coordinates(RigidBody self) -> Vector3D"""
8137 return _IMP_core.RigidBody_get_coordinates(self)
8139 def get_rotation(self):
8140 r"""get_rotation(RigidBody self) -> Rotation3D"""
8141 return _IMP_core.RigidBody_get_rotation(self)
8143 def get_reference_frame(self):
8144 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8145 return _IMP_core.RigidBody_get_reference_frame(self)
8147 def set_reference_frame(self, tr):
8148 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8149 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8151 def set_reference_frame_lazy(self, tr):
8152 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8153 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8155 def set_reference_frame_from_members(self, members):
8156 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8157 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8159 def pull_back_members_adjoints(self, da):
8160 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8161 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8163 def pull_back_member_adjoints(self, pi, da):
8164 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8165 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8167 def pull_back_body_member_adjoints(self, pi, da):
8168 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8169 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8171 def add_to_derivatives(self, *args):
8173 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8174 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8176 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8178 def add_to_rotational_derivatives(self, *args):
8180 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8181 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8183 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8185 def add_to_torque(self, torque_local, da):
8186 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8187 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8189 def get_torque(self):
8190 r"""get_torque(RigidBody self) -> Vector3D"""
8191 return _IMP_core.RigidBody_get_torque(self)
8193 def get_coordinates_are_optimized(self):
8194 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8195 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8197 def set_coordinates_are_optimized(self, tf):
8198 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8199 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8201 def normalize_rotation(self):
8202 r"""normalize_rotation(RigidBody self)"""
8203 return _IMP_core.RigidBody_normalize_rotation(self)
8205 def update_members(self):
8206 r"""update_members(RigidBody self)"""
8207 return _IMP_core.RigidBody_update_members(self)
8209 def get_rotational_derivatives(self):
8210 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8211 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8213 def get_number_of_members(self):
8214 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8215 return _IMP_core.RigidBody_get_number_of_members(self)
8217 def get_member(self, i):
8218 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8219 return _IMP_core.RigidBody_get_member(self, i)
8221 def add_member(self, p):
8222 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8223 return _IMP_core.RigidBody_add_member(self, p)
8225 def add_non_rigid_member(self, p):
8226 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8227 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8229 def set_is_rigid_member(self, pi, tf):
8230 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8231 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8233 def remove_member(self, p):
8234 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8235 return _IMP_core.RigidBody_remove_member(self, p)
8237 def add_attribute(self, *args):
8239 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8240 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8241 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8242 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8243 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8244 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8245 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8246 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8247 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8248 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8249 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8250 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8252 return _IMP_core.RigidBody_add_attribute(self, *args)
8254 def get_value(self, *args):
8256 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8257 get_value(RigidBody self, IntKey a0) -> IMP::Int
8258 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8259 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8260 get_value(RigidBody self, StringKey a0) -> IMP::String
8261 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8262 get_value(RigidBody self, ObjectKey a0) -> Object
8263 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8264 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8265 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8266 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8268 return _IMP_core.RigidBody_get_value(self, *args)
8270 def set_value(self, *args):
8272 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8273 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8274 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8275 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8276 set_value(RigidBody self, StringKey a0, IMP::String a1)
8277 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8278 set_value(RigidBody self, ObjectKey a0, Object a1)
8279 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8280 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8281 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8282 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8284 return _IMP_core.RigidBody_set_value(self, *args)
8286 def remove_attribute(self, *args):
8288 remove_attribute(RigidBody self, FloatKey a0)
8289 remove_attribute(RigidBody self, IntKey a0)
8290 remove_attribute(RigidBody self, FloatsKey a0)
8291 remove_attribute(RigidBody self, IntsKey a0)
8292 remove_attribute(RigidBody self, StringKey a0)
8293 remove_attribute(RigidBody self, ParticleIndexKey a0)
8294 remove_attribute(RigidBody self, ObjectKey a0)
8295 remove_attribute(RigidBody self, SparseFloatKey a0)
8296 remove_attribute(RigidBody self, SparseIntKey a0)
8297 remove_attribute(RigidBody self, SparseStringKey a0)
8298 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8300 return _IMP_core.RigidBody_remove_attribute(self, *args)
8302 def has_attribute(self, *args):
8304 has_attribute(RigidBody self, FloatKey a0) -> bool
8305 has_attribute(RigidBody self, IntKey a0) -> bool
8306 has_attribute(RigidBody self, FloatsKey a0) -> bool
8307 has_attribute(RigidBody self, IntsKey a0) -> bool
8308 has_attribute(RigidBody self, StringKey a0) -> bool
8309 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8310 has_attribute(RigidBody self, ObjectKey a0) -> bool
8311 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8312 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8313 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8314 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8316 return _IMP_core.RigidBody_has_attribute(self, *args)
8318 def get_derivative(self, a0):
8319 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8320 return _IMP_core.RigidBody_get_derivative(self, a0)
8323 r"""get_name(RigidBody self) -> std::string"""
8324 return _IMP_core.RigidBody_get_name(self)
8326 def clear_caches(self):
8327 r"""clear_caches(RigidBody self)"""
8328 return _IMP_core.RigidBody_clear_caches(self)
8330 def set_name(self, a0):
8331 r"""set_name(RigidBody self, std::string a0)"""
8332 return _IMP_core.RigidBody_set_name(self, a0)
8335 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8336 return _IMP_core.RigidBody_set_check_level(self, a0)
8338 def add_to_derivative(self, a0, a1, a2):
8339 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8340 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8342 def set_is_optimized(self, a0, a1):
8343 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8344 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8346 def get_is_optimized(self, a0):
8347 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8348 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8351 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8352 return _IMP_core.RigidBody_get_check_level(self)
8354 def __eq__(self, *args):
8356 __eq__(RigidBody self, RigidBody o) -> bool
8357 __eq__(RigidBody self, Particle d) -> bool
8359 return _IMP_core.RigidBody___eq__(self, *args)
8361 def __ne__(self, *args):
8363 __ne__(RigidBody self, RigidBody o) -> bool
8364 __ne__(RigidBody self, Particle d) -> bool
8366 return _IMP_core.RigidBody___ne__(self, *args)
8368 def __le__(self, *args):
8370 __le__(RigidBody self, RigidBody o) -> bool
8371 __le__(RigidBody self, Particle d) -> bool
8373 return _IMP_core.RigidBody___le__(self, *args)
8375 def __lt__(self, *args):
8377 __lt__(RigidBody self, RigidBody o) -> bool
8378 __lt__(RigidBody self, Particle d) -> bool
8380 return _IMP_core.RigidBody___lt__(self, *args)
8382 def __ge__(self, *args):
8384 __ge__(RigidBody self, RigidBody o) -> bool
8385 __ge__(RigidBody self, Particle d) -> bool
8387 return _IMP_core.RigidBody___ge__(self, *args)
8389 def __gt__(self, *args):
8391 __gt__(RigidBody self, RigidBody o) -> bool
8392 __gt__(RigidBody self, Particle d) -> bool
8394 return _IMP_core.RigidBody___gt__(self, *args)
8397 r"""__hash__(RigidBody self) -> std::size_t"""
8398 return _IMP_core.RigidBody___hash__(self)
8401 r"""__str__(RigidBody self) -> std::string"""
8402 return _IMP_core.RigidBody___str__(self)
8405 r"""__repr__(RigidBody self) -> std::string"""
8406 return _IMP_core.RigidBody___repr__(self)
8408 def _get_as_binary(self):
8409 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8410 return _IMP_core.RigidBody__get_as_binary(self)
8412 def _set_from_binary(self, p):
8413 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8414 return _IMP_core.RigidBody__set_from_binary(self, p)
8416 def __getstate__(self):
8417 p = self._get_as_binary()
8418 if len(self.__dict__) > 1:
8419 d = self.__dict__.copy()
8424 def __setstate__(self, p):
8425 if not hasattr(self,
'this'):
8427 if isinstance(p, tuple):
8429 self.__dict__.update(d)
8430 return self._set_from_binary(p)
8434 _IMP_core.RigidBody_swigregister(RigidBody)
8437 r"""add_rigid_body_cache_key(ObjectKey k)"""
8438 return _IMP_core.add_rigid_body_cache_key(k)
8439 class RigidBodyMember(XYZ):
8440 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8442 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8444 def show(self, *args):
8445 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8446 return _IMP_core.RigidBodyMember_show(self, *args)
8448 def get_rigid_body(self):
8449 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8450 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8452 def get_internal_coordinates(self):
8453 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8454 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8456 def set_internal_coordinates(self, v):
8457 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8458 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8460 def set_internal_transformation(self, v):
8461 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8462 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8464 def get_internal_transformation(self):
8465 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8466 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8467 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8469 def set_coordinates(self, *args):
8471 set_coordinates(RigidBodyMember self, Vector3D center)
8472 set_coordinates(RigidBodyMember self, Transformation3D tr)
8474 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8476 def __init__(self, *args):
8478 __init__(RigidBodyMember self) -> RigidBodyMember
8479 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8480 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8481 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8483 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8486 def get_is_setup(*args):
8488 get_is_setup(_ParticleAdaptor p) -> bool
8489 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8491 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8494 def get_internal_coordinate_keys():
8495 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8496 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8499 def get_internal_rotation_keys():
8500 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8501 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8503 def add_attribute(self, *args):
8505 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8506 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8507 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8508 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8509 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8510 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8511 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8512 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8513 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8514 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8515 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8516 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8518 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8520 def get_value(self, *args):
8522 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8523 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8524 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8525 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8526 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8527 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8528 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8529 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8530 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8531 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8532 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8534 return _IMP_core.RigidBodyMember_get_value(self, *args)
8536 def set_value(self, *args):
8538 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8539 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8540 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8541 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8542 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8543 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8544 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8545 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8546 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8547 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8548 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8550 return _IMP_core.RigidBodyMember_set_value(self, *args)
8552 def remove_attribute(self, *args):
8554 remove_attribute(RigidBodyMember self, FloatKey a0)
8555 remove_attribute(RigidBodyMember self, IntKey a0)
8556 remove_attribute(RigidBodyMember self, FloatsKey a0)
8557 remove_attribute(RigidBodyMember self, IntsKey a0)
8558 remove_attribute(RigidBodyMember self, StringKey a0)
8559 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8560 remove_attribute(RigidBodyMember self, ObjectKey a0)
8561 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8562 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8563 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8564 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8566 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8568 def has_attribute(self, *args):
8570 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8571 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8572 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8573 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8574 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8575 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8576 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8577 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8578 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8579 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8580 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8582 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8584 def get_derivative(self, a0):
8585 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8586 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8589 r"""get_name(RigidBodyMember self) -> std::string"""
8590 return _IMP_core.RigidBodyMember_get_name(self)
8592 def clear_caches(self):
8593 r"""clear_caches(RigidBodyMember self)"""
8594 return _IMP_core.RigidBodyMember_clear_caches(self)
8596 def set_name(self, a0):
8597 r"""set_name(RigidBodyMember self, std::string a0)"""
8598 return _IMP_core.RigidBodyMember_set_name(self, a0)
8601 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8602 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8604 def add_to_derivative(self, a0, a1, a2):
8605 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8606 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8608 def set_is_optimized(self, a0, a1):
8609 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8610 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8612 def get_is_optimized(self, a0):
8613 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8614 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8617 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8618 return _IMP_core.RigidBodyMember_get_check_level(self)
8620 def __eq__(self, *args):
8622 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8623 __eq__(RigidBodyMember self, Particle d) -> bool
8625 return _IMP_core.RigidBodyMember___eq__(self, *args)
8627 def __ne__(self, *args):
8629 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8630 __ne__(RigidBodyMember self, Particle d) -> bool
8632 return _IMP_core.RigidBodyMember___ne__(self, *args)
8634 def __le__(self, *args):
8636 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8637 __le__(RigidBodyMember self, Particle d) -> bool
8639 return _IMP_core.RigidBodyMember___le__(self, *args)
8641 def __lt__(self, *args):
8643 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8644 __lt__(RigidBodyMember self, Particle d) -> bool
8646 return _IMP_core.RigidBodyMember___lt__(self, *args)
8648 def __ge__(self, *args):
8650 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8651 __ge__(RigidBodyMember self, Particle d) -> bool
8653 return _IMP_core.RigidBodyMember___ge__(self, *args)
8655 def __gt__(self, *args):
8657 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8658 __gt__(RigidBodyMember self, Particle d) -> bool
8660 return _IMP_core.RigidBodyMember___gt__(self, *args)
8663 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8664 return _IMP_core.RigidBodyMember___hash__(self)
8667 r"""__str__(RigidBodyMember self) -> std::string"""
8668 return _IMP_core.RigidBodyMember___str__(self)
8671 r"""__repr__(RigidBodyMember self) -> std::string"""
8672 return _IMP_core.RigidBodyMember___repr__(self)
8674 def _get_as_binary(self):
8675 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8676 return _IMP_core.RigidBodyMember__get_as_binary(self)
8678 def _set_from_binary(self, p):
8679 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8680 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8682 def __getstate__(self):
8683 p = self._get_as_binary()
8684 if len(self.__dict__) > 1:
8685 d = self.__dict__.copy()
8690 def __setstate__(self, p):
8691 if not hasattr(self,
'this'):
8693 if isinstance(p, tuple):
8695 self.__dict__.update(d)
8696 return self._set_from_binary(p)
8700 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8701 class RigidMember(RigidBodyMember):
8702 r"""Proxy of C++ IMP::core::RigidMember class."""
8704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8706 def show(self, *args):
8707 r"""show(RigidMember self, _ostream out=std::cout)"""
8708 return _IMP_core.RigidMember_show(self, *args)
8710 def __init__(self, *args):
8712 __init__(RigidMember self) -> RigidMember
8713 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8714 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8715 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8717 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8718 __swig_destroy__ = _IMP_core.delete_RigidMember
8721 def get_is_setup(*args):
8723 get_is_setup(_ParticleAdaptor p) -> bool
8724 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8726 return _IMP_core.RigidMember_get_is_setup(*args)
8728 def add_attribute(self, *args):
8730 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8731 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8732 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8733 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8734 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8735 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8736 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8737 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8738 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8739 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8740 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8741 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8743 return _IMP_core.RigidMember_add_attribute(self, *args)
8745 def get_value(self, *args):
8747 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8748 get_value(RigidMember self, IntKey a0) -> IMP::Int
8749 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8750 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8751 get_value(RigidMember self, StringKey a0) -> IMP::String
8752 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8753 get_value(RigidMember self, ObjectKey a0) -> Object
8754 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8755 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8756 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8757 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8759 return _IMP_core.RigidMember_get_value(self, *args)
8761 def set_value(self, *args):
8763 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8764 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8765 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8766 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8767 set_value(RigidMember self, StringKey a0, IMP::String a1)
8768 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8769 set_value(RigidMember self, ObjectKey a0, Object a1)
8770 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8771 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8772 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8773 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8775 return _IMP_core.RigidMember_set_value(self, *args)
8777 def remove_attribute(self, *args):
8779 remove_attribute(RigidMember self, FloatKey a0)
8780 remove_attribute(RigidMember self, IntKey a0)
8781 remove_attribute(RigidMember self, FloatsKey a0)
8782 remove_attribute(RigidMember self, IntsKey a0)
8783 remove_attribute(RigidMember self, StringKey a0)
8784 remove_attribute(RigidMember self, ParticleIndexKey a0)
8785 remove_attribute(RigidMember self, ObjectKey a0)
8786 remove_attribute(RigidMember self, SparseFloatKey a0)
8787 remove_attribute(RigidMember self, SparseIntKey a0)
8788 remove_attribute(RigidMember self, SparseStringKey a0)
8789 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8791 return _IMP_core.RigidMember_remove_attribute(self, *args)
8793 def has_attribute(self, *args):
8795 has_attribute(RigidMember self, FloatKey a0) -> bool
8796 has_attribute(RigidMember self, IntKey a0) -> bool
8797 has_attribute(RigidMember self, FloatsKey a0) -> bool
8798 has_attribute(RigidMember self, IntsKey a0) -> bool
8799 has_attribute(RigidMember self, StringKey a0) -> bool
8800 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8801 has_attribute(RigidMember self, ObjectKey a0) -> bool
8802 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8803 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8804 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8805 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8807 return _IMP_core.RigidMember_has_attribute(self, *args)
8809 def get_derivative(self, a0):
8810 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8811 return _IMP_core.RigidMember_get_derivative(self, a0)
8814 r"""get_name(RigidMember self) -> std::string"""
8815 return _IMP_core.RigidMember_get_name(self)
8817 def clear_caches(self):
8818 r"""clear_caches(RigidMember self)"""
8819 return _IMP_core.RigidMember_clear_caches(self)
8821 def set_name(self, a0):
8822 r"""set_name(RigidMember self, std::string a0)"""
8823 return _IMP_core.RigidMember_set_name(self, a0)
8826 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8827 return _IMP_core.RigidMember_set_check_level(self, a0)
8829 def add_to_derivative(self, a0, a1, a2):
8830 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8831 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8833 def set_is_optimized(self, a0, a1):
8834 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8835 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8837 def get_is_optimized(self, a0):
8838 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8839 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8842 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8843 return _IMP_core.RigidMember_get_check_level(self)
8845 def __eq__(self, *args):
8847 __eq__(RigidMember self, RigidMember o) -> bool
8848 __eq__(RigidMember self, Particle d) -> bool
8850 return _IMP_core.RigidMember___eq__(self, *args)
8852 def __ne__(self, *args):
8854 __ne__(RigidMember self, RigidMember o) -> bool
8855 __ne__(RigidMember self, Particle d) -> bool
8857 return _IMP_core.RigidMember___ne__(self, *args)
8859 def __le__(self, *args):
8861 __le__(RigidMember self, RigidMember o) -> bool
8862 __le__(RigidMember self, Particle d) -> bool
8864 return _IMP_core.RigidMember___le__(self, *args)
8866 def __lt__(self, *args):
8868 __lt__(RigidMember self, RigidMember o) -> bool
8869 __lt__(RigidMember self, Particle d) -> bool
8871 return _IMP_core.RigidMember___lt__(self, *args)
8873 def __ge__(self, *args):
8875 __ge__(RigidMember self, RigidMember o) -> bool
8876 __ge__(RigidMember self, Particle d) -> bool
8878 return _IMP_core.RigidMember___ge__(self, *args)
8880 def __gt__(self, *args):
8882 __gt__(RigidMember self, RigidMember o) -> bool
8883 __gt__(RigidMember self, Particle d) -> bool
8885 return _IMP_core.RigidMember___gt__(self, *args)
8888 r"""__hash__(RigidMember self) -> std::size_t"""
8889 return _IMP_core.RigidMember___hash__(self)
8892 r"""__str__(RigidMember self) -> std::string"""
8893 return _IMP_core.RigidMember___str__(self)
8896 r"""__repr__(RigidMember self) -> std::string"""
8897 return _IMP_core.RigidMember___repr__(self)
8899 def _get_as_binary(self):
8900 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8901 return _IMP_core.RigidMember__get_as_binary(self)
8903 def _set_from_binary(self, p):
8904 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8905 return _IMP_core.RigidMember__set_from_binary(self, p)
8907 def __getstate__(self):
8908 p = self._get_as_binary()
8909 if len(self.__dict__) > 1:
8910 d = self.__dict__.copy()
8915 def __setstate__(self, p):
8916 if not hasattr(self,
'this'):
8918 if isinstance(p, tuple):
8920 self.__dict__.update(d)
8921 return self._set_from_binary(p)
8925 _IMP_core.RigidMember_swigregister(RigidMember)
8926 class NonRigidMember(RigidBodyMember):
8927 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8931 def show(self, *args):
8932 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8933 return _IMP_core.NonRigidMember_show(self, *args)
8935 def __init__(self, *args):
8937 __init__(NonRigidMember self) -> NonRigidMember
8938 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8939 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8940 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8942 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8943 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8946 def get_is_setup(*args):
8948 get_is_setup(_ParticleAdaptor p) -> bool
8949 get_is_setup(Model m, ParticleIndex p) -> bool
8951 return _IMP_core.NonRigidMember_get_is_setup(*args)
8953 def add_to_internal_derivatives(self, deriv_parent, da):
8954 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8955 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8957 def add_to_internal_rotational_derivatives(self, *args):
8959 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
8960 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
8962 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
8964 def get_internal_derivatives(self):
8965 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
8966 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
8968 def get_internal_rotational_derivatives(self):
8969 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
8970 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
8972 def add_attribute(self, *args):
8974 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
8975 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
8976 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
8977 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8978 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8979 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
8980 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8981 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
8982 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8983 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8984 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8985 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8987 return _IMP_core.NonRigidMember_add_attribute(self, *args)
8989 def get_value(self, *args):
8991 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
8992 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
8993 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
8994 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
8995 get_value(NonRigidMember self, StringKey a0) -> IMP::String
8996 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
8997 get_value(NonRigidMember self, ObjectKey a0) -> Object
8998 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
8999 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9000 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9001 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9003 return _IMP_core.NonRigidMember_get_value(self, *args)
9005 def set_value(self, *args):
9007 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9008 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9009 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9010 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9011 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9012 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9013 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9014 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9015 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9016 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9017 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9019 return _IMP_core.NonRigidMember_set_value(self, *args)
9021 def remove_attribute(self, *args):
9023 remove_attribute(NonRigidMember self, FloatKey a0)
9024 remove_attribute(NonRigidMember self, IntKey a0)
9025 remove_attribute(NonRigidMember self, FloatsKey a0)
9026 remove_attribute(NonRigidMember self, IntsKey a0)
9027 remove_attribute(NonRigidMember self, StringKey a0)
9028 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9029 remove_attribute(NonRigidMember self, ObjectKey a0)
9030 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9031 remove_attribute(NonRigidMember self, SparseIntKey a0)
9032 remove_attribute(NonRigidMember self, SparseStringKey a0)
9033 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9035 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9037 def has_attribute(self, *args):
9039 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9040 has_attribute(NonRigidMember self, IntKey a0) -> bool
9041 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9042 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9043 has_attribute(NonRigidMember self, StringKey a0) -> bool
9044 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9045 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9046 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9047 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9048 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9049 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9051 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9053 def get_derivative(self, a0):
9054 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9055 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9058 r"""get_name(NonRigidMember self) -> std::string"""
9059 return _IMP_core.NonRigidMember_get_name(self)
9061 def clear_caches(self):
9062 r"""clear_caches(NonRigidMember self)"""
9063 return _IMP_core.NonRigidMember_clear_caches(self)
9065 def set_name(self, a0):
9066 r"""set_name(NonRigidMember self, std::string a0)"""
9067 return _IMP_core.NonRigidMember_set_name(self, a0)
9070 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9071 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9073 def add_to_derivative(self, a0, a1, a2):
9074 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9075 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9077 def set_is_optimized(self, a0, a1):
9078 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9079 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9081 def get_is_optimized(self, a0):
9082 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9083 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9086 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9087 return _IMP_core.NonRigidMember_get_check_level(self)
9089 def __eq__(self, *args):
9091 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9092 __eq__(NonRigidMember self, Particle d) -> bool
9094 return _IMP_core.NonRigidMember___eq__(self, *args)
9096 def __ne__(self, *args):
9098 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9099 __ne__(NonRigidMember self, Particle d) -> bool
9101 return _IMP_core.NonRigidMember___ne__(self, *args)
9103 def __le__(self, *args):
9105 __le__(NonRigidMember self, NonRigidMember o) -> bool
9106 __le__(NonRigidMember self, Particle d) -> bool
9108 return _IMP_core.NonRigidMember___le__(self, *args)
9110 def __lt__(self, *args):
9112 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9113 __lt__(NonRigidMember self, Particle d) -> bool
9115 return _IMP_core.NonRigidMember___lt__(self, *args)
9117 def __ge__(self, *args):
9119 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9120 __ge__(NonRigidMember self, Particle d) -> bool
9122 return _IMP_core.NonRigidMember___ge__(self, *args)
9124 def __gt__(self, *args):
9126 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9127 __gt__(NonRigidMember self, Particle d) -> bool
9129 return _IMP_core.NonRigidMember___gt__(self, *args)
9132 r"""__hash__(NonRigidMember self) -> std::size_t"""
9133 return _IMP_core.NonRigidMember___hash__(self)
9136 r"""__str__(NonRigidMember self) -> std::string"""
9137 return _IMP_core.NonRigidMember___str__(self)
9140 r"""__repr__(NonRigidMember self) -> std::string"""
9141 return _IMP_core.NonRigidMember___repr__(self)
9143 def _get_as_binary(self):
9144 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9145 return _IMP_core.NonRigidMember__get_as_binary(self)
9147 def _set_from_binary(self, p):
9148 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9149 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9151 def __getstate__(self):
9152 p = self._get_as_binary()
9153 if len(self.__dict__) > 1:
9154 d = self.__dict__.copy()
9159 def __setstate__(self, p):
9160 if not hasattr(self,
'this'):
9162 if isinstance(p, tuple):
9164 self.__dict__.update(d)
9165 return self._set_from_binary(p)
9169 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9171 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9173 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9175 def __init__(self, *args):
9176 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9177 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9179 def do_get_inputs(self, m, pis):
9180 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9181 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9183 def get_version_info(self):
9184 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9185 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9186 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9189 r"""__str__(RigidMembersRefiner self) -> std::string"""
9190 return _IMP_core.RigidMembersRefiner___str__(self)
9193 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9194 return _IMP_core.RigidMembersRefiner___repr__(self)
9198 return _object_cast_to_RigidMembersRefiner(o)
9202 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9204 def get_rigid_members_refiner():
9205 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9206 return _IMP_core.get_rigid_members_refiner()
9210 transform(XYZ a, Transformation3D tr)
9211 transform(RigidBody a, Transformation3D tr)
9213 return _IMP_core.transform(*args)
9217 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9218 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9220 return _IMP_core.get_initial_reference_frame(*args)
9223 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9224 return _IMP_core.create_rigid_bodies(m, n, no_members)
9227 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9228 return _IMP_core.show_rigid_body_hierarchy(*args)
9231 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9232 return _IMP_core.get_root_rigid_body(m)
9234 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9238 def __init__(self, *args):
9239 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9240 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9242 def do_get_inputs(self, m, pis):
9243 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9244 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9246 def do_get_outputs(self, m, pis):
9247 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9248 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9250 def get_version_info(self):
9251 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9252 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9253 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9256 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9257 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9260 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9261 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9265 return _object_cast_to__UpdateRigidBodyMembers(o)
9269 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9271 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9273 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9275 def __init__(self, *args):
9276 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9277 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9279 def do_get_inputs(self, m, pis):
9280 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9281 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9283 def do_get_outputs(self, m, pis):
9284 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9285 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9287 def get_version_info(self):
9288 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9289 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9290 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9293 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9294 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9297 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9298 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9302 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9306 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9308 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9310 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9312 def __init__(self, *args):
9313 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9314 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9316 def do_get_inputs(self, m, pis):
9317 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9318 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9320 def do_get_outputs(self, m, pis):
9321 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9322 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9324 def get_version_info(self):
9325 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9326 return _IMP_core._NormalizeRotation_get_version_info(self)
9327 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9330 r"""__str__(_NormalizeRotation self) -> std::string"""
9331 return _IMP_core._NormalizeRotation___str__(self)
9334 r"""__repr__(_NormalizeRotation self) -> std::string"""
9335 return _IMP_core._NormalizeRotation___repr__(self)
9339 return _object_cast_to__NormalizeRotation(o)
9343 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9345 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9347 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9349 def __init__(self, *args, **kwargs):
9350 raise AttributeError(
"No constructor defined - class is abstract")
9352 def get_before_modifier(self):
9353 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9354 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9356 def get_container(self):
9357 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9358 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9360 def get_version_info(self):
9361 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9362 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9363 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9366 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9367 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9370 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9371 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9375 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9379 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9381 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9383 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9385 def __init__(self, *args, **kwargs):
9386 raise AttributeError(
"No constructor defined - class is abstract")
9388 def get_version_info(self):
9389 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9390 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9391 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9393 def get_before_modifier(self):
9394 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9395 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9397 def get_after_modifier(self):
9398 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9399 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9402 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9403 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9406 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9407 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9410 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9411 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9415 return _object_cast_to__RigidBodyPositionConstraint(o)
9419 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9421 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9425 def __init__(self, rb, constituents):
9426 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9427 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9429 def get_version_info(self):
9430 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9431 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9432 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9435 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9436 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9439 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9440 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9444 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9448 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9450 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9452 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9454 def __init__(self, *args):
