14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_CORE_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
77 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
78 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
81 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
82 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
86 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
94 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
98 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
101 r"""next(IMP_CORE_SwigPyIterator self) -> PyObject *"""
102 return _IMP_core.IMP_CORE_SwigPyIterator_next(self)
105 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
106 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
109 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
110 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
114 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
118 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
122 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
126 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
130 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
134 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
139 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
146 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
153 IMP_DEBUG = _IMP_core.IMP_DEBUG
155 IMP_RELEASE = _IMP_core.IMP_RELEASE
157 IMP_SILENT = _IMP_core.IMP_SILENT
159 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
161 IMP_TERSE = _IMP_core.IMP_TERSE
163 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
165 IMP_MEMORY = _IMP_core.IMP_MEMORY
167 IMP_NONE = _IMP_core.IMP_NONE
169 IMP_USAGE = _IMP_core.IMP_USAGE
171 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_core._ostream_write(self, osa_buf)
238 _IMP_core._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
304 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
306 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
308 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
310 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
312 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
314 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
316 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
318 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
321 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
324 __repr__ = _swig_repr
326 def __init__(self, *args):
327 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
328 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
330 def get_version_info(self):
331 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
332 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
333 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
336 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
338 _object_types.append(
"MonteCarloMover")
341 def _object_cast_to_MonteCarloMover(o):
342 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
343 return _IMP_core._object_cast_to_MonteCarloMover(o)
345 MonteCarloMoverResults=list
346 _plural_types.append(
"MonteCarloMoverResults")
347 _value_types.append(
"MonteCarloMoverResult")
350 _object_types.append(
"AngleRestraint")
353 def _object_cast_to_AngleRestraint(o):
354 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
355 return _IMP_core._object_cast_to_AngleRestraint(o)
357 _object_types.append(
"AngleTripletScore")
360 def _object_cast_to_AngleTripletScore(o):
361 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
362 return _IMP_core._object_cast_to_AngleTripletScore(o)
364 _object_types.append(
"AttributeSingletonScore")
367 def _object_cast_to_AttributeSingletonScore(o):
368 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
369 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
371 _object_types.append(
"BallMover")
374 def _object_cast_to_BallMover(o):
375 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
376 return _IMP_core._object_cast_to_BallMover(o)
378 _object_types.append(
"SerialMover")
381 def _object_cast_to_SerialMover(o):
382 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
383 return _IMP_core._object_cast_to_SerialMover(o)
385 _object_types.append(
"SubsetMover")
388 def _object_cast_to_SubsetMover(o):
389 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
390 return _IMP_core._object_cast_to_SubsetMover(o)
392 _object_types.append(
"DirectionMover")
395 def _object_cast_to_DirectionMover(o):
396 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
397 return _IMP_core._object_cast_to_DirectionMover(o)
399 _object_types.append(
"SurfaceMover")
402 def _object_cast_to_SurfaceMover(o):
403 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
404 return _IMP_core._object_cast_to_SurfaceMover(o)
406 _object_types.append(
"BoundingBox3DSingletonScore")
409 def _object_cast_to_BoundingBox3DSingletonScore(o):
410 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
411 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
413 _object_types.append(
"BoundingSphere3DSingletonScore")
416 def _object_cast_to_BoundingSphere3DSingletonScore(o):
417 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