9456 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9457 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9459 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9461 def get_version_info(self):
9462 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9463 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9464 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9467 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9468 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9471 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9472 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9476 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9480 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9482 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9484 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9486 def __init__(self, sc):
9487 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9488 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9490 def get_version_info(self):
9491 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9492 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9493 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9496 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9497 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9500 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9501 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9505 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9509 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9511 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9515 def __init__(self, *args):
9517 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9518 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9520 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9522 def get_version_info(self):
9523 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9524 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9525 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9528 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9529 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9532 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9533 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9537 return _object_cast_to_RigidBodyFrameGeometry(o)
9541 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9543 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9545 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9547 def __init__(self, sc):
9548 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9549 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9551 def get_version_info(self):
9552 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9553 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9554 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9557 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9558 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9561 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9562 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9566 return _object_cast_to_RigidBodyFramesGeometry(o)
9570 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9572 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9576 def __init__(self, p):
9577 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9578 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9581 r"""__str__(RigidBodyTorque self) -> std::string"""
9582 return _IMP_core.RigidBodyTorque___str__(self)
9585 r"""__repr__(RigidBodyTorque self) -> std::string"""
9586 return _IMP_core.RigidBodyTorque___repr__(self)
9590 return _object_cast_to_RigidBodyTorque(o)
9592 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9595 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9596 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9597 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9599 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9602 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9603 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9605 def get_close_pairs(self, *args):
9607 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9608 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9609 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9610 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9612 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9614 def do_get_inputs(self, m, pis):
9615 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9616 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9618 def get_version_info(self):
9619 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9620 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9621 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9624 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9625 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9628 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9629 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9633 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9637 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9639 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9641 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9643 def __init__(self, *args):
9645 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9646 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9647 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9649 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9651 def do_add_score_and_derivatives(self, sa, ss):
9652 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9653 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9655 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9656 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)"""
9657 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9659 def do_get_inputs(self):
9660 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9661 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9663 def get_restraints(self):
9664 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9665 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9667 def set_restraints(self, d):
9668 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9669 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9671 def get_number_of_restraints(self):
9672 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9673 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9675 def clear_restraints(self):
9676 r"""clear_restraints(RestraintsScoringFunction self)"""
9677 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9679 def get_restraint(self, i):
9680 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9681 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9683 def erase_restraint(self, i):
9684 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9685 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9688 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9689 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9692 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9693 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9695 def _python_index_restraint(self, r, start, stop):
9696 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9697 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9698 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)
9699 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9700 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9701 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9703 def get_version_info(self):
9704 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9705 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9706 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9709 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9710 return _IMP_core.RestraintsScoringFunction___str__(self)
9713 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9714 return _IMP_core.RestraintsScoringFunction___repr__(self)
9718 return _object_cast_to_RestraintsScoringFunction(o)
9721 def _get_as_binary(self):
9722 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9723 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9725 def _set_from_binary(self, p):
9726 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9727 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9729 def __getstate__(self):
9730 p = self._get_as_binary()
9731 if len(self.__dict__) > 1:
9732 d = self.__dict__.copy()
9737 def __setstate__(self, p):
9738 if not hasattr(self,
'this'):
9740 if isinstance(p, tuple):
9742 self.__dict__.update(d)
9743 return self._set_from_binary(p)
9747 import IMP._jax_util
9748 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9749 funcs = [j.score_func
for j
in jis]
9750 keys = frozenset(x
for j
in jis
for x
in j._keys)
9752 return sum(f(jm)
for f
in funcs)
9753 return IMP._jax_util.JAXRestraintInfo(
9754 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9758 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9759 class RigidClosePairsFinder(ClosePairsFinder):
9760 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9764 def __init__(self, cpf=None):
9765 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9766 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9768 def do_get_inputs(self, m, pis):
9769 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9770 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9772 def get_close_pairs(self, *args):
9774 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9775 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9776 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9777 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9778 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9780 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9782 def get_version_info(self):
9783 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9784 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9785 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9788 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9789 return _IMP_core.RigidClosePairsFinder___str__(self)
9792 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9793 return _IMP_core.RigidClosePairsFinder___repr__(self)
9797 return _object_cast_to_RigidClosePairsFinder(o)
9800 def _get_as_binary(self):
9801 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9802 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9804 def _set_from_binary(self, p):
9805 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9806 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9808 def __getstate__(self):
9809 p = self._get_as_binary()
9810 if len(self.__dict__) > 1:
9811 d = self.__dict__.copy()
9816 def __setstate__(self, p):
9817 if not hasattr(self,
'this'):
9819 if isinstance(p, tuple):
9821 self.__dict__.update(d)
9822 return self._set_from_binary(p)
9826 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9828 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9831 __repr__ = _swig_repr
9833 def __init__(self, *args):
9835 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9836 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9838 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9840 def do_get_inputs(self, m, pis):
9841 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9842 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9844 def get_score_functor(self, *args):
9846 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9847 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9849 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9851 def get_version_info(self):
9852 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9853 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9854 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9858 return _object_cast_to__SphereDistancePairScore(o)
9861 def _get_as_binary(self):
9862 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9863 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9865 def _set_from_binary(self, p):
9866 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9867 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9869 def __getstate__(self):
9870 p = self._get_as_binary()
9871 if len(self.__dict__) > 1:
9872 d = self.__dict__.copy()
9877 def __setstate__(self, p):
9878 if not hasattr(self,
'this'):
9880 if isinstance(p, tuple):
9882 self.__dict__.update(d)
9883 return self._set_from_binary(p)
9886 def _get_jax(self, m, indexes):
9887 import jax.numpy
as jnp
9888 def jax_score(jm, uf):
9889 xyzs = jm[
'xyz'][indexes]
9890 rs = jm[
'r'][indexes]
9891 diff = xyzs[:,0] - xyzs[:,1]
9892 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9894 sfnc = self.get_score_functor()
9895 uf = sfnc.get_unary_function().get_derived_object()
9896 f = functools.partial(jax_score, uf=uf._get_jax())
9897 return self._wrap_jax(m, f)
9901 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9902 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9903 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9907 def __init__(self, *args):
9909 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9910 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9912 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9914 def do_get_inputs(self, m, pis):
9915 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9916 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9918 def get_score_functor(self, *args):
9920 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9921 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9923 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9926 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9927 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
9930 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9931 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
9933 def get_version_info(self):
9934 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9935 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9936 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9939 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9940 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
9943 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9944 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
9948 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
9951 def _get_as_binary(self):
9952 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
9953 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
9955 def _set_from_binary(self, p):
9956 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
9957 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
9959 def __getstate__(self):
9960 p = self._get_as_binary()
9961 if len(self.__dict__) > 1:
9962 d = self.__dict__.copy()
9967 def __setstate__(self, p):
9968 if not hasattr(self,
'this'):
9970 if isinstance(p, tuple):
9972 self.__dict__.update(d)
9973 return self._set_from_binary(p)
9976 def _get_jax(self, m, indexes):
9977 import jax.numpy
as jnp
9979 def jax_score(jm, d, k):
9980 xyzs = jm[
'xyz'][indexes]
9981 rs = jm[
'r'][indexes]
9982 diff = xyzs[:,0] - xyzs[:,1]
9983 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9984 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
9985 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
9986 return self._wrap_jax(m, f)
9990 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
9991 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
9992 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
9994 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9996 def __init__(self, d0, k):
9997 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
9998 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10000 def get_rest_length(self):
10001 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10002 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10004 def get_stiffness(self):
10005 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10006 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10008 def do_get_inputs(self, m, pis):
10009 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10010 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10012 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10013 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"""
10014 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10016 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10017 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"""
10018 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10020 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10021 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"""
10022 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10024 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10025 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"""
10026 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10028 def get_version_info(self):
10029 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10030 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10031 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10034 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10035 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10037 def __repr__(self):
10038 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10039 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10043 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10047 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10049 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10053 def __init__(self, *args):
10055 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10056 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10058 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10060 def do_get_inputs(self, m, pis):
10061 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10062 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10064 def get_score_functor(self, *args):
10066 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10067 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10069 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10072 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10073 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10076 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10077 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10079 def get_version_info(self):
10080 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10081 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10082 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10085 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10086 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10088 def __repr__(self):
10089 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10090 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10094 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10097 def _get_as_binary(self):
10098 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10099 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10101 def _set_from_binary(self, p):
10102 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10103 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10105 def __getstate__(self):
10106 p = self._get_as_binary()
10107 if len(self.__dict__) > 1:
10108 d = self.__dict__.copy()
10113 def __setstate__(self, p):
10114 if not hasattr(self,
'this'):
10116 if isinstance(p, tuple):
10118 self.__dict__.update(d)
10119 return self._set_from_binary(p)
10122 def _get_jax(self, m, indexes):
10123 import jax.numpy
as jnp
10124 def jax_score(jm, d, k):
10125 xyzs = jm[
'xyz'][indexes]
10126 rs = jm[
'r'][indexes]
10127 diff = xyzs[:,0] - xyzs[:,1]
10128 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10129 return 0.5 * k * (d - drs)**2
10130 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10131 return self._wrap_jax(m, f)
10135 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10137 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10141 def __init__(self, *args):
10142 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10143 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10145 def do_get_inputs(self, m, pis):
10146 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10147 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10149 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10150 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"""
10151 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10153 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10154 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"""
10155 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10157 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10158 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"""
10159 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10161 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10162 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"""
10163 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10165 def get_version_info(self):
10166 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10167 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10168 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10171 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10172 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10174 def __repr__(self):
10175 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10176 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10180 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10184 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10186 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10188 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10190 def __init__(self, *args):
10191 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10192 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10194 def do_get_inputs(self, m, pis):
10195 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10196 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10198 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10199 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"""
10200 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10202 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10203 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"""
10204 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10206 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10207 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"""
10208 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10210 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10211 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"""
10212 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10214 def get_version_info(self):
10215 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10216 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10217 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10220 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10221 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10223 def __repr__(self):
10224 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10225 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10229 return _object_cast_to_WeightedSphereDistancePairScore(o)
10233 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10235 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10237 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10239 def __init__(self, *args):
10241 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10242 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10244 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10246 def do_get_inputs(self, m, pis):
10247 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10248 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10250 def get_score_functor(self, *args):
10252 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10253 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10255 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10258 r"""get_k(SoftSpherePairScore self) -> double"""
10259 return _IMP_core.SoftSpherePairScore_get_k(self)
10261 def get_version_info(self):
10262 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10263 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10264 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10267 r"""__str__(SoftSpherePairScore self) -> std::string"""
10268 return _IMP_core.SoftSpherePairScore___str__(self)
10270 def __repr__(self):
10271 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10272 return _IMP_core.SoftSpherePairScore___repr__(self)
10276 return _object_cast_to_SoftSpherePairScore(o)
10279 def _get_as_binary(self):
10280 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10281 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10283 def _set_from_binary(self, p):
10284 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10285 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10287 def __getstate__(self):
10288 p = self._get_as_binary()
10289 if len(self.__dict__) > 1:
10290 d = self.__dict__.copy()
10295 def __setstate__(self, p):
10296 if not hasattr(self,
'this'):
10298 if isinstance(p, tuple):
10300 self.__dict__.update(d)
10301 return self._set_from_binary(p)
10304 def _get_jax(self, m, indexes):
10305 import jax.numpy
as jnp
10307 def jax_score(jm, k):
10308 xyzs = jm[
'xyz'][indexes]
10309 rs = jm[
'r'][indexes]
10310 diff = xyzs[:,0] - xyzs[:,1]
10311 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10312 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10313 f = functools.partial(jax_score, k=self.get_k())
10314 return self._wrap_jax(m, f)
10318 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10320 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10322 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10324 def __init__(self, *args):
10325 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10326 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10328 def do_get_inputs(self, m, pis):
10329 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10330 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10332 def get_version_info(self):
10333 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10334 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10335 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10338 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10339 return _IMP_core.SurfaceDistancePairScore___str__(self)
10341 def __repr__(self):
10342 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10343 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10347 return _object_cast_to_SurfaceDistancePairScore(o)
10351 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10353 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10357 def __init__(self, *args):
10358 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10359 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10361 def do_get_inputs(self, m, pis):
10362 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10363 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10365 def get_version_info(self):
10366 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10367 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10368 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10371 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10372 return _IMP_core.SurfaceHeightPairScore___str__(self)
10374 def __repr__(self):
10375 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10376 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10380 return _object_cast_to_SurfaceHeightPairScore(o)
10384 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10386 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10388 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10390 def __init__(self, *args):
10391 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10392 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10394 def do_get_inputs(self, m, pis):
10395 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10396 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10398 def get_version_info(self):
10399 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10400 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10401 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10404 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10405 return _IMP_core.SurfaceDepthPairScore___str__(self)
10407 def __repr__(self):
10408 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10409 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10413 return _object_cast_to_SurfaceDepthPairScore(o)
10417 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10419 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10423 def __init__(self, *args):
10424 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10425 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10427 def do_get_inputs(self, m, pis):
10428 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10429 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10431 def get_version_info(self):
10432 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10433 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10434 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10437 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10438 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10440 def __repr__(self):
10441 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10442 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10446 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10450 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10452 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10454 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10456 def __init__(self, *args):
10457 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10458 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10460 def do_get_inputs(self, m, pis):
10461 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10462 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10464 def get_version_info(self):
10465 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10466 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10467 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10470 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10471 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10473 def __repr__(self):
10474 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10475 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10479 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10483 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10485 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10489 def __init__(self, *args):
10490 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10491 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10493 def do_get_inputs(self, m, pis):
10494 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10495 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10497 def get_version_info(self):
10498 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10499 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10500 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10503 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10504 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10506 def __repr__(self):
10507 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10508 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10512 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10516 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10518 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10522 def __init__(self, *args):
10523 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10524 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10526 def do_get_inputs(self, m, pis):
10527 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10528 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10530 def get_version_info(self):
10531 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10532 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10533 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10536 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10537 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10539 def __repr__(self):
10540 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10541 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10545 return _object_cast_to_SoftSuperSurfacePairScore(o)
10549 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10551 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10553 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10555 def __init__(self, *args):
10556 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10557 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10559 def do_get_inputs(self, m, pis):
10560 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10561 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10563 def get_version_info(self):
10564 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10565 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10566 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10569 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10570 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10572 def __repr__(self):
10573 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10574 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10578 return _object_cast_to_SoftSubSurfacePairScore(o)
10582 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10584 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10586 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10588 def __init__(self, link_num, link_length):
10589 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10590 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10592 def get_version_info(self):
10593 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10594 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10595 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10597 def get_link_number(self):
10598 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10599 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10601 def get_link_length(self):
10602 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10603 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10605 def set_link_number(self, N):
10606 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10607 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10609 def set_link_length(self, b):
10610 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10611 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10613 def get_distance_at_minimum(self):
10614 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10615 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10617 def get_average_distance(self):
10618 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10619 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10622 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10623 return _IMP_core.SurfaceTetheredChain___str__(self)
10625 def __repr__(self):
10626 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10627 return _IMP_core.SurfaceTetheredChain___repr__(self)
10631 return _object_cast_to_SurfaceTetheredChain(o)
10635 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10637 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10639 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10641 def __init__(self, m, ss, rbs):
10642 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10643 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10645 def do_get_inputs(self):
10646 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10647 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10649 def do_get_outputs(self):
10650 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10651 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10653 def get_version_info(self):
10654 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10655 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10656 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10659 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10660 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10662 def __repr__(self):
10663 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10664 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10668 return _object_cast_to_SurfaceSymmetryConstraint(o)
10672 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10674 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10676 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10678 def __init__(self, *args):
10679 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10680 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10682 def do_optimize(self, max_steps):
10683 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10684 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10686 def get_version_info(self):
10687 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10688 return _IMP_core.SteepestDescent_get_version_info(self)
10689 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10691 def set_threshold(self, t):
10692 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10693 return _IMP_core.SteepestDescent_set_threshold(self, t)
10695 def set_step_size(self, t):
10696 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10697 return _IMP_core.SteepestDescent_set_step_size(self, t)
10699 def set_maximum_step_size(self, t):
10700 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10701 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10704 r"""__str__(SteepestDescent self) -> std::string"""
10705 return _IMP_core.SteepestDescent___str__(self)
10707 def __repr__(self):
10708 r"""__repr__(SteepestDescent self) -> std::string"""
10709 return _IMP_core.SteepestDescent___repr__(self)
10713 return _object_cast_to_SteepestDescent(o)
10717 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10719 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10723 def __init__(self, f, transformation):
10724 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10725 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10727 def set_transformation(self, rot):
10728 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10729 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10731 def do_get_inputs(self, m, pis):
10732 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10733 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10735 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10736 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"""
10737 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10739 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10740 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"""
10741 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10743 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10744 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"""
10745 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10747 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10748 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"""
10749 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10751 def get_version_info(self):
10752 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10753 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10754 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10757 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10758 return _IMP_core.TransformedDistancePairScore___str__(self)
10760 def __repr__(self):
10761 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10762 return _IMP_core.TransformedDistancePairScore___repr__(self)
10766 return _object_cast_to_TransformedDistancePairScore(o)
10770 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10772 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10774 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10776 def __init__(self, typekey, allow_invalid_types=True):
10777 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10778 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10780 def set_particle_type(self, arg2):
10781 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10782 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10784 def set_pair_score(self, ps, atype, btype):
10785 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10786 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10788 def do_get_inputs(self, m, pis):
10789 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10790 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10792 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10793 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"""
10794 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10796 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10797 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"""
10798 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10800 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10801 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"""
10802 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10804 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10805 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"""
10806 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10808 def get_version_info(self):
10809 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10810 return _IMP_core.TypedPairScore_get_version_info(self)
10811 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10814 r"""__str__(TypedPairScore self) -> std::string"""
10815 return _IMP_core.TypedPairScore___str__(self)
10817 def __repr__(self):
10818 r"""__repr__(TypedPairScore self) -> std::string"""
10819 return _IMP_core.TypedPairScore___repr__(self)
10823 return _object_cast_to_TypedPairScore(o)
10827 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10828 class RigidBodyDistancePairScore(KClosePairsPairScore):
10829 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10831 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10833 def __init__(self, ps, r):
10834 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10835 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10838 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10839 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10841 def __repr__(self):
10842 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10843 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10847 return _object_cast_to_RigidBodyDistancePairScore(o)
10849 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10852 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10854 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10856 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10858 def __init__(self, f):
10859 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10860 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10862 def do_get_inputs(self, m, pis):
10863 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10864 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10866 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10867 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"""
10868 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10870 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10871 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"""
10872 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10874 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10875 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"""
10876 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10878 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10879 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"""
10880 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10882 def get_version_info(self):
10883 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10884 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10885 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10888 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10889 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10891 def __repr__(self):
10892 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10893 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10897 return _object_cast_to_RigidBodyAnglePairScore(o)
10901 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10903 r"""Proxy of C++ IMP::core::TableRefiner class."""
10905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10907 def __init__(self):
10908 r"""__init__(TableRefiner self) -> TableRefiner"""
10909 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10912 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10913 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10915 def remove_particle(self, p):
10916 r"""remove_particle(TableRefiner self, Particle p)"""
10917 return _IMP_core.TableRefiner_remove_particle(self, p)
10919 def set_particle(self, p, ps):
10920 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10921 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10923 def do_get_inputs(self, m, pis):
10924 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10925 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10927 def get_version_info(self):
10928 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10929 return _IMP_core.TableRefiner_get_version_info(self)
10930 __swig_destroy__ = _IMP_core.delete_TableRefiner
10933 r"""__str__(TableRefiner self) -> std::string"""
10934 return _IMP_core.TableRefiner___str__(self)
10936 def __repr__(self):
10937 r"""__repr__(TableRefiner self) -> std::string"""
10938 return _IMP_core.TableRefiner___repr__(self)
10942 return _object_cast_to_TableRefiner(o)
10946 _IMP_core.TableRefiner_swigregister(TableRefiner)
10947 LOWER = _IMP_core.LOWER
10949 BOTH = _IMP_core.BOTH
10951 UPPER = _IMP_core.UPPER
10954 r"""Proxy of C++ IMP::core::MCCGSampler class."""
10956 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10958 def __init__(self, *args):
10959 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
10960 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
10962 def set_bounding_box(self, bb):
10963 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
10964 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
10966 def set_number_of_attempts(self, att):
10967 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
10968 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
10970 def set_number_of_monte_carlo_steps(self, cg):
10971 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
10972 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
10974 def set_number_of_conjugate_gradient_steps(self, cg):
10975 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
10976 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
10978 def set_max_monte_carlo_step_size(self, *args):
10980 set_max_monte_carlo_step_size(MCCGSampler self, double d)
10981 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
10983 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
10985 def set_is_refining(self, tf):
10986 r"""set_is_refining(MCCGSampler self, bool tf)"""
10987 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
10989 def set_local_optimizer(self, opt):
10990 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
10991 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
10993 def set_save_rejected_configurations(self, tf):
10994 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
10995 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
10997 def get_rejected_configurations(self):
10998 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
10999 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11000 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)
11001 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11002 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11003 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11005 def remove_optimizer_state(self, d):
11006 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11007 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11009 def _python_index_optimizer_state(self, d, start, stop):
11010 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11011 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11013 def remove_optimizer_states(self, d):
11014 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11015 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11017 def set_optimizer_states(self, ps):
11018 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11019 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11021 def set_optimizer_states_order(self, objs):
11022 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11023 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11025 def add_optimizer_state(self, obj):
11026 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11027 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11029 def add_optimizer_states(self, objs):
11030 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11031 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11033 def clear_optimizer_states(self):
11034 r"""clear_optimizer_states(MCCGSampler self)"""
11035 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11037 def get_number_of_optimizer_states(self):
11038 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11039 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11041 def get_has_optimizer_states(self):
11042 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11043 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11045 def get_optimizer_state(self, i):
11046 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11047 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11049 def get_optimizer_states(self):
11050 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11051 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11053 def erase_optimizer_state(self, i):
11054 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11055 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11057 def reserve_optimizer_states(self, sz):
11058 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11059 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11061 def do_sample(self):
11062 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11063 return _IMP_core.MCCGSampler_do_sample(self)
11065 def get_version_info(self):
11066 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11067 return _IMP_core.MCCGSampler_get_version_info(self)
11068 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11071 r"""__str__(MCCGSampler self) -> std::string"""
11072 return _IMP_core.MCCGSampler___str__(self)
11074 def __repr__(self):
11075 r"""__repr__(MCCGSampler self) -> std::string"""
11076 return _IMP_core.MCCGSampler___repr__(self)
11080 return _object_cast_to_MCCGSampler(o)
11084 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11086 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11090 def __init__(self, *args):
11091 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11092 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11094 def do_get_inputs(self):
11095 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11096 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11098 def get_version_info(self):
11099 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11100 return _IMP_core.MinimumRestraint_get_version_info(self)
11101 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11102 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)
11103 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11104 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11105 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11107 def remove_restraint(self, d):
11108 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11109 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11111 def _python_index_restraint(self, d, start, stop):
11112 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11113 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11115 def remove_restraints(self, d):
11116 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11117 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11119 def set_restraints(self, ps):
11120 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11121 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11123 def set_restraints_order(self, objs):
11124 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11125 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11128 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11129 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11132 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11133 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11135 def clear_restraints(self):
11136 r"""clear_restraints(MinimumRestraint self)"""
11137 return _IMP_core.MinimumRestraint_clear_restraints(self)
11139 def get_number_of_restraints(self):
11140 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11141 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11143 def get_has_restraints(self):
11144 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11145 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11147 def get_restraint(self, i):
11148 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11149 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11151 def get_restraints(self):
11152 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11153 return _IMP_core.MinimumRestraint_get_restraints(self)
11155 def erase_restraint(self, i):
11156 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11157 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11159 def reserve_restraints(self, sz):
11160 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11161 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11164 r"""__str__(MinimumRestraint self) -> std::string"""
11165 return _IMP_core.MinimumRestraint___str__(self)
11167 def __repr__(self):
11168 r"""__repr__(MinimumRestraint self) -> std::string"""
11169 return _IMP_core.MinimumRestraint___repr__(self)
11173 return _object_cast_to_MinimumRestraint(o)
11177 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11178 class Gaussian(RigidBody):
11179 r"""Proxy of C++ IMP::core::Gaussian class."""
11181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11183 def __init__(self, *args):
11185 __init__(Gaussian self) -> Gaussian
11186 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11187 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11189 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11191 def show(self, *args):
11192 r"""show(Gaussian self, _ostream out=std::cout)"""
11193 return _IMP_core.Gaussian_show(self, *args)
11196 def setup_particle(*args):
11198 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11199 setup_particle(_ParticleAdaptor pa) -> Gaussian
11200 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11201 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11203 return _IMP_core.Gaussian_setup_particle(*args)
11206 def get_local_covariance_key():
11207 r"""get_local_covariance_key() -> ObjectKey"""
11208 return _IMP_core.Gaussian_get_local_covariance_key()
11211 def get_global_covariance_key():
11212 r"""get_global_covariance_key() -> ObjectKey"""
11213 return _IMP_core.Gaussian_get_global_covariance_key()
11216 def get_is_setup(*args):
11218 get_is_setup(_ParticleAdaptor p) -> bool
11219 get_is_setup(Model m, ParticleIndex pi) -> bool
11221 return _IMP_core.Gaussian_get_is_setup(*args)
11223 def get_local_covariance(self):
11224 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11225 return _IMP_core.Gaussian_get_local_covariance(self)
11227 def get_variances(self):
11228 r"""get_variances(Gaussian self) -> Vector3D"""
11229 return _IMP_core.Gaussian_get_variances(self)
11231 def get_global_covariance(self):
11232 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11233 return _IMP_core.Gaussian_get_global_covariance(self)
11235 def get_gaussian(self):
11236 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11237 return _IMP_core.Gaussian_get_gaussian(self)
11239 def set_gaussian(self, g):
11240 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11241 return _IMP_core.Gaussian_set_gaussian(self, g)
11243 def set_local_covariance(self, covar):
11244 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11245 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11247 def set_variances(self, v):
11248 r"""set_variances(Gaussian self, Vector3D v)"""
11249 return _IMP_core.Gaussian_set_variances(self, v)
11251 def set_global_covariance(self, covar):
11252 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11253 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11255 def update_global_covariance(self):
11256 r"""update_global_covariance(Gaussian self)"""
11257 return _IMP_core.Gaussian_update_global_covariance(self)
11259 def add_attribute(self, *args):
11261 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11262 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11263 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11264 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11265 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11266 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11267 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11268 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11269 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11270 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11271 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11272 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11274 return _IMP_core.Gaussian_add_attribute(self, *args)
11276 def get_value(self, *args):
11278 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11279 get_value(Gaussian self, IntKey a0) -> IMP::Int
11280 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11281 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11282 get_value(Gaussian self, StringKey a0) -> IMP::String
11283 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11284 get_value(Gaussian self, ObjectKey a0) -> Object
11285 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11286 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11287 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11288 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11290 return _IMP_core.Gaussian_get_value(self, *args)
11292 def set_value(self, *args):
11294 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11295 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11296 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11297 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11298 set_value(Gaussian self, StringKey a0, IMP::String a1)
11299 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11300 set_value(Gaussian self, ObjectKey a0, Object a1)
11301 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11302 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11303 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11304 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11306 return _IMP_core.Gaussian_set_value(self, *args)
11308 def remove_attribute(self, *args):
11310 remove_attribute(Gaussian self, FloatKey a0)
11311 remove_attribute(Gaussian self, IntKey a0)
11312 remove_attribute(Gaussian self, FloatsKey a0)
11313 remove_attribute(Gaussian self, IntsKey a0)
11314 remove_attribute(Gaussian self, StringKey a0)
11315 remove_attribute(Gaussian self, ParticleIndexKey a0)
11316 remove_attribute(Gaussian self, ObjectKey a0)
11317 remove_attribute(Gaussian self, SparseFloatKey a0)
11318 remove_attribute(Gaussian self, SparseIntKey a0)
11319 remove_attribute(Gaussian self, SparseStringKey a0)
11320 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11322 return _IMP_core.Gaussian_remove_attribute(self, *args)
11324 def has_attribute(self, *args):
11326 has_attribute(Gaussian self, FloatKey a0) -> bool
11327 has_attribute(Gaussian self, IntKey a0) -> bool
11328 has_attribute(Gaussian self, FloatsKey a0) -> bool
11329 has_attribute(Gaussian self, IntsKey a0) -> bool
11330 has_attribute(Gaussian self, StringKey a0) -> bool
11331 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11332 has_attribute(Gaussian self, ObjectKey a0) -> bool
11333 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11334 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11335 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11336 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11338 return _IMP_core.Gaussian_has_attribute(self, *args)
11340 def get_derivative(self, a0):
11341 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11342 return _IMP_core.Gaussian_get_derivative(self, a0)
11344 def get_name(self):
11345 r"""get_name(Gaussian self) -> std::string"""
11346 return _IMP_core.Gaussian_get_name(self)
11348 def clear_caches(self):
11349 r"""clear_caches(Gaussian self)"""
11350 return _IMP_core.Gaussian_clear_caches(self)
11352 def set_name(self, a0):
11353 r"""set_name(Gaussian self, std::string a0)"""
11354 return _IMP_core.Gaussian_set_name(self, a0)
11357 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11358 return _IMP_core.Gaussian_set_check_level(self, a0)
11360 def add_to_derivative(self, a0, a1, a2):
11361 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11362 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11364 def set_is_optimized(self, a0, a1):
11365 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11366 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11368 def get_is_optimized(self, a0):
11369 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11370 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11373 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11374 return _IMP_core.Gaussian_get_check_level(self)
11376 def __eq__(self, *args):
11378 __eq__(Gaussian self, Gaussian o) -> bool
11379 __eq__(Gaussian self, Particle d) -> bool
11381 return _IMP_core.Gaussian___eq__(self, *args)
11383 def __ne__(self, *args):
11385 __ne__(Gaussian self, Gaussian o) -> bool
11386 __ne__(Gaussian self, Particle d) -> bool
11388 return _IMP_core.Gaussian___ne__(self, *args)
11390 def __le__(self, *args):
11392 __le__(Gaussian self, Gaussian o) -> bool
11393 __le__(Gaussian self, Particle d) -> bool
11395 return _IMP_core.Gaussian___le__(self, *args)
11397 def __lt__(self, *args):
11399 __lt__(Gaussian self, Gaussian o) -> bool
11400 __lt__(Gaussian self, Particle d) -> bool
11402 return _IMP_core.Gaussian___lt__(self, *args)
11404 def __ge__(self, *args):
11406 __ge__(Gaussian self, Gaussian o) -> bool
11407 __ge__(Gaussian self, Particle d) -> bool
11409 return _IMP_core.Gaussian___ge__(self, *args)
11411 def __gt__(self, *args):
11413 __gt__(Gaussian self, Gaussian o) -> bool
11414 __gt__(Gaussian self, Particle d) -> bool
11416 return _IMP_core.Gaussian___gt__(self, *args)
11418 def __hash__(self):
11419 r"""__hash__(Gaussian self) -> std::size_t"""
11420 return _IMP_core.Gaussian___hash__(self)
11423 r"""__str__(Gaussian self) -> std::string"""
11424 return _IMP_core.Gaussian___str__(self)
11426 def __repr__(self):
11427 r"""__repr__(Gaussian self) -> std::string"""
11428 return _IMP_core.Gaussian___repr__(self)
11430 def _get_as_binary(self):
11431 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11432 return _IMP_core.Gaussian__get_as_binary(self)
11434 def _set_from_binary(self, p):
11435 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11436 return _IMP_core.Gaussian__set_from_binary(self, p)
11438 def __getstate__(self):
11439 p = self._get_as_binary()
11440 if len(self.__dict__) > 1:
11441 d = self.__dict__.copy()
11446 def __setstate__(self, p):
11447 if not hasattr(self,
'this'):
11449 if isinstance(p, tuple):
11451 self.__dict__.update(d)
11452 return self._set_from_binary(p)
11454 __swig_destroy__ = _IMP_core.delete_Gaussian
11457 _IMP_core.Gaussian_swigregister(Gaussian)
11459 r"""Proxy of C++ IMP::core::PairRestraint class."""
11461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11463 def __init__(self, *args):
11465 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11466 __init__(PairRestraint self) -> PairRestraint
11468 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11470 def get_score_object(self):
11471 r"""get_score_object(PairRestraint self) -> PairScore"""
11472 return _IMP_core.PairRestraint_get_score_object(self)
11475 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11476 return _IMP_core.PairRestraint_get_index(self)
11478 def get_version_info(self):
11479 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11480 return _IMP_core.PairRestraint_get_version_info(self)
11481 __swig_destroy__ = _IMP_core.delete_PairRestraint
11484 r"""__str__(PairRestraint self) -> std::string"""
11485 return _IMP_core.PairRestraint___str__(self)
11487 def __repr__(self):
11488 r"""__repr__(PairRestraint self) -> std::string"""
11489 return _IMP_core.PairRestraint___repr__(self)
11493 return _object_cast_to_PairRestraint(o)
11496 def _get_as_binary(self):
11497 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11498 return _IMP_core.PairRestraint__get_as_binary(self)
11500 def _set_from_binary(self, p):
11501 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11502 return _IMP_core.PairRestraint__set_from_binary(self, p)
11504 def __getstate__(self):
11505 p = self._get_as_binary()
11506 if len(self.__dict__) > 1:
11507 d = self.__dict__.copy()
11512 def __setstate__(self, p):
11513 if not hasattr(self,
'this'):
11515 if isinstance(p, tuple):
11517 self.__dict__.update(d)
11518 return self._set_from_binary(p)
11521 def _get_jax(self):
11522 from .
import _jax_util
11523 return _jax_util._get_jax_restraint(self)
11527 _IMP_core.PairRestraint_swigregister(PairRestraint)
11529 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11533 def __init__(self, *args):
11535 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11536 __init__(SingletonRestraint self) -> SingletonRestraint
11538 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11540 def get_score_object(self):
11541 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11542 return _IMP_core.SingletonRestraint_get_score_object(self)
11545 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11546 return _IMP_core.SingletonRestraint_get_index(self)
11548 def get_version_info(self):
11549 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11550 return _IMP_core.SingletonRestraint_get_version_info(self)
11551 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11554 r"""__str__(SingletonRestraint self) -> std::string"""
11555 return _IMP_core.SingletonRestraint___str__(self)
11557 def __repr__(self):
11558 r"""__repr__(SingletonRestraint self) -> std::string"""
11559 return _IMP_core.SingletonRestraint___repr__(self)
11563 return _object_cast_to_SingletonRestraint(o)
11566 def _get_as_binary(self):
11567 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11568 return _IMP_core.SingletonRestraint__get_as_binary(self)
11570 def _set_from_binary(self, p):
11571 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11572 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11574 def __getstate__(self):
11575 p = self._get_as_binary()
11576 if len(self.__dict__) > 1:
11577 d = self.__dict__.copy()
11582 def __setstate__(self, p):
11583 if not hasattr(self,
'this'):
11585 if isinstance(p, tuple):
11587 self.__dict__.update(d)
11588 return self._set_from_binary(p)
11591 def _get_jax(self):
11592 from .
import _jax_util
11593 return _jax_util._get_jax_restraint(self)
11597 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11599 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11603 def __init__(self, *args):
11605 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11606 __init__(TripletRestraint self) -> TripletRestraint
11608 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11610 def get_score_object(self):
11611 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11612 return _IMP_core.TripletRestraint_get_score_object(self)
11615 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11616 return _IMP_core.TripletRestraint_get_index(self)
11618 def get_version_info(self):
11619 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11620 return _IMP_core.TripletRestraint_get_version_info(self)
11621 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11624 r"""__str__(TripletRestraint self) -> std::string"""
11625 return _IMP_core.TripletRestraint___str__(self)
11627 def __repr__(self):
11628 r"""__repr__(TripletRestraint self) -> std::string"""
11629 return _IMP_core.TripletRestraint___repr__(self)
11633 return _object_cast_to_TripletRestraint(o)
11636 def _get_as_binary(self):
11637 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11638 return _IMP_core.TripletRestraint__get_as_binary(self)
11640 def _set_from_binary(self, p):
11641 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11642 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11644 def __getstate__(self):
11645 p = self._get_as_binary()
11646 if len(self.__dict__) > 1:
11647 d = self.__dict__.copy()
11652 def __setstate__(self, p):
11653 if not hasattr(self,
'this'):
11655 if isinstance(p, tuple):
11657 self.__dict__.update(d)
11658 return self._set_from_binary(p)
11662 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11664 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11668 def __init__(self, *args):
11670 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11671 __init__(QuadRestraint self) -> QuadRestraint
11673 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11675 def get_score_object(self):
11676 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11677 return _IMP_core.QuadRestraint_get_score_object(self)
11680 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11681 return _IMP_core.QuadRestraint_get_index(self)
11683 def get_version_info(self):
11684 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11685 return _IMP_core.QuadRestraint_get_version_info(self)
11686 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11689 r"""__str__(QuadRestraint self) -> std::string"""
11690 return _IMP_core.QuadRestraint___str__(self)
11692 def __repr__(self):
11693 r"""__repr__(QuadRestraint self) -> std::string"""
11694 return _IMP_core.QuadRestraint___repr__(self)
11698 return _object_cast_to_QuadRestraint(o)
11701 def _get_as_binary(self):
11702 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11703 return _IMP_core.QuadRestraint__get_as_binary(self)
11705 def _set_from_binary(self, p):
11706 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11707 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11709 def __getstate__(self):
11710 p = self._get_as_binary()
11711 if len(self.__dict__) > 1:
11712 d = self.__dict__.copy()
11717 def __setstate__(self, p):
11718 if not hasattr(self,
'this'):
11720 if isinstance(p, tuple):
11722 self.__dict__.update(d)
11723 return self._set_from_binary(p)
11727 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11729 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11733 def __init__(self, *args):
11735 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11736 __init__(SingletonConstraint self) -> SingletonConstraint
11738 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11740 def get_before_modifier(self):
11741 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11742 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11745 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11746 return _IMP_core.SingletonConstraint_get_index(self)
11748 def get_version_info(self):
11749 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11750 return _IMP_core.SingletonConstraint_get_version_info(self)
11751 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11754 r"""__str__(SingletonConstraint self) -> std::string"""
11755 return _IMP_core.SingletonConstraint___str__(self)
11757 def __repr__(self):
11758 r"""__repr__(SingletonConstraint self) -> std::string"""
11759 return _IMP_core.SingletonConstraint___repr__(self)
11763 return _object_cast_to_SingletonConstraint(o)
11766 def _get_as_binary(self):
11767 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11768 return _IMP_core.SingletonConstraint__get_as_binary(self)
11770 def _set_from_binary(self, p):
11771 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11772 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11774 def __getstate__(self):
11775 p = self._get_as_binary()
11776 if len(self.__dict__) > 1:
11777 d = self.__dict__.copy()
11782 def __setstate__(self, p):
11783 if not hasattr(self,
'this'):
11785 if isinstance(p, tuple):
11787 self.__dict__.update(d)
11788 return self._set_from_binary(p)
11791 def _get_jax(self):
11792 import jax.numpy
as jnp
11793 indexes = jnp.array([self.get_index()])
11794 mod = self.get_before_modifier().get_derived_object()
11795 ji = mod._get_jax(self.get_model(), indexes)
11796 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11800 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11802 r"""Proxy of C++ IMP::core::PairConstraint class."""