418 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
420 _object_types.append(
"BoxSweepClosePairsFinder")
423 def _object_cast_to_BoxSweepClosePairsFinder(o):
424 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
425 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
427 _object_types.append(
"NearestNeighborsClosePairsFinder")
430 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
431 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
432 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
434 _object_types.append(
"CentroidOfRefined")
437 def _object_cast_to_CentroidOfRefined(o):
438 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
439 return _IMP_core._object_cast_to_CentroidOfRefined(o)
441 _object_types.append(
"ChecksScoreState")
444 def _object_cast_to_ChecksScoreState(o):
445 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
446 return _IMP_core._object_cast_to_ChecksScoreState(o)
448 _object_types.append(
"ChildrenRefiner")
451 def _object_cast_to_ChildrenRefiner(o):
452 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
453 return _IMP_core._object_cast_to_ChildrenRefiner(o)
455 _object_types.append(
"ClosePairsFinder")
458 def _object_cast_to_ClosePairsFinder(o):
459 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
460 return _IMP_core._object_cast_to_ClosePairsFinder(o)
462 _object_types.append(
"ClosePairsPairScore")
465 def _object_cast_to_ClosePairsPairScore(o):
466 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
467 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
469 _object_types.append(
"ClosedCubicSpline")
472 def _object_cast_to_ClosedCubicSpline(o):
473 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
474 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
476 _object_types.append(
"ConjugateGradients")
479 def _object_cast_to_ConjugateGradients(o):
480 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
481 return _IMP_core._object_cast_to_ConjugateGradients(o)
483 _object_types.append(
"ConnectivityRestraint")
486 def _object_cast_to_ConnectivityRestraint(o):
487 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
488 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
490 _object_types.append(
"ConstantRestraint")
493 def _object_cast_to_ConstantRestraint(o):
494 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
495 return _IMP_core._object_cast_to_ConstantRestraint(o)
497 _object_types.append(
"Cosine")
500 def _object_cast_to_Cosine(o):
501 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
502 return _IMP_core._object_cast_to_Cosine(o)
504 _object_types.append(
"CoverRefined")
507 def _object_cast_to_CoverRefined(o):
508 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
509 return _IMP_core._object_cast_to_CoverRefined(o)
511 _object_types.append(
"DerivativesFromRefined")
514 def _object_cast_to_DerivativesFromRefined(o):
515 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
516 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
518 _object_types.append(
"DerivativesToRefined")
521 def _object_cast_to_DerivativesToRefined(o):
522 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
523 return _IMP_core._object_cast_to_DerivativesToRefined(o)
525 _object_types.append(
"WeightedDerivativesToRefined")
528 def _object_cast_to_WeightedDerivativesToRefined(o):
529 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
530 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
532 _object_types.append(
"DiameterRestraint")
535 def _object_cast_to_DiameterRestraint(o):
536 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
537 return _IMP_core._object_cast_to_DiameterRestraint(o)
539 _object_types.append(
"DihedralRestraint")
542 def _object_cast_to_DihedralRestraint(o):
543 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
544 return _IMP_core._object_cast_to_DihedralRestraint(o)
546 _object_types.append(
"DistanceRestraint")
549 def _object_cast_to_DistanceRestraint(o):
550 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
551 return _IMP_core._object_cast_to_DistanceRestraint(o)
553 _object_types.append(
"DistanceToSingletonScore")
556 def _object_cast_to_DistanceToSingletonScore(o):
557 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
558 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
560 _object_types.append(
"ExcludedVolumeRestraint")
563 def _object_cast_to_ExcludedVolumeRestraint(o):
564 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
565 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
567 _object_types.append(
"FixedRefiner")
570 def _object_cast_to_FixedRefiner(o):
571 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
572 return _IMP_core._object_cast_to_FixedRefiner(o)
574 _object_types.append(
"GridClosePairsFinder")
577 def _object_cast_to_GridClosePairsFinder(o):
578 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
579 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
581 _object_types.append(
"Harmonic")
584 def _object_cast_to_Harmonic(o):
585 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
586 return _IMP_core._object_cast_to_Harmonic(o)
588 _object_types.append(
"HarmonicWell")
591 def _object_cast_to_HarmonicWell(o):