11804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11806 def __init__(self, *args):
11808 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11809 __init__(PairConstraint self) -> PairConstraint
11811 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11813 def get_before_modifier(self):
11814 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11815 return _IMP_core.PairConstraint_get_before_modifier(self)
11818 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11819 return _IMP_core.PairConstraint_get_index(self)
11821 def get_version_info(self):
11822 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11823 return _IMP_core.PairConstraint_get_version_info(self)
11824 __swig_destroy__ = _IMP_core.delete_PairConstraint
11827 r"""__str__(PairConstraint self) -> std::string"""
11828 return _IMP_core.PairConstraint___str__(self)
11830 def __repr__(self):
11831 r"""__repr__(PairConstraint self) -> std::string"""
11832 return _IMP_core.PairConstraint___repr__(self)
11836 return _object_cast_to_PairConstraint(o)
11839 def _get_as_binary(self):
11840 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11841 return _IMP_core.PairConstraint__get_as_binary(self)
11843 def _set_from_binary(self, p):
11844 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11845 return _IMP_core.PairConstraint__set_from_binary(self, p)
11847 def __getstate__(self):
11848 p = self._get_as_binary()
11849 if len(self.__dict__) > 1:
11850 d = self.__dict__.copy()
11855 def __setstate__(self, p):
11856 if not hasattr(self,
'this'):
11858 if isinstance(p, tuple):
11860 self.__dict__.update(d)
11861 return self._set_from_binary(p)
11865 _IMP_core.PairConstraint_swigregister(PairConstraint)
11867 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11869 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11871 def __init__(self, *args):
11873 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11874 __init__(TripletConstraint self) -> TripletConstraint
11876 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11878 def get_before_modifier(self):
11879 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11880 return _IMP_core.TripletConstraint_get_before_modifier(self)
11883 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11884 return _IMP_core.TripletConstraint_get_index(self)
11886 def get_version_info(self):
11887 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11888 return _IMP_core.TripletConstraint_get_version_info(self)
11889 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11892 r"""__str__(TripletConstraint self) -> std::string"""
11893 return _IMP_core.TripletConstraint___str__(self)
11895 def __repr__(self):
11896 r"""__repr__(TripletConstraint self) -> std::string"""
11897 return _IMP_core.TripletConstraint___repr__(self)
11901 return _object_cast_to_TripletConstraint(o)
11904 def _get_as_binary(self):
11905 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11906 return _IMP_core.TripletConstraint__get_as_binary(self)
11908 def _set_from_binary(self, p):
11909 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11910 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11912 def __getstate__(self):
11913 p = self._get_as_binary()
11914 if len(self.__dict__) > 1:
11915 d = self.__dict__.copy()
11920 def __setstate__(self, p):
11921 if not hasattr(self,
'this'):
11923 if isinstance(p, tuple):
11925 self.__dict__.update(d)
11926 return self._set_from_binary(p)
11930 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11932 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11936 def __init__(self, *args):
11938 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11939 __init__(QuadConstraint self) -> QuadConstraint
11941 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
11943 def get_before_modifier(self):
11944 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
11945 return _IMP_core.QuadConstraint_get_before_modifier(self)
11948 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
11949 return _IMP_core.QuadConstraint_get_index(self)
11951 def get_version_info(self):
11952 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
11953 return _IMP_core.QuadConstraint_get_version_info(self)
11954 __swig_destroy__ = _IMP_core.delete_QuadConstraint
11957 r"""__str__(QuadConstraint self) -> std::string"""
11958 return _IMP_core.QuadConstraint___str__(self)
11960 def __repr__(self):
11961 r"""__repr__(QuadConstraint self) -> std::string"""
11962 return _IMP_core.QuadConstraint___repr__(self)
11966 return _object_cast_to_QuadConstraint(o)
11969 def _get_as_binary(self):
11970 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
11971 return _IMP_core.QuadConstraint__get_as_binary(self)
11973 def _set_from_binary(self, p):
11974 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
11975 return _IMP_core.QuadConstraint__set_from_binary(self, p)
11977 def __getstate__(self):
11978 p = self._get_as_binary()
11979 if len(self.__dict__) > 1:
11980 d = self.__dict__.copy()
11985 def __setstate__(self, p):
11986 if not hasattr(self,
'this'):
11988 if isinstance(p, tuple):
11990 self.__dict__.update(d)
11991 return self._set_from_binary(p)
11995 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
11997 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
11999 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12001 def __init__(self, *args):
12003 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12004 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12006 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12008 def do_get_inputs(self, arg2, arg3):
12009 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12010 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12012 def get_value(self, *args):
12014 get_value(ConstantSingletonPredicate self, Particle a) -> int
12015 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12017 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12019 def get_value_index(self, *args):
12021 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12022 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12024 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12026 def get_version_info(self):
12027 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12028 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12029 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12032 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12033 return _IMP_core.ConstantSingletonPredicate___str__(self)
12035 def __repr__(self):
12036 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12037 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12041 return _object_cast_to_ConstantSingletonPredicate(o)
12044 def _get_as_binary(self):
12045 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12046 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12048 def _set_from_binary(self, p):
12049 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12050 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12052 def __getstate__(self):
12053 p = self._get_as_binary()
12054 if len(self.__dict__) > 1:
12055 d = self.__dict__.copy()
12060 def __setstate__(self, p):
12061 if not hasattr(self,
'this'):
12063 if isinstance(p, tuple):
12065 self.__dict__.update(d)
12066 return self._set_from_binary(p)
12070 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12072 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12074 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12076 def __init__(self, *args):
12077 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12078 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12080 def do_get_inputs(self, m, pis):
12081 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12082 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12084 def get_value(self, *args):
12086 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12087 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12089 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12091 def get_value_index(self, *args):
12093 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12094 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12096 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12098 def get_version_info(self):
12099 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12100 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12101 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12104 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12105 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12107 def __repr__(self):
12108 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12109 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12113 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12116 def _get_as_binary(self):
12117 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12118 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12120 def _set_from_binary(self, p):
12121 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12122 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12124 def __getstate__(self):
12125 p = self._get_as_binary()
12126 if len(self.__dict__) > 1:
12127 d = self.__dict__.copy()
12132 def __setstate__(self, p):
12133 if not hasattr(self,
'this'):
12135 if isinstance(p, tuple):
12137 self.__dict__.update(d)
12138 return self._set_from_binary(p)
12142 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12144 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12146 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12148 def __init__(self, *args):
12149 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12150 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12152 def do_get_inputs(self, m, pis):
12153 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12154 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12156 def get_value(self, *args):
12158 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12159 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12160 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12162 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12164 def get_value_index(self, *args):
12166 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12167 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12169 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12171 def get_version_info(self):
12172 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12173 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12174 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12177 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12178 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12180 def __repr__(self):
12181 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12182 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12186 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12190 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12192 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12194 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12196 def __init__(self, *args):
12197 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12198 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12200 def do_get_inputs(self, arg2, arg3):
12201 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12202 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12204 def get_value(self, *args):
12206 get_value(AllSameSingletonPredicate self, Particle a) -> int
12207 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12209 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12211 def get_value_index(self, *args):
12213 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12214 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12216 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12218 def get_version_info(self):
12219 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12220 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12221 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12224 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12225 return _IMP_core.AllSameSingletonPredicate___str__(self)
12227 def __repr__(self):
12228 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12229 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12233 return _object_cast_to_AllSameSingletonPredicate(o)
12236 def _get_as_binary(self):
12237 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12238 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12240 def _set_from_binary(self, p):
12241 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12242 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12244 def __getstate__(self):
12245 p = self._get_as_binary()
12246 if len(self.__dict__) > 1:
12247 d = self.__dict__.copy()
12252 def __setstate__(self, p):
12253 if not hasattr(self,
'this'):
12255 if isinstance(p, tuple):
12257 self.__dict__.update(d)
12258 return self._set_from_binary(p)
12262 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12264 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12268 def __init__(self, *args):
12269 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12270 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12272 def do_get_inputs(self, arg2, arg3):
12273 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12274 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12276 def get_value(self, *args):
12278 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12279 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12281 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12283 def get_value_index(self, *args):
12285 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12286 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12288 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12290 def get_version_info(self):
12291 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12292 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12293 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12296 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12297 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12299 def __repr__(self):
12300 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12301 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12305 return _object_cast_to_CoinFlipSingletonPredicate(o)
12309 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12311 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12313 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12315 def __init__(self, *args):
12317 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12318 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12320 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12322 def do_get_inputs(self, arg2, arg3):
12323 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12324 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12326 def get_value(self, *args):
12328 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12329 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12331 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12333 def get_value_index(self, *args):
12335 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12336 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12338 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12340 def get_version_info(self):
12341 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12342 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12343 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12346 r"""__str__(ConstantPairPredicate self) -> std::string"""
12347 return _IMP_core.ConstantPairPredicate___str__(self)
12349 def __repr__(self):
12350 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12351 return _IMP_core.ConstantPairPredicate___repr__(self)
12355 return _object_cast_to_ConstantPairPredicate(o)
12358 def _get_as_binary(self):
12359 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12360 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12362 def _set_from_binary(self, p):
12363 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12364 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12366 def __getstate__(self):
12367 p = self._get_as_binary()
12368 if len(self.__dict__) > 1:
12369 d = self.__dict__.copy()
12374 def __setstate__(self, p):
12375 if not hasattr(self,
'this'):
12377 if isinstance(p, tuple):
12379 self.__dict__.update(d)
12380 return self._set_from_binary(p)
12384 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12386 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12388 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12390 def __init__(self, *args):
12391 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12392 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12394 def do_get_inputs(self, m, pis):
12395 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12396 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12398 def get_value(self, *args):
12400 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12401 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12403 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12405 def get_value_index(self, *args):
12407 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12408 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12410 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12412 def get_version_info(self):
12413 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12414 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12415 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12418 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12419 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12421 def __repr__(self):
12422 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12423 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12427 return _object_cast_to_UnorderedTypePairPredicate(o)
12430 def _get_as_binary(self):
12431 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12432 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12434 def _set_from_binary(self, p):
12435 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12436 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12438 def __getstate__(self):
12439 p = self._get_as_binary()
12440 if len(self.__dict__) > 1:
12441 d = self.__dict__.copy()
12446 def __setstate__(self, p):
12447 if not hasattr(self,
'this'):
12449 if isinstance(p, tuple):
12451 self.__dict__.update(d)
12452 return self._set_from_binary(p)
12456 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12458 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12460 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12462 def __init__(self, *args):
12463 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12464 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12466 def do_get_inputs(self, m, pis):
12467 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12468 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12470 def get_value(self, *args):
12472 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12473 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12474 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12476 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12478 def get_value_index(self, *args):
12480 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12481 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12483 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12485 def get_version_info(self):
12486 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12487 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12488 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12491 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12492 return _IMP_core.OrderedTypePairPredicate___str__(self)
12494 def __repr__(self):
12495 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12496 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12500 return _object_cast_to_OrderedTypePairPredicate(o)
12504 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12506 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12510 def __init__(self, *args):
12511 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12512 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12514 def do_get_inputs(self, arg2, arg3):
12515 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12516 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12518 def get_value(self, *args):
12520 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12521 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12523 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12525 def get_value_index(self, *args):
12527 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12528 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12530 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12532 def get_version_info(self):
12533 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12534 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12535 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12538 r"""__str__(AllSamePairPredicate self) -> std::string"""
12539 return _IMP_core.AllSamePairPredicate___str__(self)
12541 def __repr__(self):
12542 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12543 return _IMP_core.AllSamePairPredicate___repr__(self)
12547 return _object_cast_to_AllSamePairPredicate(o)
12550 def _get_as_binary(self):
12551 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12552 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12554 def _set_from_binary(self, p):
12555 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12556 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12558 def __getstate__(self):
12559 p = self._get_as_binary()
12560 if len(self.__dict__) > 1:
12561 d = self.__dict__.copy()
12566 def __setstate__(self, p):
12567 if not hasattr(self,
'this'):
12569 if isinstance(p, tuple):
12571 self.__dict__.update(d)
12572 return self._set_from_binary(p)
12576 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12578 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12580 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12582 def __init__(self, *args):
12583 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12584 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12586 def do_get_inputs(self, arg2, arg3):
12587 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12588 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12590 def get_value(self, *args):
12592 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12593 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12595 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12597 def get_value_index(self, *args):
12599 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12600 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12602 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12604 def get_version_info(self):
12605 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12606 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12607 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12610 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12611 return _IMP_core.CoinFlipPairPredicate___str__(self)
12613 def __repr__(self):
12614 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12615 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12619 return _object_cast_to_CoinFlipPairPredicate(o)
12623 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12625 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12629 def __init__(self, *args):
12631 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12632 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12634 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12636 def do_get_inputs(self, arg2, arg3):
12637 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12638 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12640 def get_value(self, *args):
12642 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12643 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12645 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12647 def get_value_index(self, *args):
12649 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12650 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12652 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12654 def get_version_info(self):
12655 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12656 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12657 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12660 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12661 return _IMP_core.ConstantTripletPredicate___str__(self)
12663 def __repr__(self):
12664 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12665 return _IMP_core.ConstantTripletPredicate___repr__(self)
12669 return _object_cast_to_ConstantTripletPredicate(o)
12672 def _get_as_binary(self):
12673 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12674 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12676 def _set_from_binary(self, p):
12677 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12678 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12680 def __getstate__(self):
12681 p = self._get_as_binary()
12682 if len(self.__dict__) > 1:
12683 d = self.__dict__.copy()
12688 def __setstate__(self, p):
12689 if not hasattr(self,
'this'):
12691 if isinstance(p, tuple):
12693 self.__dict__.update(d)
12694 return self._set_from_binary(p)
12698 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12700 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12704 def __init__(self, *args):
12705 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12706 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12708 def do_get_inputs(self, m, pis):
12709 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12710 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12712 def get_value(self, *args):
12714 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12715 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12717 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12719 def get_value_index(self, *args):
12721 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12722 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12724 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12726 def get_version_info(self):
12727 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12728 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12729 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12732 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12733 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12735 def __repr__(self):
12736 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12737 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12741 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12744 def _get_as_binary(self):
12745 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12746 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12748 def _set_from_binary(self, p):
12749 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12750 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12752 def __getstate__(self):
12753 p = self._get_as_binary()
12754 if len(self.__dict__) > 1:
12755 d = self.__dict__.copy()
12760 def __setstate__(self, p):
12761 if not hasattr(self,
'this'):
12763 if isinstance(p, tuple):
12765 self.__dict__.update(d)
12766 return self._set_from_binary(p)
12770 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12772 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12774 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12776 def __init__(self, *args):
12777 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12778 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12780 def do_get_inputs(self, m, pis):
12781 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12782 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12784 def get_value(self, *args):
12786 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12787 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12788 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12790 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12792 def get_value_index(self, *args):
12794 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12795 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12797 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12799 def get_version_info(self):
12800 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12801 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12802 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12805 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12806 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12808 def __repr__(self):
12809 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12810 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12814 return _object_cast_to_OrderedTypeTripletPredicate(o)
12818 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12820 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12822 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12824 def __init__(self, *args):
12825 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12826 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12828 def do_get_inputs(self, arg2, arg3):
12829 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12830 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12832 def get_value(self, *args):
12834 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12835 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12837 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12839 def get_value_index(self, *args):
12841 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12842 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12844 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12846 def get_version_info(self):
12847 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12848 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12849 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12852 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12853 return _IMP_core.AllSameTripletPredicate___str__(self)
12855 def __repr__(self):
12856 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12857 return _IMP_core.AllSameTripletPredicate___repr__(self)
12861 return _object_cast_to_AllSameTripletPredicate(o)
12864 def _get_as_binary(self):
12865 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12866 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12868 def _set_from_binary(self, p):
12869 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12870 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12872 def __getstate__(self):
12873 p = self._get_as_binary()
12874 if len(self.__dict__) > 1:
12875 d = self.__dict__.copy()
12880 def __setstate__(self, p):
12881 if not hasattr(self,
'this'):
12883 if isinstance(p, tuple):
12885 self.__dict__.update(d)
12886 return self._set_from_binary(p)
12890 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12892 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12894 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12896 def __init__(self, *args):
12897 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12898 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12900 def do_get_inputs(self, arg2, arg3):
12901 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12902 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12904 def get_value(self, *args):
12906 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12907 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12909 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12911 def get_value_index(self, *args):
12913 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12914 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12916 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12918 def get_version_info(self):
12919 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12920 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12921 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12924 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12925 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12927 def __repr__(self):
12928 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12929 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12933 return _object_cast_to_CoinFlipTripletPredicate(o)
12937 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12939 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
12941 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12943 def __init__(self, *args):
12945 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
12946 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
12948 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
12950 def do_get_inputs(self, arg2, arg3):
12951 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12952 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
12954 def get_value(self, *args):
12956 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
12957 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12959 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
12961 def get_value_index(self, *args):
12963 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12964 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12966 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
12968 def get_version_info(self):
12969 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
12970 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
12971 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
12974 r"""__str__(ConstantQuadPredicate self) -> std::string"""
12975 return _IMP_core.ConstantQuadPredicate___str__(self)
12977 def __repr__(self):
12978 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
12979 return _IMP_core.ConstantQuadPredicate___repr__(self)
12983 return _object_cast_to_ConstantQuadPredicate(o)
12986 def _get_as_binary(self):
12987 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
12988 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
12990 def _set_from_binary(self, p):
12991 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
12992 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
12994 def __getstate__(self):
12995 p = self._get_as_binary()
12996 if len(self.__dict__) > 1:
12997 d = self.__dict__.copy()
13002 def __setstate__(self, p):
13003 if not hasattr(self,
'this'):
13005 if isinstance(p, tuple):
13007 self.__dict__.update(d)
13008 return self._set_from_binary(p)
13012 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13014 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13018 def __init__(self, *args):
13019 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13020 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13022 def do_get_inputs(self, m, pis):
13023 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13024 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13026 def get_value(self, *args):
13028 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13029 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13031 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13033 def get_value_index(self, *args):
13035 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13036 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13038 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13040 def get_version_info(self):
13041 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13042 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13043 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13046 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13047 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13049 def __repr__(self):
13050 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13051 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13055 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13058 def _get_as_binary(self):
13059 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13060 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13062 def _set_from_binary(self, p):
13063 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13064 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13066 def __getstate__(self):
13067 p = self._get_as_binary()
13068 if len(self.__dict__) > 1:
13069 d = self.__dict__.copy()
13074 def __setstate__(self, p):
13075 if not hasattr(self,
'this'):
13077 if isinstance(p, tuple):
13079 self.__dict__.update(d)
13080 return self._set_from_binary(p)
13084 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13086 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13090 def __init__(self, *args):
13091 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13092 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13094 def do_get_inputs(self, m, pis):
13095 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13096 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13098 def get_value(self, *args):
13100 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13101 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13102 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13104 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13106 def get_value_index(self, *args):
13108 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13109 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13111 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13113 def get_version_info(self):
13114 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13115 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13116 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13119 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13120 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13122 def __repr__(self):
13123 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13124 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13128 return _object_cast_to_OrderedTypeQuadPredicate(o)
13132 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13134 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13136 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13138 def __init__(self, *args):
13139 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13140 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13142 def do_get_inputs(self, arg2, arg3):
13143 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13144 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13146 def get_value(self, *args):
13148 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13149 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13151 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13153 def get_value_index(self, *args):
13155 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13156 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13158 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13160 def get_version_info(self):
13161 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13162 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13163 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13166 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13167 return _IMP_core.AllSameQuadPredicate___str__(self)
13169 def __repr__(self):
13170 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13171 return _IMP_core.AllSameQuadPredicate___repr__(self)
13175 return _object_cast_to_AllSameQuadPredicate(o)
13178 def _get_as_binary(self):
13179 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13180 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13182 def _set_from_binary(self, p):
13183 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13184 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13186 def __getstate__(self):
13187 p = self._get_as_binary()
13188 if len(self.__dict__) > 1:
13189 d = self.__dict__.copy()
13194 def __setstate__(self, p):
13195 if not hasattr(self,
'this'):
13197 if isinstance(p, tuple):
13199 self.__dict__.update(d)
13200 return self._set_from_binary(p)
13204 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13206 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13208 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13210 def __init__(self, *args):
13211 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13212 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13214 def do_get_inputs(self, arg2, arg3):
13215 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13216 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13218 def get_value(self, *args):
13220 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13221 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13223 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13225 def get_value_index(self, *args):
13227 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13228 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13230 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13232 def get_version_info(self):
13233 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13234 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13235 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13238 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13239 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13241 def __repr__(self):
13242 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13243 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13247 return _object_cast_to_CoinFlipQuadPredicate(o)
13251 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13253 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13257 def __init__(self, *args):
13258 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13259 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13261 def do_get_inputs(self, m, pi):
13262 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13263 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13265 def get_value(self, *args):
13267 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13268 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13270 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13272 def get_value_index(self, *args):
13274 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13275 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13277 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13279 def get_version_info(self):
13280 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13281 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13282 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13285 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13286 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13288 def __repr__(self):
13289 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13290 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13294 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13298 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13300 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13304 def __init__(self, *args):
13305 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13306 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13308 def do_get_inputs(self, m, pi):
13309 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13310 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13312 def get_value(self, *args):
13314 get_value(AttributeSingletonPredicate self, Particle a) -> int
13315 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13317 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13319 def get_value_index(self, *args):
13321 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13322 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13324 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13326 def get_version_info(self):
13327 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13328 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13329 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13332 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13333 return _IMP_core.AttributeSingletonPredicate___str__(self)
13335 def __repr__(self):
13336 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13337 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13341 return _object_cast_to_AttributeSingletonPredicate(o)
13345 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13347 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13349 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13351 def __init__(self, *args):
13352 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13353 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13355 def do_get_inputs(self, m, pi):
13356 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13357 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13359 def get_value(self, *args):
13361 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13362 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13364 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13366 def get_value_index(self, *args):
13368 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13369 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13371 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13373 def get_version_info(self):
13374 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13375 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13376 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13379 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13380 return _IMP_core.IsCollisionPairPredicate___str__(self)
13382 def __repr__(self):
13383 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13384 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13388 return _object_cast_to_IsCollisionPairPredicate(o)
13392 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13393 class AngleRestraint(TripletRestraint):
13394 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13398 def __init__(self, *args):
13400 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13401 __init__(AngleRestraint self) -> AngleRestraint
13403 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13404 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13407 r"""__str__(AngleRestraint self) -> std::string"""
13408 return _IMP_core.AngleRestraint___str__(self)
13410 def __repr__(self):
13411 r"""__repr__(AngleRestraint self) -> std::string"""
13412 return _IMP_core.AngleRestraint___repr__(self)
13416 return _object_cast_to_AngleRestraint(o)
13419 def _get_as_binary(self):
13420 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13421 return _IMP_core.AngleRestraint__get_as_binary(self)
13423 def _set_from_binary(self, p):
13424 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13425 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13427 def __getstate__(self):
13428 p = self._get_as_binary()
13429 if len(self.__dict__) > 1:
13430 d = self.__dict__.copy()
13435 def __setstate__(self, p):
13436 if not hasattr(self,
'this'):
13438 if isinstance(p, tuple):
13440 self.__dict__.update(d)
13441 return self._set_from_binary(p)
13445 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13446 class RigidBodyMover(MonteCarloMover):
13447 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13451 def __init__(self, *args):
13453 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13454 __init__(RigidBodyMover self) -> RigidBodyMover
13456 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13458 def set_maximum_translation(self, mt):
13459 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13460 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13462 def set_maximum_rotation(self, mr):
13463 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13464 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13466 def get_maximum_translation(self):
13467 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13468 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13470 def get_maximum_rotation(self):
13471 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13472 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13475 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13476 return _IMP_core.RigidBodyMover_get_index(self)
13478 def get_version_info(self):
13479 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13480 return _IMP_core.RigidBodyMover_get_version_info(self)
13481 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13484 r"""__str__(RigidBodyMover self) -> std::string"""
13485 return _IMP_core.RigidBodyMover___str__(self)
13487 def __repr__(self):
13488 r"""__repr__(RigidBodyMover self) -> std::string"""
13489 return _IMP_core.RigidBodyMover___repr__(self)
13493 return _object_cast_to_RigidBodyMover(o)
13496 def _get_as_binary(self):
13497 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13498 return _IMP_core.RigidBodyMover__get_as_binary(self)
13500 def _set_from_binary(self, p):
13501 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13502 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13504 def __getstate__(self):
13505 p = self._get_as_binary()
13506 if len(self.__dict__) > 1:
13507 d = self.__dict__.copy()
13512 def __setstate__(self, p):
13513 if not hasattr(self,
'this'):
13515 if isinstance(p, tuple):
13517 self.__dict__.update(d)
13518 return self._set_from_binary(p)
13522 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13523 class RigidBodyTunneler(MonteCarloMover):
13524 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13528 def __init__(self, m, pis, ref, k, move_probability=1.):
13529 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13530 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13532 def add_entry_point(self, fl):
13533 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13534 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13536 def reset_stats(self):
13537 r"""reset_stats(RigidBodyTunneler self)"""
13538 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13540 def get_number_of_rejected_moves(self):
13541 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13542 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13544 def get_number_of_proposed_moves(self):
13545 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13546 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13548 def get_number_of_impossible_moves(self):
13549 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13550 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13552 def get_number_of_calls(self):
13553 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13554 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13557 def get_reduced_coordinates(*args):
13559 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13560 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13562 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13565 def set_reduced_coordinates(m, target, ref, coords):
13566 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13567 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13569 def get_version_info(self):
13570 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13571 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13572 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13575 r"""__str__(RigidBodyTunneler self) -> std::string"""
13576 return _IMP_core.RigidBodyTunneler___str__(self)
13578 def __repr__(self):
13579 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13580 return _IMP_core.RigidBodyTunneler___repr__(self)
13584 return _object_cast_to_RigidBodyTunneler(o)
13588 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13590 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13592 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13594 def __init__(self, *args):
13596 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13597 __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
13599 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13601 def set_x0(self, *args):
13603 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13604 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13606 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13609 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13610 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13613 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13614 return _IMP_core.RigidBodyUmbrella_get_x(self)
13616 def set_alpha(self, alpha):
13617 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13618 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13620 def set_k(self, k):
13621 r"""set_k(RigidBodyUmbrella self, double k)"""
13622 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13624 def get_version_info(self):
13625 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13626 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13627 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13630 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13631 return _IMP_core.RigidBodyUmbrella___str__(self)
13633 def __repr__(self):
13634 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13635 return _IMP_core.RigidBodyUmbrella___repr__(self)
13639 return _object_cast_to_RigidBodyUmbrella(o)
13643 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13645 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13647 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13649 def __init__(self, f, sc, volume):
13650 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13651 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13653 def do_get_inputs(self):
13654 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13655 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13657 def get_version_info(self):
13658 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13659 return _IMP_core.VolumeRestraint_get_version_info(self)
13660 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13663 r"""__str__(VolumeRestraint self) -> std::string"""
13664 return _IMP_core.VolumeRestraint___str__(self)
13666 def __repr__(self):
13667 r"""__repr__(VolumeRestraint self) -> std::string"""
13668 return _IMP_core.VolumeRestraint___repr__(self)
13672 return _object_cast_to_VolumeRestraint(o)
13676 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13679 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13680 return _IMP_core.get_centroid(ps)
13683 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13684 return _IMP_core.get_bounding_box(ps)
13686 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13688 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13690 def __init__(self, ps):
13691 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13692 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13694 def show_statistics(self, *args):
13695 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13696 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13699 r"""reset(MoveStatisticsScoreState self)"""
13700 return _IMP_core.MoveStatisticsScoreState_reset(self)
13702 def do_before_evaluate(self):
13703 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13704 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13706 def do_after_evaluate(self, da):
13707 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13708 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13710 def do_get_inputs(self):
13711 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13712 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13714 def do_get_outputs(self):
13715 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13716 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13718 def get_version_info(self):
13719 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13720 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13721 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13724 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13725 return _IMP_core.MoveStatisticsScoreState___str__(self)
13727 def __repr__(self):
13728 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13729 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13733 return _object_cast_to_MoveStatisticsScoreState(o)
13737 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13738 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13741 r"""Proxy of C++ IMP::core::Typed class."""
13743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13746 def get_type_key():
13747 r"""get_type_key() -> IntKey"""
13748 return _IMP_core.Typed_get_type_key()
13750 def __init__(self, *args):
13752 __init__(Typed self) -> Typed
13753 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13754 __init__(Typed self, _ParticleAdaptor d) -> Typed
13756 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13758 def show(self, *args):
13759 r"""show(Typed self, _ostream out=std::cout)"""
13760 return _IMP_core.Typed_show(self, *args)
13763 def setup_particle(*args):
13765 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13766 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13768 return _IMP_core.Typed_setup_particle(*args)
13771 def get_is_setup(*args):
13773 get_is_setup(_ParticleAdaptor p) -> bool
13774 get_is_setup(Model m, ParticleIndex pi) -> bool
13776 return _IMP_core.Typed_get_is_setup(*args)
13778 def get_type(self):
13779 r"""get_type(Typed self) -> ParticleType"""
13780 return _IMP_core.Typed_get_type(self)
13782 def set_type(self, pt):
13783 r"""set_type(Typed self, ParticleType pt)"""
13784 return _IMP_core.Typed_set_type(self, pt)
13786 def add_attribute(self, *args):
13788 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13789 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13790 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13791 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13792 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13793 add_attribute(Typed self, StringKey a0, IMP::String a1)
13794 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13795 add_attribute(Typed self, ObjectKey a0, Object a1)
13796 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13797 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13798 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13799 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13801 return _IMP_core.Typed_add_attribute(self, *args)
13803 def get_value(self, *args):
13805 get_value(Typed self, FloatKey a0) -> IMP::Float
13806 get_value(Typed self, IntKey a0) -> IMP::Int
13807 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13808 get_value(Typed self, IntsKey a0) -> IMP::Ints
13809 get_value(Typed self, StringKey a0) -> IMP::String
13810 get_value(Typed self, ParticleIndexKey a0) -> Particle
13811 get_value(Typed self, ObjectKey a0) -> Object
13812 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13813 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13814 get_value(Typed self, SparseStringKey a0) -> IMP::String
13815 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13817 return _IMP_core.Typed_get_value(self, *args)
13819 def set_value(self, *args):
13821 set_value(Typed self, FloatKey a0, IMP::Float a1)
13822 set_value(Typed self, IntKey a0, IMP::Int a1)
13823 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13824 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13825 set_value(Typed self, StringKey a0, IMP::String a1)
13826 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13827 set_value(Typed self, ObjectKey a0, Object a1)
13828 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13829 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13830 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13831 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13833 return _IMP_core.Typed_set_value(self, *args)
13835 def remove_attribute(self, *args):
13837 remove_attribute(Typed self, FloatKey a0)
13838 remove_attribute(Typed self, IntKey a0)
13839 remove_attribute(Typed self, FloatsKey a0)
13840 remove_attribute(Typed self, IntsKey a0)
13841 remove_attribute(Typed self, StringKey a0)
13842 remove_attribute(Typed self, ParticleIndexKey a0)
13843 remove_attribute(Typed self, ObjectKey a0)
13844 remove_attribute(Typed self, SparseFloatKey a0)
13845 remove_attribute(Typed self, SparseIntKey a0)
13846 remove_attribute(Typed self, SparseStringKey a0)
13847 remove_attribute(Typed self, SparseParticleIndexKey a0)
13849 return _IMP_core.Typed_remove_attribute(self, *args)
13851 def has_attribute(self, *args):
13853 has_attribute(Typed self, FloatKey a0) -> bool
13854 has_attribute(Typed self, IntKey a0) -> bool
13855 has_attribute(Typed self, FloatsKey a0) -> bool
13856 has_attribute(Typed self, IntsKey a0) -> bool
13857 has_attribute(Typed self, StringKey a0) -> bool
13858 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13859 has_attribute(Typed self, ObjectKey a0) -> bool
13860 has_attribute(Typed self, SparseFloatKey a0) -> bool
13861 has_attribute(Typed self, SparseIntKey a0) -> bool
13862 has_attribute(Typed self, SparseStringKey a0) -> bool
13863 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13865 return _IMP_core.Typed_has_attribute(self, *args)
13867 def get_derivative(self, a0):
13868 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13869 return _IMP_core.Typed_get_derivative(self, a0)
13871 def get_name(self):
13872 r"""get_name(Typed self) -> std::string"""
13873 return _IMP_core.Typed_get_name(self)
13875 def clear_caches(self):
13876 r"""clear_caches(Typed self)"""
13877 return _IMP_core.Typed_clear_caches(self)
13879 def set_name(self, a0):
13880 r"""set_name(Typed self, std::string a0)"""
13881 return _IMP_core.Typed_set_name(self, a0)
13884 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13885 return _IMP_core.Typed_set_check_level(self, a0)
13887 def add_to_derivative(self, a0, a1, a2):
13888 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13889 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13891 def set_is_optimized(self, a0, a1):
13892 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13893 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13895 def get_is_optimized(self, a0):
13896 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13897 return _IMP_core.Typed_get_is_optimized(self, a0)
13900 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13901 return _IMP_core.Typed_get_check_level(self)
13903 def __eq__(self, *args):
13905 __eq__(Typed self, Typed o) -> bool
13906 __eq__(Typed self, Particle d) -> bool
13908 return _IMP_core.Typed___eq__(self, *args)
13910 def __ne__(self, *args):
13912 __ne__(Typed self, Typed o) -> bool
13913 __ne__(Typed self, Particle d) -> bool
13915 return _IMP_core.Typed___ne__(self, *args)
13917 def __le__(self, *args):
13919 __le__(Typed self, Typed o) -> bool
13920 __le__(Typed self, Particle d) -> bool
13922 return _IMP_core.Typed___le__(self, *args)
13924 def __lt__(self, *args):
13926 __lt__(Typed self, Typed o) -> bool
13927 __lt__(Typed self, Particle d) -> bool
13929 return _IMP_core.Typed___lt__(self, *args)
13931 def __ge__(self, *args):
13933 __ge__(Typed self, Typed o) -> bool
13934 __ge__(Typed self, Particle d) -> bool
13936 return _IMP_core.Typed___ge__(self, *args)
13938 def __gt__(self, *args):
13940 __gt__(Typed self, Typed o) -> bool
13941 __gt__(Typed self, Particle d) -> bool
13943 return _IMP_core.Typed___gt__(self, *args)
13945 def __hash__(self):
13946 r"""__hash__(Typed self) -> std::size_t"""
13947 return _IMP_core.Typed___hash__(self)
13950 r"""__str__(Typed self) -> std::string"""
13951 return _IMP_core.Typed___str__(self)
13953 def __repr__(self):
13954 r"""__repr__(Typed self) -> std::string"""
13955 return _IMP_core.Typed___repr__(self)
13957 def _get_as_binary(self):
13958 r"""_get_as_binary(Typed self) -> PyObject *"""
13959 return _IMP_core.Typed__get_as_binary(self)
13961 def _set_from_binary(self, p):
13962 r"""_set_from_binary(Typed self, PyObject * p)"""
13963 return _IMP_core.Typed__set_from_binary(self, p)
13965 def __getstate__(self):
13966 p = self._get_as_binary()
13967 if len(self.__dict__) > 1:
13968 d = self.__dict__.copy()
13973 def __setstate__(self, p):
13974 if not hasattr(self,
'this'):
13976 if isinstance(p, tuple):
13978 self.__dict__.update(d)
13979 return self._set_from_binary(p)
13981 __swig_destroy__ = _IMP_core.delete_Typed
13984 _IMP_core.Typed_swigregister(Typed)
13986 def __lshift__(*args):
13988 __lshift__(_ostream out, XYZ n) -> _ostream
13989 __lshift__(_ostream out, XYZR n) -> _ostream
13990 __lshift__(_ostream out, Direction n) -> _ostream
13991 __lshift__(_ostream out, DirectionAngle n) -> _ostream
13992 __lshift__(_ostream out, Surface n) -> _ostream
13993 __lshift__(_ostream out, Centroid n) -> _ostream
13994 __lshift__(_ostream out, Cover n) -> _ostream
13995 __lshift__(_ostream out, Reference n) -> _ostream
13996 __lshift__(_ostream out, RigidMember n) -> _ostream
13997 __lshift__(_ostream out, RigidBody n) -> _ostream
13998 __lshift__(_ostream out, Gaussian n) -> _ostream
13999 __lshift__(_ostream out, Typed n) -> _ostream
14001 return _IMP_core.__lshift__(*args)
14003 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14005 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14007 def __init__(self, rs, out):
14008 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14009 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14011 def get_version_info(self):
14012 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14013 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14014 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14017 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14018 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14020 def __repr__(self):
14021 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14022 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14026 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14030 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14033 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14034 return _IMP_core.assign_blame(rs, ps, attribute)
14037 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14038 return _IMP_core.create_blame_geometries(*args)
14040 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14042 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14044 def __init__(self, m, q1, q2):
14045 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14046 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14048 def add_term(self, term):
14049 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14050 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14052 def do_get_inputs(self):
14053 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14054 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14056 def get_version_info(self):
14057 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14058 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14059 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14062 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14063 return _IMP_core.MultipleBinormalRestraint___str__(self)
14065 def __repr__(self):
14066 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14067 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14071 return _object_cast_to_MultipleBinormalRestraint(o)
14075 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14076 class BinormalTerm(object):
14077 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14081 def __init__(self):
14082 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14083 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14085 def set_correlation(self, correlation):
14086 r"""set_correlation(BinormalTerm self, double correlation)"""
14087 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14089 def set_weight(self, weight):
14090 r"""set_weight(BinormalTerm self, double weight)"""
14091 return _IMP_core.BinormalTerm_set_weight(self, weight)
14093 def set_means(self, means):
14094 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14095 return _IMP_core.BinormalTerm_set_means(self, means)
14097 def set_standard_deviations(self, stdevs):
14098 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14099 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14101 def show(self, *args):
14102 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14103 return _IMP_core.BinormalTerm_show(self, *args)
14106 r"""__str__(BinormalTerm self) -> std::string"""
14107 return _IMP_core.BinormalTerm___str__(self)
14109 def __repr__(self):
14110 r"""__repr__(BinormalTerm self) -> std::string"""
14111 return _IMP_core.BinormalTerm___repr__(self)
14113 def _get_as_binary(self):
14114 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14115 return _IMP_core.BinormalTerm__get_as_binary(self)
14117 def _set_from_binary(self, p):
14118 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14119 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14121 def __getstate__(self):
14122 p = self._get_as_binary()
14123 if len(self.__dict__) > 1:
14124 d = self.__dict__.copy()
14129 def __setstate__(self, p):
14130 if not hasattr(self,
'this'):
14132 if isinstance(p, tuple):
14134 self.__dict__.update(d)
14135 return self._set_from_binary(p)
14137 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14140 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14142 r"""Proxy of C++ IMP::core::Provenance class."""