592 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
593 return _IMP_core._object_cast_to_HarmonicWell(o)
595 _object_types.append(
"HarmonicLowerBound")
598 def _object_cast_to_HarmonicLowerBound(o):
599 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
600 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
602 _object_types.append(
"HarmonicUpperBound")
605 def _object_cast_to_HarmonicUpperBound(o):
606 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
607 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
609 _object_types.append(
"HarmonicSphereDistancePairScore")
612 def _object_cast_to_HarmonicSphereDistancePairScore(o):
613 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
614 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
616 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
619 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
620 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
621 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
623 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
626 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
627 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
628 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
630 _object_types.append(
"HarmonicSurfaceDistancePairScore")
633 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
634 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
635 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
637 _object_types.append(
"HarmonicSurfaceHeightPairScore")
640 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
641 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
642 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
644 _object_types.append(
"HarmonicSurfaceDepthPairScore")
647 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
648 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
649 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
651 _object_types.append(
"WeightedSum")
654 def _object_cast_to_WeightedSum(o):
655 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
656 return _IMP_core._object_cast_to_WeightedSum(o)
658 _object_types.append(
"WeightedSumOfExponential")
661 def _object_cast_to_WeightedSumOfExponential(o):
662 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
663 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
665 _object_types.append(
"KClosePairsPairScore")
668 def _object_cast_to_KClosePairsPairScore(o):
669 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
670 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
672 _object_types.append(
"LeavesRefiner")
675 def _object_cast_to_LeavesRefiner(o):
676 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
677 return _IMP_core._object_cast_to_LeavesRefiner(o)
679 _object_types.append(
"Linear")
682 def _object_cast_to_Linear(o):
683 r"""_object_cast_to_Linear(Object o) -> Linear"""
684 return _IMP_core._object_cast_to_Linear(o)
686 _object_types.append(
"LogNormalMover")
689 def _object_cast_to_LogNormalMover(o):
690 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
691 return _IMP_core._object_cast_to_LogNormalMover(o)
693 _object_types.append(
"MCCGSampler")
696 def _object_cast_to_MCCGSampler(o):
697 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
698 return _IMP_core._object_cast_to_MCCGSampler(o)
700 _object_types.append(
"MonteCarlo")
703 def _object_cast_to_MonteCarlo(o):
704 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
705 return _IMP_core._object_cast_to_MonteCarlo(o)
707 _object_types.append(
"MonteCarloWithLocalOptimization")
710 def _object_cast_to_MonteCarloWithLocalOptimization(o):
711 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
712 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
714 _object_types.append(
"MonteCarloWithBasinHopping")
717 def _object_cast_to_MonteCarloWithBasinHopping(o):
718 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
719 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
721 _object_types.append(
"MSConnectivityRestraint")
724 def _object_cast_to_MSConnectivityRestraint(o):
725 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
726 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
728 _object_types.append(
"NeighborsTable")
731 def _object_cast_to_NeighborsTable(o):
732 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
733 return _IMP_core._object_cast_to_NeighborsTable(o)
735 _object_types.append(
"NormalMover")
738 def _object_cast_to_NormalMover(o):
739 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
740 return _IMP_core._object_cast_to_NormalMover(o)
742 _object_types.append(
"NormalizedSphereDistancePairScore")
745 def _object_cast_to_NormalizedSphereDistancePairScore(o):
746 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
747 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
749 _object_types.append(
"OpenCubicSpline")
752 def _object_cast_to_OpenCubicSpline(o):
753 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
754 return _IMP_core._object_cast_to_OpenCubicSpline(o)
756 _object_types.append(
"PairConstraint")
759 def _object_cast_to_PairConstraint(o):
760 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