14144 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14146 def get_previous(self):
14147 r"""get_previous(Provenance self) -> Provenance"""
14148 return _IMP_core.Provenance_get_previous(self)
14150 def set_previous(self, p):
14151 r"""set_previous(Provenance self, Provenance p)"""
14152 return _IMP_core.Provenance_set_previous(self, p)
14154 def __init__(self, *args):
14156 __init__(Provenance self) -> Provenance
14157 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14158 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14160 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14163 def get_is_setup(*args):
14165 get_is_setup(Model m, ParticleIndex pi) -> bool
14166 get_is_setup(_ParticleAdaptor p) -> bool
14168 return _IMP_core.Provenance_get_is_setup(*args)
14170 def show(self, *args):
14171 r"""show(Provenance self, _ostream out=std::cout)"""
14172 return _IMP_core.Provenance_show(self, *args)
14175 def setup_particle(*args):
14177 setup_particle(Model m, ParticleIndex pi) -> Provenance
14178 setup_particle(_ParticleAdaptor pa) -> Provenance
14180 return _IMP_core.Provenance_setup_particle(*args)
14182 def add_attribute(self, *args):
14184 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14185 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14186 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14187 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14188 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14189 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14190 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14191 add_attribute(Provenance self, ObjectKey a0, Object a1)
14192 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14193 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14194 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14195 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14197 return _IMP_core.Provenance_add_attribute(self, *args)
14199 def get_value(self, *args):
14201 get_value(Provenance self, FloatKey a0) -> IMP::Float
14202 get_value(Provenance self, IntKey a0) -> IMP::Int
14203 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14204 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14205 get_value(Provenance self, StringKey a0) -> IMP::String
14206 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14207 get_value(Provenance self, ObjectKey a0) -> Object
14208 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14209 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14210 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14211 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14213 return _IMP_core.Provenance_get_value(self, *args)
14215 def set_value(self, *args):
14217 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14218 set_value(Provenance self, IntKey a0, IMP::Int a1)
14219 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14220 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14221 set_value(Provenance self, StringKey a0, IMP::String a1)
14222 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14223 set_value(Provenance self, ObjectKey a0, Object a1)
14224 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14225 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14226 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14227 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14229 return _IMP_core.Provenance_set_value(self, *args)
14231 def remove_attribute(self, *args):
14233 remove_attribute(Provenance self, FloatKey a0)
14234 remove_attribute(Provenance self, IntKey a0)
14235 remove_attribute(Provenance self, FloatsKey a0)
14236 remove_attribute(Provenance self, IntsKey a0)
14237 remove_attribute(Provenance self, StringKey a0)
14238 remove_attribute(Provenance self, ParticleIndexKey a0)
14239 remove_attribute(Provenance self, ObjectKey a0)
14240 remove_attribute(Provenance self, SparseFloatKey a0)
14241 remove_attribute(Provenance self, SparseIntKey a0)
14242 remove_attribute(Provenance self, SparseStringKey a0)
14243 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14245 return _IMP_core.Provenance_remove_attribute(self, *args)
14247 def has_attribute(self, *args):
14249 has_attribute(Provenance self, FloatKey a0) -> bool
14250 has_attribute(Provenance self, IntKey a0) -> bool
14251 has_attribute(Provenance self, FloatsKey a0) -> bool
14252 has_attribute(Provenance self, IntsKey a0) -> bool
14253 has_attribute(Provenance self, StringKey a0) -> bool
14254 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14255 has_attribute(Provenance self, ObjectKey a0) -> bool
14256 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14257 has_attribute(Provenance self, SparseIntKey a0) -> bool
14258 has_attribute(Provenance self, SparseStringKey a0) -> bool
14259 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14261 return _IMP_core.Provenance_has_attribute(self, *args)
14263 def get_derivative(self, a0):
14264 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14265 return _IMP_core.Provenance_get_derivative(self, a0)
14267 def get_name(self):
14268 r"""get_name(Provenance self) -> std::string"""
14269 return _IMP_core.Provenance_get_name(self)
14271 def clear_caches(self):
14272 r"""clear_caches(Provenance self)"""
14273 return _IMP_core.Provenance_clear_caches(self)
14275 def set_name(self, a0):
14276 r"""set_name(Provenance self, std::string a0)"""
14277 return _IMP_core.Provenance_set_name(self, a0)
14280 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14281 return _IMP_core.Provenance_set_check_level(self, a0)
14283 def add_to_derivative(self, a0, a1, a2):
14284 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14285 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14287 def set_is_optimized(self, a0, a1):
14288 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14289 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14291 def get_is_optimized(self, a0):
14292 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14293 return _IMP_core.Provenance_get_is_optimized(self, a0)
14296 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14297 return _IMP_core.Provenance_get_check_level(self)
14299 def __eq__(self, *args):
14301 __eq__(Provenance self, Provenance o) -> bool
14302 __eq__(Provenance self, Particle d) -> bool
14304 return _IMP_core.Provenance___eq__(self, *args)
14306 def __ne__(self, *args):
14308 __ne__(Provenance self, Provenance o) -> bool
14309 __ne__(Provenance self, Particle d) -> bool
14311 return _IMP_core.Provenance___ne__(self, *args)
14313 def __le__(self, *args):
14315 __le__(Provenance self, Provenance o) -> bool
14316 __le__(Provenance self, Particle d) -> bool
14318 return _IMP_core.Provenance___le__(self, *args)
14320 def __lt__(self, *args):
14322 __lt__(Provenance self, Provenance o) -> bool
14323 __lt__(Provenance self, Particle d) -> bool
14325 return _IMP_core.Provenance___lt__(self, *args)
14327 def __ge__(self, *args):
14329 __ge__(Provenance self, Provenance o) -> bool
14330 __ge__(Provenance self, Particle d) -> bool
14332 return _IMP_core.Provenance___ge__(self, *args)
14334 def __gt__(self, *args):
14336 __gt__(Provenance self, Provenance o) -> bool
14337 __gt__(Provenance self, Particle d) -> bool
14339 return _IMP_core.Provenance___gt__(self, *args)
14341 def __hash__(self):
14342 r"""__hash__(Provenance self) -> std::size_t"""
14343 return _IMP_core.Provenance___hash__(self)
14346 r"""__str__(Provenance self) -> std::string"""
14347 return _IMP_core.Provenance___str__(self)
14349 def __repr__(self):
14350 r"""__repr__(Provenance self) -> std::string"""
14351 return _IMP_core.Provenance___repr__(self)
14353 def _get_as_binary(self):
14354 r"""_get_as_binary(Provenance self) -> PyObject *"""
14355 return _IMP_core.Provenance__get_as_binary(self)
14357 def _set_from_binary(self, p):
14358 r"""_set_from_binary(Provenance self, PyObject * p)"""
14359 return _IMP_core.Provenance__set_from_binary(self, p)
14361 def __getstate__(self):
14362 p = self._get_as_binary()
14363 if len(self.__dict__) > 1:
14364 d = self.__dict__.copy()
14369 def __setstate__(self, p):
14370 if not hasattr(self,
'this'):
14372 if isinstance(p, tuple):
14374 self.__dict__.update(d)
14375 return self._set_from_binary(p)
14377 __swig_destroy__ = _IMP_core.delete_Provenance
14380 _IMP_core.Provenance_swigregister(Provenance)
14381 class StructureProvenance(Provenance):
14382 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14384 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14386 def set_filename(self, filename):
14387 r"""set_filename(StructureProvenance self, std::string filename)"""
14388 return _IMP_core.StructureProvenance_set_filename(self, filename)
14390 def get_filename(self):
14391 r"""get_filename(StructureProvenance self) -> std::string"""
14392 return _IMP_core.StructureProvenance_get_filename(self)
14394 def set_chain_id(self, chain_id):
14395 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14396 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14399 r"""get_chain_id(StructureProvenance self) -> std::string"""
14400 return _IMP_core.StructureProvenance_get_chain_id(self)
14402 def set_residue_offset(self, residue_offset):
14403 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14404 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14406 def get_residue_offset(self):
14407 r"""get_residue_offset(StructureProvenance self) -> int"""
14408 return _IMP_core.StructureProvenance_get_residue_offset(self)
14410 def __init__(self, *args):
14412 __init__(StructureProvenance self) -> StructureProvenance
14413 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14414 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14416 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14419 def get_is_setup(*args):
14421 get_is_setup(Model m, ParticleIndex pi) -> bool
14422 get_is_setup(_ParticleAdaptor p) -> bool
14424 return _IMP_core.StructureProvenance_get_is_setup(*args)
14426 def show(self, *args):
14427 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14428 return _IMP_core.StructureProvenance_show(self, *args)
14431 def setup_particle(*args):
14433 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14434 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14435 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14436 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14437 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14438 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14440 return _IMP_core.StructureProvenance_setup_particle(*args)
14442 def add_attribute(self, *args):
14444 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14445 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14446 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14447 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14448 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14449 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14450 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14451 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14452 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14453 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14454 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14455 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14457 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14459 def get_value(self, *args):
14461 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14462 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14463 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14464 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14465 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14466 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14467 get_value(StructureProvenance self, ObjectKey a0) -> Object
14468 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14469 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14470 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14471 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14473 return _IMP_core.StructureProvenance_get_value(self, *args)
14475 def set_value(self, *args):
14477 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14478 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14479 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14480 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14481 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14482 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14483 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14484 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14485 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14486 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14487 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14489 return _IMP_core.StructureProvenance_set_value(self, *args)
14491 def remove_attribute(self, *args):
14493 remove_attribute(StructureProvenance self, FloatKey a0)
14494 remove_attribute(StructureProvenance self, IntKey a0)
14495 remove_attribute(StructureProvenance self, FloatsKey a0)
14496 remove_attribute(StructureProvenance self, IntsKey a0)
14497 remove_attribute(StructureProvenance self, StringKey a0)
14498 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14499 remove_attribute(StructureProvenance self, ObjectKey a0)
14500 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14501 remove_attribute(StructureProvenance self, SparseIntKey a0)
14502 remove_attribute(StructureProvenance self, SparseStringKey a0)
14503 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14505 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14507 def has_attribute(self, *args):
14509 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14510 has_attribute(StructureProvenance self, IntKey a0) -> bool
14511 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14512 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14513 has_attribute(StructureProvenance self, StringKey a0) -> bool
14514 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14515 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14516 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14517 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14518 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14519 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14521 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14523 def get_derivative(self, a0):
14524 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14525 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14527 def get_name(self):
14528 r"""get_name(StructureProvenance self) -> std::string"""
14529 return _IMP_core.StructureProvenance_get_name(self)
14531 def clear_caches(self):
14532 r"""clear_caches(StructureProvenance self)"""
14533 return _IMP_core.StructureProvenance_clear_caches(self)
14535 def set_name(self, a0):
14536 r"""set_name(StructureProvenance self, std::string a0)"""
14537 return _IMP_core.StructureProvenance_set_name(self, a0)
14540 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14541 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14543 def add_to_derivative(self, a0, a1, a2):
14544 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14545 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14547 def set_is_optimized(self, a0, a1):
14548 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14549 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14551 def get_is_optimized(self, a0):
14552 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14553 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14556 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14557 return _IMP_core.StructureProvenance_get_check_level(self)
14559 def __eq__(self, *args):
14561 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14562 __eq__(StructureProvenance self, Particle d) -> bool
14564 return _IMP_core.StructureProvenance___eq__(self, *args)
14566 def __ne__(self, *args):
14568 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14569 __ne__(StructureProvenance self, Particle d) -> bool
14571 return _IMP_core.StructureProvenance___ne__(self, *args)
14573 def __le__(self, *args):
14575 __le__(StructureProvenance self, StructureProvenance o) -> bool
14576 __le__(StructureProvenance self, Particle d) -> bool
14578 return _IMP_core.StructureProvenance___le__(self, *args)
14580 def __lt__(self, *args):
14582 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14583 __lt__(StructureProvenance self, Particle d) -> bool
14585 return _IMP_core.StructureProvenance___lt__(self, *args)
14587 def __ge__(self, *args):
14589 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14590 __ge__(StructureProvenance self, Particle d) -> bool
14592 return _IMP_core.StructureProvenance___ge__(self, *args)
14594 def __gt__(self, *args):
14596 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14597 __gt__(StructureProvenance self, Particle d) -> bool
14599 return _IMP_core.StructureProvenance___gt__(self, *args)
14601 def __hash__(self):
14602 r"""__hash__(StructureProvenance self) -> std::size_t"""
14603 return _IMP_core.StructureProvenance___hash__(self)
14606 r"""__str__(StructureProvenance self) -> std::string"""
14607 return _IMP_core.StructureProvenance___str__(self)
14609 def __repr__(self):
14610 r"""__repr__(StructureProvenance self) -> std::string"""
14611 return _IMP_core.StructureProvenance___repr__(self)
14613 def _get_as_binary(self):
14614 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14615 return _IMP_core.StructureProvenance__get_as_binary(self)
14617 def _set_from_binary(self, p):
14618 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14619 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14621 def __getstate__(self):
14622 p = self._get_as_binary()
14623 if len(self.__dict__) > 1:
14624 d = self.__dict__.copy()
14629 def __setstate__(self, p):
14630 if not hasattr(self,
'this'):
14632 if isinstance(p, tuple):
14634 self.__dict__.update(d)
14635 return self._set_from_binary(p)
14637 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14640 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14641 class SampleProvenance(Provenance):
14642 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14646 def set_method(self, method):
14647 r"""set_method(SampleProvenance self, std::string method)"""
14648 return _IMP_core.SampleProvenance_set_method(self, method)
14650 def get_method(self):
14651 r"""get_method(SampleProvenance self) -> std::string"""
14652 return _IMP_core.SampleProvenance_get_method(self)
14654 def set_number_of_frames(self, frames):
14655 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14656 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14659 r"""get_number_of_frames(SampleProvenance self) -> int"""
14660 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14662 def set_number_of_iterations(self, iterations):
14663 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14664 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14666 def get_number_of_iterations(self):
14667 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14668 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14670 def set_number_of_replicas(self, replicas):
14671 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14672 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14674 def get_number_of_replicas(self):
14675 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14676 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14678 def __init__(self, *args):
14680 __init__(SampleProvenance self) -> SampleProvenance
14681 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14682 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14684 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14687 def get_is_setup(*args):
14689 get_is_setup(Model m, ParticleIndex pi) -> bool
14690 get_is_setup(_ParticleAdaptor p) -> bool
14692 return _IMP_core.SampleProvenance_get_is_setup(*args)
14694 def show(self, *args):
14695 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14696 return _IMP_core.SampleProvenance_show(self, *args)
14699 def setup_particle(*args):
14701 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14702 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14703 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14704 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14705 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14706 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14708 return _IMP_core.SampleProvenance_setup_particle(*args)
14710 def add_attribute(self, *args):
14712 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14713 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14714 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14715 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14716 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14717 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14718 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14719 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14720 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14721 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14722 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14723 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14725 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14727 def get_value(self, *args):
14729 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14730 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14731 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14732 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14733 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14734 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14735 get_value(SampleProvenance self, ObjectKey a0) -> Object
14736 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14737 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14738 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14739 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14741 return _IMP_core.SampleProvenance_get_value(self, *args)
14743 def set_value(self, *args):
14745 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14746 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14747 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14748 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14749 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14750 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14751 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14752 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14753 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14754 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14755 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14757 return _IMP_core.SampleProvenance_set_value(self, *args)
14759 def remove_attribute(self, *args):
14761 remove_attribute(SampleProvenance self, FloatKey a0)
14762 remove_attribute(SampleProvenance self, IntKey a0)
14763 remove_attribute(SampleProvenance self, FloatsKey a0)
14764 remove_attribute(SampleProvenance self, IntsKey a0)
14765 remove_attribute(SampleProvenance self, StringKey a0)
14766 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14767 remove_attribute(SampleProvenance self, ObjectKey a0)
14768 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14769 remove_attribute(SampleProvenance self, SparseIntKey a0)
14770 remove_attribute(SampleProvenance self, SparseStringKey a0)
14771 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14773 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14775 def has_attribute(self, *args):
14777 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14778 has_attribute(SampleProvenance self, IntKey a0) -> bool
14779 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14780 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14781 has_attribute(SampleProvenance self, StringKey a0) -> bool
14782 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14783 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14784 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14785 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14786 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14787 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14789 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14791 def get_derivative(self, a0):
14792 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14793 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14795 def get_name(self):
14796 r"""get_name(SampleProvenance self) -> std::string"""
14797 return _IMP_core.SampleProvenance_get_name(self)
14799 def clear_caches(self):
14800 r"""clear_caches(SampleProvenance self)"""
14801 return _IMP_core.SampleProvenance_clear_caches(self)
14803 def set_name(self, a0):
14804 r"""set_name(SampleProvenance self, std::string a0)"""
14805 return _IMP_core.SampleProvenance_set_name(self, a0)
14808 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14809 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14811 def add_to_derivative(self, a0, a1, a2):
14812 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14813 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14815 def set_is_optimized(self, a0, a1):
14816 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14817 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14819 def get_is_optimized(self, a0):
14820 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14821 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14824 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14825 return _IMP_core.SampleProvenance_get_check_level(self)
14827 def __eq__(self, *args):
14829 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14830 __eq__(SampleProvenance self, Particle d) -> bool
14832 return _IMP_core.SampleProvenance___eq__(self, *args)
14834 def __ne__(self, *args):
14836 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14837 __ne__(SampleProvenance self, Particle d) -> bool
14839 return _IMP_core.SampleProvenance___ne__(self, *args)
14841 def __le__(self, *args):
14843 __le__(SampleProvenance self, SampleProvenance o) -> bool
14844 __le__(SampleProvenance self, Particle d) -> bool
14846 return _IMP_core.SampleProvenance___le__(self, *args)
14848 def __lt__(self, *args):
14850 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14851 __lt__(SampleProvenance self, Particle d) -> bool
14853 return _IMP_core.SampleProvenance___lt__(self, *args)
14855 def __ge__(self, *args):
14857 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14858 __ge__(SampleProvenance self, Particle d) -> bool
14860 return _IMP_core.SampleProvenance___ge__(self, *args)
14862 def __gt__(self, *args):
14864 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14865 __gt__(SampleProvenance self, Particle d) -> bool
14867 return _IMP_core.SampleProvenance___gt__(self, *args)
14869 def __hash__(self):
14870 r"""__hash__(SampleProvenance self) -> std::size_t"""
14871 return _IMP_core.SampleProvenance___hash__(self)
14874 r"""__str__(SampleProvenance self) -> std::string"""
14875 return _IMP_core.SampleProvenance___str__(self)
14877 def __repr__(self):
14878 r"""__repr__(SampleProvenance self) -> std::string"""
14879 return _IMP_core.SampleProvenance___repr__(self)
14881 def _get_as_binary(self):
14882 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14883 return _IMP_core.SampleProvenance__get_as_binary(self)
14885 def _set_from_binary(self, p):
14886 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14887 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14889 def __getstate__(self):
14890 p = self._get_as_binary()
14891 if len(self.__dict__) > 1:
14892 d = self.__dict__.copy()
14897 def __setstate__(self, p):
14898 if not hasattr(self,
'this'):
14900 if isinstance(p, tuple):
14902 self.__dict__.update(d)
14903 return self._set_from_binary(p)
14905 __swig_destroy__ = _IMP_core.delete_SampleProvenance
14908 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
14909 class CombineProvenance(Provenance):
14910 r"""Proxy of C++ IMP::core::CombineProvenance class."""
14912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14914 def set_number_of_frames(self, frames):
14915 r"""set_number_of_frames(CombineProvenance self, int frames)"""
14916 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
14919 r"""get_number_of_frames(CombineProvenance self) -> int"""
14920 return _IMP_core.CombineProvenance_get_number_of_frames(self)
14922 def set_number_of_runs(self, runs):
14923 r"""set_number_of_runs(CombineProvenance self, int runs)"""
14924 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
14926 def get_number_of_runs(self):
14927 r"""get_number_of_runs(CombineProvenance self) -> int"""
14928 return _IMP_core.CombineProvenance_get_number_of_runs(self)
14930 def __init__(self, *args):
14932 __init__(CombineProvenance self) -> CombineProvenance
14933 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
14934 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
14936 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
14939 def get_is_setup(*args):
14941 get_is_setup(Model m, ParticleIndex pi) -> bool
14942 get_is_setup(_ParticleAdaptor p) -> bool
14944 return _IMP_core.CombineProvenance_get_is_setup(*args)
14946 def show(self, *args):
14947 r"""show(CombineProvenance self, _ostream out=std::cout)"""
14948 return _IMP_core.CombineProvenance_show(self, *args)
14951 def setup_particle(*args):
14953 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
14954 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
14955 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
14956 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
14958 return _IMP_core.CombineProvenance_setup_particle(*args)
14960 def add_attribute(self, *args):
14962 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
14963 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
14964 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
14965 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14966 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14967 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
14968 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14969 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
14970 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14971 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14972 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14973 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14975 return _IMP_core.CombineProvenance_add_attribute(self, *args)
14977 def get_value(self, *args):
14979 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
14980 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
14981 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
14982 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
14983 get_value(CombineProvenance self, StringKey a0) -> IMP::String
14984 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
14985 get_value(CombineProvenance self, ObjectKey a0) -> Object
14986 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
14987 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
14988 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
14989 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14991 return _IMP_core.CombineProvenance_get_value(self, *args)
14993 def set_value(self, *args):
14995 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
14996 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
14997 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14998 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14999 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15000 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15001 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15002 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15003 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15004 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15005 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15007 return _IMP_core.CombineProvenance_set_value(self, *args)
15009 def remove_attribute(self, *args):
15011 remove_attribute(CombineProvenance self, FloatKey a0)
15012 remove_attribute(CombineProvenance self, IntKey a0)
15013 remove_attribute(CombineProvenance self, FloatsKey a0)
15014 remove_attribute(CombineProvenance self, IntsKey a0)
15015 remove_attribute(CombineProvenance self, StringKey a0)
15016 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15017 remove_attribute(CombineProvenance self, ObjectKey a0)
15018 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15019 remove_attribute(CombineProvenance self, SparseIntKey a0)
15020 remove_attribute(CombineProvenance self, SparseStringKey a0)
15021 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15023 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15025 def has_attribute(self, *args):
15027 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15028 has_attribute(CombineProvenance self, IntKey a0) -> bool
15029 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15030 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15031 has_attribute(CombineProvenance self, StringKey a0) -> bool
15032 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15033 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15034 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15035 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15036 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15037 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15039 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15041 def get_derivative(self, a0):
15042 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15043 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15045 def get_name(self):
15046 r"""get_name(CombineProvenance self) -> std::string"""
15047 return _IMP_core.CombineProvenance_get_name(self)
15049 def clear_caches(self):
15050 r"""clear_caches(CombineProvenance self)"""
15051 return _IMP_core.CombineProvenance_clear_caches(self)
15053 def set_name(self, a0):
15054 r"""set_name(CombineProvenance self, std::string a0)"""
15055 return _IMP_core.CombineProvenance_set_name(self, a0)
15058 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15059 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15061 def add_to_derivative(self, a0, a1, a2):
15062 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15063 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15065 def set_is_optimized(self, a0, a1):
15066 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15067 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15069 def get_is_optimized(self, a0):
15070 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15071 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15074 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15075 return _IMP_core.CombineProvenance_get_check_level(self)
15077 def __eq__(self, *args):
15079 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15080 __eq__(CombineProvenance self, Particle d) -> bool
15082 return _IMP_core.CombineProvenance___eq__(self, *args)
15084 def __ne__(self, *args):
15086 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15087 __ne__(CombineProvenance self, Particle d) -> bool
15089 return _IMP_core.CombineProvenance___ne__(self, *args)
15091 def __le__(self, *args):
15093 __le__(CombineProvenance self, CombineProvenance o) -> bool
15094 __le__(CombineProvenance self, Particle d) -> bool
15096 return _IMP_core.CombineProvenance___le__(self, *args)
15098 def __lt__(self, *args):
15100 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15101 __lt__(CombineProvenance self, Particle d) -> bool
15103 return _IMP_core.CombineProvenance___lt__(self, *args)
15105 def __ge__(self, *args):
15107 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15108 __ge__(CombineProvenance self, Particle d) -> bool
15110 return _IMP_core.CombineProvenance___ge__(self, *args)
15112 def __gt__(self, *args):
15114 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15115 __gt__(CombineProvenance self, Particle d) -> bool
15117 return _IMP_core.CombineProvenance___gt__(self, *args)
15119 def __hash__(self):
15120 r"""__hash__(CombineProvenance self) -> std::size_t"""
15121 return _IMP_core.CombineProvenance___hash__(self)
15124 r"""__str__(CombineProvenance self) -> std::string"""
15125 return _IMP_core.CombineProvenance___str__(self)
15127 def __repr__(self):
15128 r"""__repr__(CombineProvenance self) -> std::string"""
15129 return _IMP_core.CombineProvenance___repr__(self)
15131 def _get_as_binary(self):
15132 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15133 return _IMP_core.CombineProvenance__get_as_binary(self)
15135 def _set_from_binary(self, p):
15136 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15137 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15139 def __getstate__(self):
15140 p = self._get_as_binary()
15141 if len(self.__dict__) > 1:
15142 d = self.__dict__.copy()
15147 def __setstate__(self, p):
15148 if not hasattr(self,
'this'):
15150 if isinstance(p, tuple):
15152 self.__dict__.update(d)
15153 return self._set_from_binary(p)
15155 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15158 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15159 class FilterProvenance(Provenance):
15160 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15164 def set_method(self, method):
15165 r"""set_method(FilterProvenance self, std::string method)"""
15166 return _IMP_core.FilterProvenance_set_method(self, method)
15168 def get_method(self):
15169 r"""get_method(FilterProvenance self) -> std::string"""
15170 return _IMP_core.FilterProvenance_get_method(self)
15172 def set_number_of_frames(self, frames):
15173 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15174 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15177 r"""get_number_of_frames(FilterProvenance self) -> int"""
15178 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15180 def set_threshold(self, threshold):
15181 r"""set_threshold(FilterProvenance self, double threshold)"""
15182 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15184 def get_threshold(self):
15185 r"""get_threshold(FilterProvenance self) -> double"""
15186 return _IMP_core.FilterProvenance_get_threshold(self)
15188 def __init__(self, *args):
15190 __init__(FilterProvenance self) -> FilterProvenance
15191 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15192 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15194 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15197 def get_is_setup(*args):
15199 get_is_setup(Model m, ParticleIndex pi) -> bool
15200 get_is_setup(_ParticleAdaptor p) -> bool
15202 return _IMP_core.FilterProvenance_get_is_setup(*args)
15204 def show(self, *args):
15205 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15206 return _IMP_core.FilterProvenance_show(self, *args)
15209 def setup_particle(*args):
15211 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15212 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15213 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15214 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15216 return _IMP_core.FilterProvenance_setup_particle(*args)
15218 def add_attribute(self, *args):
15220 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15221 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15222 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15223 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15224 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15225 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15226 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15227 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15228 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15229 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15230 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15231 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15233 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15235 def get_value(self, *args):
15237 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15238 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15239 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15240 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15241 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15242 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15243 get_value(FilterProvenance self, ObjectKey a0) -> Object
15244 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15245 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15246 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15247 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15249 return _IMP_core.FilterProvenance_get_value(self, *args)
15251 def set_value(self, *args):
15253 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15254 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15255 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15256 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15257 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15258 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15259 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15260 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15261 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15262 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15263 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15265 return _IMP_core.FilterProvenance_set_value(self, *args)
15267 def remove_attribute(self, *args):
15269 remove_attribute(FilterProvenance self, FloatKey a0)
15270 remove_attribute(FilterProvenance self, IntKey a0)
15271 remove_attribute(FilterProvenance self, FloatsKey a0)
15272 remove_attribute(FilterProvenance self, IntsKey a0)
15273 remove_attribute(FilterProvenance self, StringKey a0)
15274 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15275 remove_attribute(FilterProvenance self, ObjectKey a0)
15276 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15277 remove_attribute(FilterProvenance self, SparseIntKey a0)
15278 remove_attribute(FilterProvenance self, SparseStringKey a0)
15279 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15281 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15283 def has_attribute(self, *args):
15285 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15286 has_attribute(FilterProvenance self, IntKey a0) -> bool
15287 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15288 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15289 has_attribute(FilterProvenance self, StringKey a0) -> bool
15290 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15291 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15292 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15293 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15294 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15295 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15297 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15299 def get_derivative(self, a0):
15300 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15301 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15303 def get_name(self):
15304 r"""get_name(FilterProvenance self) -> std::string"""
15305 return _IMP_core.FilterProvenance_get_name(self)
15307 def clear_caches(self):
15308 r"""clear_caches(FilterProvenance self)"""
15309 return _IMP_core.FilterProvenance_clear_caches(self)
15311 def set_name(self, a0):
15312 r"""set_name(FilterProvenance self, std::string a0)"""
15313 return _IMP_core.FilterProvenance_set_name(self, a0)
15316 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15317 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15319 def add_to_derivative(self, a0, a1, a2):
15320 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15321 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15323 def set_is_optimized(self, a0, a1):
15324 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15325 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15327 def get_is_optimized(self, a0):
15328 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15329 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15332 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15333 return _IMP_core.FilterProvenance_get_check_level(self)
15335 def __eq__(self, *args):
15337 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15338 __eq__(FilterProvenance self, Particle d) -> bool
15340 return _IMP_core.FilterProvenance___eq__(self, *args)
15342 def __ne__(self, *args):
15344 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15345 __ne__(FilterProvenance self, Particle d) -> bool
15347 return _IMP_core.FilterProvenance___ne__(self, *args)
15349 def __le__(self, *args):
15351 __le__(FilterProvenance self, FilterProvenance o) -> bool
15352 __le__(FilterProvenance self, Particle d) -> bool
15354 return _IMP_core.FilterProvenance___le__(self, *args)
15356 def __lt__(self, *args):
15358 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15359 __lt__(FilterProvenance self, Particle d) -> bool
15361 return _IMP_core.FilterProvenance___lt__(self, *args)
15363 def __ge__(self, *args):
15365 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15366 __ge__(FilterProvenance self, Particle d) -> bool
15368 return _IMP_core.FilterProvenance___ge__(self, *args)
15370 def __gt__(self, *args):
15372 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15373 __gt__(FilterProvenance self, Particle d) -> bool
15375 return _IMP_core.FilterProvenance___gt__(self, *args)
15377 def __hash__(self):
15378 r"""__hash__(FilterProvenance self) -> std::size_t"""
15379 return _IMP_core.FilterProvenance___hash__(self)
15382 r"""__str__(FilterProvenance self) -> std::string"""
15383 return _IMP_core.FilterProvenance___str__(self)
15385 def __repr__(self):
15386 r"""__repr__(FilterProvenance self) -> std::string"""
15387 return _IMP_core.FilterProvenance___repr__(self)
15389 def _get_as_binary(self):
15390 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15391 return _IMP_core.FilterProvenance__get_as_binary(self)
15393 def _set_from_binary(self, p):
15394 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15395 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15397 def __getstate__(self):
15398 p = self._get_as_binary()
15399 if len(self.__dict__) > 1:
15400 d = self.__dict__.copy()
15405 def __setstate__(self, p):
15406 if not hasattr(self,
'this'):
15408 if isinstance(p, tuple):
15410 self.__dict__.update(d)
15411 return self._set_from_binary(p)
15413 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15416 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15417 class ClusterProvenance(Provenance):
15418 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15420 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15422 def set_number_of_members(self, members):
15423 r"""set_number_of_members(ClusterProvenance self, int members)"""
15424 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15426 def get_number_of_members(self):
15427 r"""get_number_of_members(ClusterProvenance self) -> int"""
15428 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15430 def set_precision(self, precision):
15431 r"""set_precision(ClusterProvenance self, double precision)"""
15432 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15434 def get_precision(self):
15435 r"""get_precision(ClusterProvenance self) -> double"""
15436 return _IMP_core.ClusterProvenance_get_precision(self)
15438 def set_density(self, density):
15439 r"""set_density(ClusterProvenance self, std::string density)"""
15440 return _IMP_core.ClusterProvenance_set_density(self, density)
15442 def get_density(self):
15443 r"""get_density(ClusterProvenance self) -> std::string"""
15444 return _IMP_core.ClusterProvenance_get_density(self)
15446 def __init__(self, *args):
15448 __init__(ClusterProvenance self) -> ClusterProvenance
15449 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15450 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15452 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15455 def get_is_setup(*args):
15457 get_is_setup(Model m, ParticleIndex pi) -> bool
15458 get_is_setup(_ParticleAdaptor p) -> bool
15460 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15462 def show(self, *args):
15463 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15464 return _IMP_core.ClusterProvenance_show(self, *args)
15467 def setup_particle(*args):
15469 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15470 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15471 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15472 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15473 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15474 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15475 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15476 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15478 return _IMP_core.ClusterProvenance_setup_particle(*args)
15480 def add_attribute(self, *args):
15482 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15483 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15484 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15485 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15486 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15487 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15488 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15489 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15490 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15491 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15492 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15493 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15495 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15497 def get_value(self, *args):
15499 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15500 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15501 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15502 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15503 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15504 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15505 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15506 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15507 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15508 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15509 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15511 return _IMP_core.ClusterProvenance_get_value(self, *args)
15513 def set_value(self, *args):
15515 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15516 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15517 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15518 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15519 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15520 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15521 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15522 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15523 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15524 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15525 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15527 return _IMP_core.ClusterProvenance_set_value(self, *args)
15529 def remove_attribute(self, *args):
15531 remove_attribute(ClusterProvenance self, FloatKey a0)
15532 remove_attribute(ClusterProvenance self, IntKey a0)
15533 remove_attribute(ClusterProvenance self, FloatsKey a0)
15534 remove_attribute(ClusterProvenance self, IntsKey a0)
15535 remove_attribute(ClusterProvenance self, StringKey a0)
15536 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15537 remove_attribute(ClusterProvenance self, ObjectKey a0)
15538 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15539 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15540 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15541 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15543 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15545 def has_attribute(self, *args):
15547 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15548 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15549 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15550 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15551 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15552 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15553 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15554 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15555 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15556 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15557 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15559 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15561 def get_derivative(self, a0):
15562 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15563 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15565 def get_name(self):
15566 r"""get_name(ClusterProvenance self) -> std::string"""
15567 return _IMP_core.ClusterProvenance_get_name(self)
15569 def clear_caches(self):
15570 r"""clear_caches(ClusterProvenance self)"""
15571 return _IMP_core.ClusterProvenance_clear_caches(self)
15573 def set_name(self, a0):
15574 r"""set_name(ClusterProvenance self, std::string a0)"""
15575 return _IMP_core.ClusterProvenance_set_name(self, a0)
15578 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15579 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15581 def add_to_derivative(self, a0, a1, a2):
15582 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15583 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15585 def set_is_optimized(self, a0, a1):
15586 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15587 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15589 def get_is_optimized(self, a0):
15590 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15591 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15594 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15595 return _IMP_core.ClusterProvenance_get_check_level(self)
15597 def __eq__(self, *args):
15599 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15600 __eq__(ClusterProvenance self, Particle d) -> bool
15602 return _IMP_core.ClusterProvenance___eq__(self, *args)
15604 def __ne__(self, *args):
15606 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15607 __ne__(ClusterProvenance self, Particle d) -> bool
15609 return _IMP_core.ClusterProvenance___ne__(self, *args)
15611 def __le__(self, *args):
15613 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15614 __le__(ClusterProvenance self, Particle d) -> bool
15616 return _IMP_core.ClusterProvenance___le__(self, *args)
15618 def __lt__(self, *args):
15620 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15621 __lt__(ClusterProvenance self, Particle d) -> bool
15623 return _IMP_core.ClusterProvenance___lt__(self, *args)
15625 def __ge__(self, *args):
15627 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15628 __ge__(ClusterProvenance self, Particle d) -> bool
15630 return _IMP_core.ClusterProvenance___ge__(self, *args)
15632 def __gt__(self, *args):
15634 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15635 __gt__(ClusterProvenance self, Particle d) -> bool
15637 return _IMP_core.ClusterProvenance___gt__(self, *args)
15639 def __hash__(self):
15640 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15641 return _IMP_core.ClusterProvenance___hash__(self)
15644 r"""__str__(ClusterProvenance self) -> std::string"""
15645 return _IMP_core.ClusterProvenance___str__(self)
15647 def __repr__(self):
15648 r"""__repr__(ClusterProvenance self) -> std::string"""
15649 return _IMP_core.ClusterProvenance___repr__(self)
15651 def _get_as_binary(self):
15652 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15653 return _IMP_core.ClusterProvenance__get_as_binary(self)
15655 def _set_from_binary(self, p):
15656 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15657 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15659 def __getstate__(self):
15660 p = self._get_as_binary()
15661 if len(self.__dict__) > 1:
15662 d = self.__dict__.copy()
15667 def __setstate__(self, p):
15668 if not hasattr(self,
'this'):
15670 if isinstance(p, tuple):
15672 self.__dict__.update(d)
15673 return self._set_from_binary(p)
15675 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15678 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15679 class ScriptProvenance(Provenance):
15680 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15682 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15684 def set_filename(self, filename):
15685 r"""set_filename(ScriptProvenance self, std::string filename)"""
15686 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15688 def get_filename(self):
15689 r"""get_filename(ScriptProvenance self) -> std::string"""
15690 return _IMP_core.ScriptProvenance_get_filename(self)
15692 def __init__(self, *args):
15694 __init__(ScriptProvenance self) -> ScriptProvenance
15695 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15696 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15698 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15701 def get_is_setup(*args):
15703 get_is_setup(Model m, ParticleIndex pi) -> bool
15704 get_is_setup(_ParticleAdaptor p) -> bool
15706 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15708 def show(self, *args):
15709 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15710 return _IMP_core.ScriptProvenance_show(self, *args)
15713 def setup_particle(*args):
15715 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15716 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15717 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15718 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15720 return _IMP_core.ScriptProvenance_setup_particle(*args)
15722 def add_attribute(self, *args):
15724 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15725 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15726 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15727 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15728 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15729 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15730 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15731 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15732 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15733 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15734 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15735 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15737 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15739 def get_value(self, *args):
15741 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15742 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15743 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15744 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15745 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15746 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15747 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15748 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15749 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15750 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15751 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15753 return _IMP_core.ScriptProvenance_get_value(self, *args)
15755 def set_value(self, *args):
15757 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15758 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15759 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15760 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15761 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15762 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15763 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15764 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15765 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15766 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15767 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15769 return _IMP_core.ScriptProvenance_set_value(self, *args)
15771 def remove_attribute(self, *args):
15773 remove_attribute(ScriptProvenance self, FloatKey a0)
15774 remove_attribute(ScriptProvenance self, IntKey a0)
15775 remove_attribute(ScriptProvenance self, FloatsKey a0)
15776 remove_attribute(ScriptProvenance self, IntsKey a0)
15777 remove_attribute(ScriptProvenance self, StringKey a0)
15778 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15779 remove_attribute(ScriptProvenance self, ObjectKey a0)
15780 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15781 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15782 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15783 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15785 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15787 def has_attribute(self, *args):
15789 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15790 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15791 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15792 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15793 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15794 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15795 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15796 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15797 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15798 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15799 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15801 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15803 def get_derivative(self, a0):
15804 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15805 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15807 def get_name(self):
15808 r"""get_name(ScriptProvenance self) -> std::string"""
15809 return _IMP_core.ScriptProvenance_get_name(self)
15811 def clear_caches(self):
15812 r"""clear_caches(ScriptProvenance self)"""
15813 return _IMP_core.ScriptProvenance_clear_caches(self)
15815 def set_name(self, a0):
15816 r"""set_name(ScriptProvenance self, std::string a0)"""
15817 return _IMP_core.ScriptProvenance_set_name(self, a0)
15820 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15821 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15823 def add_to_derivative(self, a0, a1, a2):
15824 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15825 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15827 def set_is_optimized(self, a0, a1):
15828 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15829 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15831 def get_is_optimized(self, a0):
15832 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15833 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15836 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15837 return _IMP_core.ScriptProvenance_get_check_level(self)
15839 def __eq__(self, *args):
15841 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15842 __eq__(ScriptProvenance self, Particle d) -> bool
15844 return _IMP_core.ScriptProvenance___eq__(self, *args)
15846 def __ne__(self, *args):
15848 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15849 __ne__(ScriptProvenance self, Particle d) -> bool
15851 return _IMP_core.ScriptProvenance___ne__(self, *args)
15853 def __le__(self, *args):
15855 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15856 __le__(ScriptProvenance self, Particle d) -> bool
15858 return _IMP_core.ScriptProvenance___le__(self, *args)
15860 def __lt__(self, *args):
15862 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15863 __lt__(ScriptProvenance self, Particle d) -> bool
15865 return _IMP_core.ScriptProvenance___lt__(self, *args)
15867 def __ge__(self, *args):
15869 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15870 __ge__(ScriptProvenance self, Particle d) -> bool
15872 return _IMP_core.ScriptProvenance___ge__(self, *args)
15874 def __gt__(self, *args):
15876 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15877 __gt__(ScriptProvenance self, Particle d) -> bool
15879 return _IMP_core.ScriptProvenance___gt__(self, *args)
15881 def __hash__(self):
15882 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15883 return _IMP_core.ScriptProvenance___hash__(self)
15886 r"""__str__(ScriptProvenance self) -> std::string"""
15887 return _IMP_core.ScriptProvenance___str__(self)
15889 def __repr__(self):
15890 r"""__repr__(ScriptProvenance self) -> std::string"""
15891 return _IMP_core.ScriptProvenance___repr__(self)
15893 def _get_as_binary(self):
15894 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15895 return _IMP_core.ScriptProvenance__get_as_binary(self)
15897 def _set_from_binary(self, p):
15898 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15899 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15901 def __getstate__(self):
15902 p = self._get_as_binary()
15903 if len(self.__dict__) > 1:
15904 d = self.__dict__.copy()
15909 def __setstate__(self, p):
15910 if not hasattr(self,
'this'):
15912 if isinstance(p, tuple):
15914 self.__dict__.update(d)
15915 return self._set_from_binary(p)
15917 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
15920 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
15921 class SoftwareProvenance(Provenance):
15922 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
15924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15926 def set_software_name(self, name):
15927 r"""set_software_name(SoftwareProvenance self, std::string name)"""
15928 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
15930 def get_software_name(self):
15931 r"""get_software_name(SoftwareProvenance self) -> std::string"""
15932 return _IMP_core.SoftwareProvenance_get_software_name(self)
15934 def set_version(self, version):
15935 r"""set_version(SoftwareProvenance self, std::string version)"""
15936 return _IMP_core.SoftwareProvenance_set_version(self, version)
15938 def get_version(self):
15939 r"""get_version(SoftwareProvenance self) -> std::string"""
15940 return _IMP_core.SoftwareProvenance_get_version(self)
15942 def set_location(self, location):
15943 r"""set_location(SoftwareProvenance self, std::string location)"""
15944 return _IMP_core.SoftwareProvenance_set_location(self, location)
15946 def get_location(self):
15947 r"""get_location(SoftwareProvenance self) -> std::string"""
15948 return _IMP_core.SoftwareProvenance_get_location(self)
15950 def __init__(self, *args):
15952 __init__(SoftwareProvenance self) -> SoftwareProvenance
15953 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
15954 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
15956 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
15959 def get_is_setup(*args):
15961 get_is_setup(Model m, ParticleIndex pi) -> bool
15962 get_is_setup(_ParticleAdaptor p) -> bool
15964 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
15966 def show(self, *args):
15967 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
15968 return _IMP_core.SoftwareProvenance_show(self, *args)
15971 def setup_particle(*args):
15973 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
15974 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
15975 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
15976 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
15978 return _IMP_core.SoftwareProvenance_setup_particle(*args)
15980 def add_attribute(self, *args):
15982 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
15983 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15984 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15985 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15986 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15987 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
15988 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15989 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
15990 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15991 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15992 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15993 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15995 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
15997 def get_value(self, *args):
15999 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16000 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16001 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16002 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16003 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16004 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16005 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16006 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16007 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16008 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16009 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16011 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16013 def set_value(self, *args):
16015 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16016 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16017 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16018 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16019 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16020 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16021 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16022 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16023 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16024 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16025 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16027 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16029 def remove_attribute(self, *args):
16031 remove_attribute(SoftwareProvenance self, FloatKey a0)
16032 remove_attribute(SoftwareProvenance self, IntKey a0)
16033 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16034 remove_attribute(SoftwareProvenance self, IntsKey a0)
16035 remove_attribute(SoftwareProvenance self, StringKey a0)
16036 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16037 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16038 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16039 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16040 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16041 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16043 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16045 def has_attribute(self, *args):
16047 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16048 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16049 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16050 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16051 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16052 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16053 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16054 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16055 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16056 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16057 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16059 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16061 def get_derivative(self, a0):
16062 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16063 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16065 def get_name(self):
16066 r"""get_name(SoftwareProvenance self) -> std::string"""
16067 return _IMP_core.SoftwareProvenance_get_name(self)
16069 def clear_caches(self):
16070 r"""clear_caches(SoftwareProvenance self)"""
16071 return _IMP_core.SoftwareProvenance_clear_caches(self)
16073 def set_name(self, a0):
16074 r"""set_name(SoftwareProvenance self, std::string a0)"""
16075 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16078 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16079 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16081 def add_to_derivative(self, a0, a1, a2):
16082 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16083 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16085 def set_is_optimized(self, a0, a1):
16086 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16087 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16089 def get_is_optimized(self, a0):
16090 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16091 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16094 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16095 return _IMP_core.SoftwareProvenance_get_check_level(self)
16097 def __eq__(self, *args):
16099 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16100 __eq__(SoftwareProvenance self, Particle d) -> bool
16102 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16104 def __ne__(self, *args):
16106 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16107 __ne__(SoftwareProvenance self, Particle d) -> bool
16109 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16111 def __le__(self, *args):
16113 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16114 __le__(SoftwareProvenance self, Particle d) -> bool
16116 return _IMP_core.SoftwareProvenance___le__(self, *args)
16118 def __lt__(self, *args):
16120 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16121 __lt__(SoftwareProvenance self, Particle d) -> bool
16123 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16125 def __ge__(self, *args):
16127 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16128 __ge__(SoftwareProvenance self, Particle d) -> bool
16130 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16132 def __gt__(self, *args):
16134 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16135 __gt__(SoftwareProvenance self, Particle d) -> bool
16137 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16139 def __hash__(self):
16140 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16141 return _IMP_core.SoftwareProvenance___hash__(self)
16144 r"""__str__(SoftwareProvenance self) -> std::string"""
16145 return _IMP_core.SoftwareProvenance___str__(self)
16147 def __repr__(self):
16148 r"""__repr__(SoftwareProvenance self) -> std::string"""
16149 return _IMP_core.SoftwareProvenance___repr__(self)
16151 def _get_as_binary(self):
16152 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16153 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16155 def _set_from_binary(self, p):
16156 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16157 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16159 def __getstate__(self):
16160 p = self._get_as_binary()
16161 if len(self.__dict__) > 1:
16162 d = self.__dict__.copy()
16167 def __setstate__(self, p):
16168 if not hasattr(self,
'this'):
16170 if isinstance(p, tuple):
16172 self.__dict__.update(d)
16173 return self._set_from_binary(p)
16175 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16178 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16180 r"""Proxy of C++ IMP::core::Provenanced class."""