761 return _IMP_core._object_cast_to_PairConstraint(o)
763 _object_types.append(
"PairRestraint")
766 def _object_cast_to_PairRestraint(o):
767 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
768 return _IMP_core._object_cast_to_PairRestraint(o)
770 _object_types.append(
"QuadConstraint")
773 def _object_cast_to_QuadConstraint(o):
774 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
775 return _IMP_core._object_cast_to_QuadConstraint(o)
777 _object_types.append(
"QuadRestraint")
780 def _object_cast_to_QuadRestraint(o):
781 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
782 return _IMP_core._object_cast_to_QuadRestraint(o)
784 _object_types.append(
"QuadraticClosePairsFinder")
787 def _object_cast_to_QuadraticClosePairsFinder(o):
788 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
789 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
791 _object_types.append(
"RefinedPairsPairScore")
794 def _object_cast_to_RefinedPairsPairScore(o):
795 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
796 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
798 _object_types.append(
"RestraintsScoringFunction")
801 def _object_cast_to_RestraintsScoringFunction(o):
802 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
803 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
805 _object_types.append(
"RigidBodyDistancePairScore")
808 def _object_cast_to_RigidBodyDistancePairScore(o):
809 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
810 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
812 _object_types.append(
"RigidBodyAnglePairScore")
815 def _object_cast_to_RigidBodyAnglePairScore(o):
816 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
817 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
819 _object_types.append(
"RigidBodyMover")
822 def _object_cast_to_RigidBodyMover(o):
823 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
824 return _IMP_core._object_cast_to_RigidBodyMover(o)
826 _object_types.append(
"RigidBodyTunneler")
829 def _object_cast_to_RigidBodyTunneler(o):
830 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
831 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
833 _object_types.append(
"RigidBodyUmbrella")
836 def _object_cast_to_RigidBodyUmbrella(o):
837 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
838 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
840 _object_types.append(
"RigidClosePairsFinder")
843 def _object_cast_to_RigidClosePairsFinder(o):
844 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
845 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
847 _object_types.append(
"RigidMembersRefiner")
850 def _object_cast_to_RigidMembersRefiner(o):
851 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
852 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
854 _object_types.append(
"SingletonConstraint")
857 def _object_cast_to_SingletonConstraint(o):
858 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
859 return _IMP_core._object_cast_to_SingletonConstraint(o)
861 _object_types.append(
"SingletonRestraint")
864 def _object_cast_to_SingletonRestraint(o):
865 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
866 return _IMP_core._object_cast_to_SingletonRestraint(o)
868 _object_types.append(
"SoftSpherePairScore")
871 def _object_cast_to_SoftSpherePairScore(o):
872 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
873 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
875 _object_types.append(
"_SphereDistancePairScore")
878 def _object_cast_to__SphereDistancePairScore(o):
879 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
880 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
882 _object_types.append(
"SphereDistanceToSingletonScore")
885 def _object_cast_to_SphereDistanceToSingletonScore(o):
886 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
887 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
889 _object_types.append(
"SoftSubSurfacePairScore")
892 def _object_cast_to_SoftSubSurfacePairScore(o):
893 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
894 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
896 _object_types.append(
"SoftSuperSurfacePairScore")
899 def _object_cast_to_SoftSuperSurfacePairScore(o):
900 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
901 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
903 _object_types.append(
"SurfaceDistancePairScore")
906 def _object_cast_to_SurfaceDistancePairScore(o):
907 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
908 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
910 _object_types.append(
"SurfaceHeightPairScore")
913 def _object_cast_to_SurfaceHeightPairScore(o):
914 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
915 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
917 _object_types.append(
"SurfaceDepthPairScore")
920 def _object_cast_to_SurfaceDepthPairScore(o):
921 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
922 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
924 _object_types.append(
"SurfaceTetheredChain")
927 def _object_cast_to_SurfaceTetheredChain(o):
928 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
929 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
931 _object_types.append(
"SurfaceSymmetryConstraint")
934 def _object_cast_to_SurfaceSymmetryConstraint(o):
935 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
936 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
938 _object_types.append(
"SteepestDescent")
941 def _object_cast_to_SteepestDescent(o):
942 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
943 return _IMP_core._object_cast_to_SteepestDescent(o)
945 _object_types.append(
"TableRefiner")
948 def _object_cast_to_TableRefiner(o):
949 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
950 return _IMP_core._object_cast_to_TableRefiner(o)
952 _object_types.append(
"Transform")
955 def _object_cast_to_Transform(o):
956 r"""_object_cast_to_Transform(Object o) -> Transform"""
957 return _IMP_core._object_cast_to_Transform(o)
959 _object_types.append(
"TransformationAndReflectionSymmetry")
962 def _object_cast_to_TransformationAndReflectionSymmetry(o):
963 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
964 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
966 _object_types.append(
"TransformationSymmetry")
969 def _object_cast_to_TransformationSymmetry(o):
970 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
971 return _IMP_core._object_cast_to_TransformationSymmetry(o)
973 _object_types.append(
"TransformationSymmetryMover")
976 def _object_cast_to_TransformationSymmetryMover(o):
977 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
978 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
980 _object_types.append(
"TransformedDistancePairScore")
983 def _object_cast_to_TransformedDistancePairScore(o):
984 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
985 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
987 _object_types.append(
"TripletConstraint")
990 def _object_cast_to_TripletConstraint(o):
991 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
992 return _IMP_core._object_cast_to_TripletConstraint(o)
994 _object_types.append(
"TripletRestraint")
997 def _object_cast_to_TripletRestraint(o):
998 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
999 return _IMP_core._object_cast_to_TripletRestraint(o)
1001 _object_types.append(
"TypedPairScore")
1004 def _object_cast_to_TypedPairScore(o):
1005 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1006 return _IMP_core._object_cast_to_TypedPairScore(o)
1008 _object_types.append(
"VolumeRestraint")
1011 def _object_cast_to_VolumeRestraint(o):
1012 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1013 return _IMP_core._object_cast_to_VolumeRestraint(o)
1015 _object_types.append(
"WeightedSphereDistancePairScore")
1018 def _object_cast_to_WeightedSphereDistancePairScore(o):
1019 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1020 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1022 _object_types.append(
"MoveStatisticsScoreState")
1025 def _object_cast_to_MoveStatisticsScoreState(o):
1026 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1027 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1029 _object_types.append(
"MinimumRestraint")
1032 def _object_cast_to_MinimumRestraint(o):
1033 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1034 return _IMP_core._object_cast_to_MinimumRestraint(o)
1036 _object_types.append(
"WriteRestraintScoresOptimizerState")
1039 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1040 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1041 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1043 _object_types.append(
"LateralSurfaceConstraint")
1046 def _object_cast_to_LateralSurfaceConstraint(o):
1047 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1048 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1050 _object_types.append(
"ConstantSingletonPredicate")
1053 def _object_cast_to_ConstantSingletonPredicate(o):
1054 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1055 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1057 _object_types.append(
"ConstantPairPredicate")
1060 def _object_cast_to_ConstantPairPredicate(o):
1061 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1062 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1064 _object_types.append(
"ConstantTripletPredicate")
1067 def _object_cast_to_ConstantTripletPredicate(o):
1068 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1069 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1071 _object_types.append(
"ConstantQuadPredicate")
1074 def _object_cast_to_ConstantQuadPredicate(o):
1075 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1076 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1078 _object_types.append(
"CoinFlipSingletonPredicate")
1081 def _object_cast_to_CoinFlipSingletonPredicate(o):
1082 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1083 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1085 _object_types.append(
"CoinFlipPairPredicate")
1088 def _object_cast_to_CoinFlipPairPredicate(o):
1089 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1090 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1092 _object_types.append(
"CoinFlipTripletPredicate")
1095 def _object_cast_to_CoinFlipTripletPredicate(o):