16182 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16184 def get_provenance(self):
16185 r"""get_provenance(Provenanced self) -> Provenance"""
16186 return _IMP_core.Provenanced_get_provenance(self)
16188 def set_provenance(self, p):
16189 r"""set_provenance(Provenanced self, Provenance p)"""
16190 return _IMP_core.Provenanced_set_provenance(self, p)
16192 def __init__(self, *args):
16194 __init__(Provenanced self) -> Provenanced
16195 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16196 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16198 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16201 def get_is_setup(*args):
16203 get_is_setup(Model m, ParticleIndex pi) -> bool
16204 get_is_setup(_ParticleAdaptor p) -> bool
16206 return _IMP_core.Provenanced_get_is_setup(*args)
16208 def show(self, *args):
16209 r"""show(Provenanced self, _ostream out=std::cout)"""
16210 return _IMP_core.Provenanced_show(self, *args)
16213 def setup_particle(*args):
16215 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16216 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16218 return _IMP_core.Provenanced_setup_particle(*args)
16220 def add_attribute(self, *args):
16222 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16223 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16224 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16225 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16226 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16227 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16228 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16229 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16230 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16231 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16232 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16233 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16235 return _IMP_core.Provenanced_add_attribute(self, *args)
16237 def get_value(self, *args):
16239 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16240 get_value(Provenanced self, IntKey a0) -> IMP::Int
16241 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16242 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16243 get_value(Provenanced self, StringKey a0) -> IMP::String
16244 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16245 get_value(Provenanced self, ObjectKey a0) -> Object
16246 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16247 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16248 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16249 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16251 return _IMP_core.Provenanced_get_value(self, *args)
16253 def set_value(self, *args):
16255 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16256 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16257 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16258 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16259 set_value(Provenanced self, StringKey a0, IMP::String a1)
16260 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16261 set_value(Provenanced self, ObjectKey a0, Object a1)
16262 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16263 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16264 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16265 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16267 return _IMP_core.Provenanced_set_value(self, *args)
16269 def remove_attribute(self, *args):
16271 remove_attribute(Provenanced self, FloatKey a0)
16272 remove_attribute(Provenanced self, IntKey a0)
16273 remove_attribute(Provenanced self, FloatsKey a0)
16274 remove_attribute(Provenanced self, IntsKey a0)
16275 remove_attribute(Provenanced self, StringKey a0)
16276 remove_attribute(Provenanced self, ParticleIndexKey a0)
16277 remove_attribute(Provenanced self, ObjectKey a0)
16278 remove_attribute(Provenanced self, SparseFloatKey a0)
16279 remove_attribute(Provenanced self, SparseIntKey a0)
16280 remove_attribute(Provenanced self, SparseStringKey a0)
16281 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16283 return _IMP_core.Provenanced_remove_attribute(self, *args)
16285 def has_attribute(self, *args):
16287 has_attribute(Provenanced self, FloatKey a0) -> bool
16288 has_attribute(Provenanced self, IntKey a0) -> bool
16289 has_attribute(Provenanced self, FloatsKey a0) -> bool
16290 has_attribute(Provenanced self, IntsKey a0) -> bool
16291 has_attribute(Provenanced self, StringKey a0) -> bool
16292 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16293 has_attribute(Provenanced self, ObjectKey a0) -> bool
16294 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16295 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16296 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16297 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16299 return _IMP_core.Provenanced_has_attribute(self, *args)
16301 def get_derivative(self, a0):
16302 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16303 return _IMP_core.Provenanced_get_derivative(self, a0)
16305 def get_name(self):
16306 r"""get_name(Provenanced self) -> std::string"""
16307 return _IMP_core.Provenanced_get_name(self)
16309 def clear_caches(self):
16310 r"""clear_caches(Provenanced self)"""
16311 return _IMP_core.Provenanced_clear_caches(self)
16313 def set_name(self, a0):
16314 r"""set_name(Provenanced self, std::string a0)"""
16315 return _IMP_core.Provenanced_set_name(self, a0)
16318 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16319 return _IMP_core.Provenanced_set_check_level(self, a0)
16321 def add_to_derivative(self, a0, a1, a2):
16322 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16323 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16325 def set_is_optimized(self, a0, a1):
16326 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16327 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16329 def get_is_optimized(self, a0):
16330 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16331 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16334 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16335 return _IMP_core.Provenanced_get_check_level(self)
16337 def __eq__(self, *args):
16339 __eq__(Provenanced self, Provenanced o) -> bool
16340 __eq__(Provenanced self, Particle d) -> bool
16342 return _IMP_core.Provenanced___eq__(self, *args)
16344 def __ne__(self, *args):
16346 __ne__(Provenanced self, Provenanced o) -> bool
16347 __ne__(Provenanced self, Particle d) -> bool
16349 return _IMP_core.Provenanced___ne__(self, *args)
16351 def __le__(self, *args):
16353 __le__(Provenanced self, Provenanced o) -> bool
16354 __le__(Provenanced self, Particle d) -> bool
16356 return _IMP_core.Provenanced___le__(self, *args)
16358 def __lt__(self, *args):
16360 __lt__(Provenanced self, Provenanced o) -> bool
16361 __lt__(Provenanced self, Particle d) -> bool
16363 return _IMP_core.Provenanced___lt__(self, *args)
16365 def __ge__(self, *args):
16367 __ge__(Provenanced self, Provenanced o) -> bool
16368 __ge__(Provenanced self, Particle d) -> bool
16370 return _IMP_core.Provenanced___ge__(self, *args)
16372 def __gt__(self, *args):
16374 __gt__(Provenanced self, Provenanced o) -> bool
16375 __gt__(Provenanced self, Particle d) -> bool
16377 return _IMP_core.Provenanced___gt__(self, *args)
16379 def __hash__(self):
16380 r"""__hash__(Provenanced self) -> std::size_t"""
16381 return _IMP_core.Provenanced___hash__(self)
16384 r"""__str__(Provenanced self) -> std::string"""
16385 return _IMP_core.Provenanced___str__(self)
16387 def __repr__(self):
16388 r"""__repr__(Provenanced self) -> std::string"""
16389 return _IMP_core.Provenanced___repr__(self)
16391 def _get_as_binary(self):
16392 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16393 return _IMP_core.Provenanced__get_as_binary(self)
16395 def _set_from_binary(self, p):
16396 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16397 return _IMP_core.Provenanced__set_from_binary(self, p)
16399 def __getstate__(self):
16400 p = self._get_as_binary()
16401 if len(self.__dict__) > 1:
16402 d = self.__dict__.copy()
16407 def __setstate__(self, p):
16408 if not hasattr(self,
'this'):
16410 if isinstance(p, tuple):
16412 self.__dict__.update(d)
16413 return self._set_from_binary(p)
16415 __swig_destroy__ = _IMP_core.delete_Provenanced
16418 _IMP_core.Provenanced_swigregister(Provenanced)
16421 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16422 return _IMP_core.add_provenance(m, pi, p)
16425 r"""create_clone(Provenance p) -> Provenance"""
16426 return _IMP_core.create_clone(p)
16430 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16431 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::algebra::VectorD< 3 >,std::allocator< IMP::algebra::VectorD< 3 > > > const & b) -> Transformation3D
16432 get_transformation_aligning_first_to_second(IMP::Vector< IMP::algebra::VectorD< 3 >,std::allocator< IMP::algebra::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16434 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16437 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16438 return _IMP_core.create_restraint(ps, pp)
16440 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16442 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16444 def __init__(self, *args):
16446 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16447 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16449 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16451 def get_version_info(self):
16452 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16453 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16454 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16457 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16458 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16460 def __repr__(self):
16461 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16462 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16466 return _object_cast_to_TruncatedHarmonic(o)
16470 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16472 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16474 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16476 def __init__(self, *args):
16478 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16479 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16481 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16483 def get_version_info(self):
16484 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16485 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16486 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16489 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16490 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16492 def __repr__(self):
16493 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16494 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16498 return _object_cast_to_TruncatedHarmonic(o)
16502 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16504 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16508 def __init__(self, *args):
16510 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16511 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16513 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16515 def get_version_info(self):
16516 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16517 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16518 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16521 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16522 return _IMP_core.TruncatedHarmonicBound___str__(self)
16524 def __repr__(self):
16525 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16526 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16530 return _object_cast_to_TruncatedHarmonic(o)
16534 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16536 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16538 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16540 def __init__(self, *args):
16542 __init__(ParticleType self) -> ParticleType
16543 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16544 __init__(ParticleType self, unsigned int i) -> ParticleType
16546 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16550 r"""add_key(std::string sc) -> unsigned int"""
16551 return _IMP_core.ParticleType_add_key(sc)
16554 def get_key_exists(sc):
16555 r"""get_key_exists(std::string sc) -> bool"""
16556 return _IMP_core.ParticleType_get_key_exists(sc)
16558 def get_string(self):
16559 r"""get_string(ParticleType self) -> std::string const"""
16560 return _IMP_core.ParticleType_get_string(self)
16562 def __cmp__(self, o):
16563 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16564 return _IMP_core.ParticleType___cmp__(self, o)
16566 def __eq__(self, o):
16567 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16568 return _IMP_core.ParticleType___eq__(self, o)
16570 def __ne__(self, o):
16571 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16572 return _IMP_core.ParticleType___ne__(self, o)
16574 def __lt__(self, o):
16575 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16576 return _IMP_core.ParticleType___lt__(self, o)
16578 def __gt__(self, o):
16579 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16580 return _IMP_core.ParticleType___gt__(self, o)
16582 def __ge__(self, o):
16583 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16584 return _IMP_core.ParticleType___ge__(self, o)
16586 def __le__(self, o):
16587 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16588 return _IMP_core.ParticleType___le__(self, o)
16590 def __hash__(self):
16591 r"""__hash__(ParticleType self) -> std::size_t"""
16592 return _IMP_core.ParticleType___hash__(self)
16594 def show(self, *args):
16595 r"""show(ParticleType self, _ostream out=std::cout)"""
16596 return _IMP_core.ParticleType_show(self, *args)
16599 def add_alias(old_key, new_name):
16600 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16601 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16604 def get_number_of_keys():
16605 r"""get_number_of_keys() -> unsigned int"""
16606 return _IMP_core.ParticleType_get_number_of_keys()
16609 r"""get_index(ParticleType self) -> unsigned int"""
16610 return _IMP_core.ParticleType_get_index(self)
16614 r"""show_all(_ostream out)"""
16615 return _IMP_core.ParticleType_show_all(out)
16618 def get_all_strings():
16619 r"""get_all_strings() -> IMP::Vector< std::string >"""
16620 return _IMP_core.ParticleType_get_all_strings()
16623 def get_number_unique():
16624 r"""get_number_unique() -> unsigned int"""
16625 return _IMP_core.ParticleType_get_number_unique()
16628 r"""__str__(ParticleType self) -> std::string"""
16629 return _IMP_core.ParticleType___str__(self)
16631 def __repr__(self):
16632 r"""__repr__(ParticleType self) -> std::string"""
16633 return _IMP_core.ParticleType___repr__(self)
16634 __swig_destroy__ = _IMP_core.delete_ParticleType
16637 _IMP_core.ParticleType_swigregister(ParticleType)
16639 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16641 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16642 __repr__ = _swig_repr
16644 def __init__(self, f, k):
16645 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16646 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16648 def do_get_inputs(self, m, pis):
16649 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16650 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16652 def get_unary_function(self):
16653 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16654 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16657 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16658 return _IMP_core.AttributeSingletonScore_get_key(self)
16660 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16661 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"""
16662 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16664 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16665 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"""
16666 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16668 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16669 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"""
16670 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16672 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16673 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"""
16674 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16676 def get_version_info(self):
16677 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16678 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16679 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16683 return _object_cast_to_AttributeSingletonScore(o)
16686 def _get_jax(self, m, indexes):
16687 def score_float_key(jm, key, uf):
16688 return uf(jm[key][indexes])
16690 def score_xyz_key(jm, xyz_index, uf):
16691 return uf(jm[
'xyz'][indexes, xyz_index])
16693 uf = self.get_unary_function().get_derived_object()._get_jax()
16694 key = self.get_key()
16697 if key.get_index() >= 7:
16699 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16700 elif key == XYZR.get_radius_key():
16702 f = functools.partial(score_float_key, key=
'r', uf=uf)
16703 elif key
in XYZ.get_xyz_keys():
16705 xyz_index = XYZ.get_xyz_keys().index(key)
16706 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16708 raise NotImplementedError(
"No support for key %s" % key)
16709 return self._wrap_jax(m, f, keys=need_keys)
16713 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16716 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16717 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16719 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16722 __repr__ = _swig_repr
16724 def __init__(self, f, bb):
16725 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16726 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16728 def get_unary_function(self):
16729 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16730 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16733 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16734 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16736 def do_get_inputs(self, m, pis):
16737 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16738 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16740 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16741 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"""
16742 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16744 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16745 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"""
16746 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16748 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16749 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"""
16750 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16752 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16753 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"""
16754 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16756 def get_version_info(self):
16757 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16758 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16759 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16763 return _object_cast_to_BoundingBox3DSingletonScore(o)
16766 def _get_jax(self, m, indexes):
16767 import jax.numpy
as jnp
16768 def score(jm, box_min, box_max, uf):
16769 xyzs = jm[
'xyz'][indexes]
16776 drs = jnp.linalg.norm(
16777 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16779 uf = self.get_unary_function().get_derived_object()
16780 bb = self.get_bounding_box()
16781 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16782 box_max=jnp.asarray(bb.get_corner(1)),
16784 return self._wrap_jax(m, f)
16788 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16790 def create_bounding_box_3d_singleton_score(f, bb):
16791 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16792 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16794 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16796 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16797 __repr__ = _swig_repr
16799 def __init__(self, f, sphere):
16800 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16801 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16803 def do_get_inputs(self, m, pis):
16804 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16805 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16807 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16808 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"""
16809 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16811 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16812 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"""
16813 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16815 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16816 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"""
16817 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16819 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16820 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"""
16821 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16823 def get_version_info(self):
16824 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16825 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16826 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16830 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16834 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16836 def create_bounding_sphere_3d_singleton_score(f, sphere):
16837 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16838 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16840 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16842 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16843 __repr__ = _swig_repr
16845 def __init__(self, *args):
16847 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16848 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16850 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16852 def do_get_inputs(self, m, pis):
16853 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16854 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16856 def get_unary_function(self):
16857 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16858 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
16860 def get_point(self):
16861 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
16862 return _IMP_core.DistanceToSingletonScore_get_point(self)
16864 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16865 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"""
16866 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16868 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16869 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"""
16870 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16872 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16873 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"""
16874 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16876 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16877 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"""
16878 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16880 def get_version_info(self):
16881 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
16882 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
16883 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
16887 return _object_cast_to_DistanceToSingletonScore(o)
16890 def _get_as_binary(self):
16891 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
16892 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
16894 def _set_from_binary(self, p):
16895 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
16896 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
16898 def __getstate__(self):
16899 p = self._get_as_binary()
16900 if len(self.__dict__) > 1:
16901 d = self.__dict__.copy()
16906 def __setstate__(self, p):
16907 if not hasattr(self,
'this'):
16909 if isinstance(p, tuple):
16911 self.__dict__.update(d)
16912 return self._set_from_binary(p)
16915 def _get_jax(self, m, indexes):
16916 import jax.numpy
as jnp
16917 def score(jm, point, uf):
16918 xyzs = jm[
'xyz'][indexes]
16919 drs = jnp.linalg.norm(xyzs - point, axis=1)
16921 uf = self.get_unary_function().get_derived_object()
16922 f = functools.partial(score, point=jnp.array(self.get_point()),
16924 return self._wrap_jax(m, f)
16928 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
16930 def create_distance_to_singleton_score(f, pt):
16931 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
16932 return _IMP_core.create_distance_to_singleton_score(f, pt)
16934 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
16935 def __init__(self, uf):
16936 if isinstance(uf, HarmonicUpperBound):
16937 p = HarmonicUpperBoundSphereDistancePairScore(
16938 uf.get_mean(), uf.get_k())
16939 elif isinstance(uf, HarmonicLowerBound):
16940 if uf.get_mean() == 0.0:
16941 p = SoftSpherePairScore(uf.get_k())
16943 p = _SphereDistancePairScore(uf)
16944 elif isinstance(uf, Harmonic):
16945 p = HarmonicSphereDistancePairScore(
16946 uf.get_mean(), uf.get_k())
16948 p = _SphereDistancePairScore(uf)
16949 self.__dict__[
'_proxied'] = p
16950 def __getattr__(self, key):
16951 return getattr(self._proxied, key)
16952 def __setattr__(self, key, val):
16953 return setattr(self._proxied, key, val)
16955 def __getstate__(self):
16956 return self.__dict__[
'_proxied']
16958 def __setstate__(self, p):
16959 self.__dict__[
'_proxied'] = p
16961 def _get_jax(self, *args, **kwargs):
16962 return self._proxied._get_jax(*args, **kwargs)
16967 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
16970 p = HarmonicSphereDistancePairScore.get_from(o)
16973 p = SoftSpherePairScore.get_from(o)
16975 p = _SphereDistancePairScore.get_from(o)
16976 obj = object.__new__(SphereDistancePairScore)
16977 obj.__dict__[
'_proxied'] = p
16983 CombineProvenance, FilterProvenance,
16984 ClusterProvenance, ScriptProvenance,
16985 SoftwareProvenance]):
16986 """Yield all provenance decorators of the given types for the particle.
16987 By default, all provenance types are returned. Provenance is returned
16988 in order, most recent first. If the particle has no provenance
16989 information, an empty generator is returned."""
16990 if Provenanced.get_is_setup(p):
16994 if c.get_is_setup(prov):
16996 prov = prov.get_previous()
16999 """Tag the given particle with the current Python script.
17000 This is a noop if the particle is already so tagged."""
17001 main = sys.modules[
'__main__']
17003 if not hasattr(main,
'__file__'):
17007 if prov.get_filename() == f:
17011 provp.set_name(
'script')
17012 prov = ScriptProvenance.setup_particle(provp, f)
17016 """Tag the given particle with the software used to create it.
17017 This is a noop if the particle is already so tagged."""
17019 if prov.get_software_name() == name
and prov.get_version() == version \
17020 and prov.get_location() == location:
17024 provp.set_name(
'software')
17025 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17029 """Tag the given particle as being created by the current version of IMP."""
17032 location=
"https://integrativemodeling.org")
17035 def get_module_name():
17036 r"""get_module_name() -> std::string const"""
17037 return _IMP_core.get_module_name()
17040 r"""get_module_version() -> std::string const"""
17041 return _IMP_core.get_module_version()
17044 r"""get_example_path(std::string fname) -> std::string"""
17045 return _IMP_core.get_example_path(fname)
17048 r"""get_data_path(std::string fname) -> std::string"""
17049 return _IMP_core.get_data_path(fname)
17051 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
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.
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.