1096 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1097 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1099 _object_types.append(
"CoinFlipQuadPredicate")
1102 def _object_cast_to_CoinFlipQuadPredicate(o):
1103 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1104 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1106 _object_types.append(
"UnorderedTypeSingletonPredicate")
1109 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1110 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1111 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1113 _object_types.append(
"UnorderedTypePairPredicate")
1116 def _object_cast_to_UnorderedTypePairPredicate(o):
1117 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1118 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1120 _object_types.append(
"UnorderedTypeTripletPredicate")
1123 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1124 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1125 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1127 _object_types.append(
"UnorderedTypeQuadPredicate")
1130 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1131 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1132 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1134 _object_types.append(
"OrderedTypeSingletonPredicate")
1137 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1138 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1139 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1141 _object_types.append(
"OrderedTypePairPredicate")
1144 def _object_cast_to_OrderedTypePairPredicate(o):
1145 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1146 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1148 _object_types.append(
"OrderedTypeTripletPredicate")
1151 def _object_cast_to_OrderedTypeTripletPredicate(o):
1152 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1153 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1155 _object_types.append(
"OrderedTypeQuadPredicate")
1158 def _object_cast_to_OrderedTypeQuadPredicate(o):
1159 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1160 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1162 _object_types.append(
"AllSameSingletonPredicate")
1165 def _object_cast_to_AllSameSingletonPredicate(o):
1166 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1167 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1169 _object_types.append(
"AllSamePairPredicate")
1172 def _object_cast_to_AllSamePairPredicate(o):
1173 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1174 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1176 _object_types.append(
"AllSameTripletPredicate")
1179 def _object_cast_to_AllSameTripletPredicate(o):
1180 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1181 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1183 _object_types.append(
"AllSameQuadPredicate")
1186 def _object_cast_to_AllSameQuadPredicate(o):
1187 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1188 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1191 return [XYZ(x)
for x
in l]
1192 _plural_types.append(
"XYZs")
1195 _value_types.append(
"XYZ")
1199 return [XYZR(x)
for x
in l]
1200 _plural_types.append(
"XYZRs")
1203 _value_types.append(
"XYZR")
1206 def RigidBodies(l=[]):
1207 return [RigidBody(x)
for x
in l]
1208 _plural_types.append(
"RigidBodies")
1211 _value_types.append(
"RigidBody")
1214 def RigidBodyMembers(l=[]):
1215 return [RigidBodyMember(x)
for x
in l]
1216 _plural_types.append(
"RigidBodyMembers")
1219 _value_types.append(
"RigidBodyMember")
1222 def RigidMembers(l=[]):
1223 return [RigidMember(x)
for x
in l]
1224 _plural_types.append(
"RigidMembers")
1227 _value_types.append(
"RigidMember")
1230 def NonRigidMembers(l=[]):
1231 return [NonRigidMember(x)
for x
in l]
1232 _plural_types.append(
"NonRigidMembers")
1235 _value_types.append(
"NonRigidMember")
1238 def Centroids(l=[]):
1239 return [Centroid(x)
for x
in l]
1240 _plural_types.append(
"Centroids")
1243 _value_types.append(
"Centroid")
1247 return [Cover(x)
for x
in l]
1248 _plural_types.append(
"Covers")
1251 _value_types.append(
"Cover")
1254 def References(l=[]):
1255 return [Reference(x)
for x
in l]
1256 _plural_types.append(
"References")
1259 _value_types.append(
"Reference")
1263 _plural_types.append(
"ParticleTypes")
1264 _value_types.append(
"ParticleType")
1268 return [Typed(x)
for x
in l]
1269 _plural_types.append(
"Typeds")
1272 _value_types.append(
"Typed")
1275 def GenericHierarchies(l=[]):
1276 return [Hierarchy(x)
for x
in l]
1277 _plural_types.append(
"GenericHierarchies")
1280 _value_types.append(
"Hierarchy")
1283 def Gaussians(l=[]):
1284 return [Gaussian(x)
for x
in l]
1285 _plural_types.append(
"Gaussians")
1288 _value_types.append(
"Gaussian")
1291 def Directions(l=[]):
1292 return [Direction(x)
for x
in l]
1293 _plural_types.append(
"Directions")
1296 _value_types.append(
"Direction")
1299 def DirectionAngles(l=[]):
1300 return [DirectionAngle(x)
for x
in l]
1301 _plural_types.append(
"DirectionAngles")
1304 _value_types.append(
"DirectionAngle")
1308 return [Surface(x)
for x
in l]
1309 _plural_types.append(
"Surfaces")
1312 _value_types.append(
"Surface")
1315 def Provenances(l=[]):
1316 return [Provenance(x)
for x
in l]
1317 _plural_types.append(
"Provenances")
1320 _value_types.append(
"Provenance")
1323 def StructureProvenances(l=[]):
1324 return [StructureProvenance(x)
for x
in l]
1325 _plural_types.append(
"StructureProvenances")
1328 _value_types.append(
"StructureProvenance")
1331 def SampleProvenances(l=[]):
1332 return [SampleProvenance(x)
for x
in l]
1333 _plural_types.append(
"SampleProvenances")
1336 _value_types.append(
"SampleProvenance")
1339 def ClusterProvenances(l=[]):
1340 return [ClusterProvenance(x)
for x
in l]
1341 _plural_types.append(
"ClusterProvenances")
1344 _value_types.append(
"ClusterProvenance")
1347 def CombineProvenances(l=[]):
1348 return [CombineProvenance(x)
for x
in l]
1349 _plural_types.append(
"CombineProvenances")
1352 _value_types.append(
"CombineProvenance")
1355 def FilterProvenances(l=[]):
1356 return [FilterProvenance(x)
for x
in l]
1357 _plural_types.append(
"FilterProvenances")
1360 _value_types.append(
"FilterProvenance")
1363 def ScriptProvenances(l=[]):
1364 return [ScriptProvenance(x)
for x
in l]
1365 _plural_types.append(
"ScriptProvenances")
1368 _value_types.append(
"ScriptProvenance")
1371 def SoftwareProvenances(l=[]):
1372 return [SoftwareProvenance(x)
for x
in l]
1373 _plural_types.append(
"SoftwareProvenances")
1376 _value_types.append(
"SoftwareProvenance")
1379 def Provenanceds(l=[]):
1380 return [Provenanced(x)
for x
in l]
1381 _plural_types.append(
"Provenanceds")
1384 _value_types.append(
"Provenanced")
1387 HierarchyCounters=list
1388 _plural_types.append(
"HierarchyCounters")
1389 _value_types.append(
"HierarchyCounter")
1392 HierarchyTraitsList=list
1393 _plural_types.append(
"HierarchyTraitsList")
1394 _value_types.append(
"HierarchyTraits")
1397 _object_types.append(
"TruncatedHarmonicBound")
1400 def _object_cast_to_TruncatedHarmonicBound(o):
1401 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1402 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1404 _object_types.append(
"TruncatedHarmonicLowerBound")
1407 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1408 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1409 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1411 _object_types.append(
"TruncatedHarmonicUpperBound")
1414 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1415 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1416 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1418 _object_types.append(
"HarmonicDistancePairScore")
1421 def _object_cast_to_HarmonicDistancePairScore(o):
1422 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1423 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1425 _object_types.append(
"DistancePairScore")
1428 def _object_cast_to_DistancePairScore(o):
1429 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1430 return _IMP_core._object_cast_to_DistancePairScore(o)
1432 _object_types.append(
"XYZRGeometry")
1435 def _object_cast_to_XYZRGeometry(o):
1436 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1437 return _IMP_core._object_cast_to_XYZRGeometry(o)
1439 _object_types.append(
"XYZRsGeometry")
1442 def _object_cast_to_XYZRsGeometry(o):
1443 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1444 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1446 _object_types.append(
"XYZDerivativeGeometry")
1449 def _object_cast_to_XYZDerivativeGeometry(o):
1450 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1451 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1453 _object_types.append(
"XYZDerivativesGeometry")
1456 def _object_cast_to_XYZDerivativesGeometry(o):
1457 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1458 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1460 _object_types.append(
"RigidBodyDerivativeGeometry")
1463 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1464 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1465 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1467 _object_types.append(
"RigidBodyDerivativesGeometry")
1470 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1471 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1472 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1474 _object_types.append(
"RigidBodyHierarchyGeometry")
1477 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1478 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1479 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1481 _object_types.append(
"RigidBodyFrameGeometry")
1484 def _object_cast_to_RigidBodyFrameGeometry(o):
1485 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1486 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1488 _object_types.append(
"RigidBodyFramesGeometry")
1491 def _object_cast_to_RigidBodyFramesGeometry(o):
1492 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1493 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1495 _object_types.append(
"RigidBodyTorque")
1498 def _object_cast_to_RigidBodyTorque(o):
1499 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1500 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1502 _object_types.append(
"EdgePairGeometry")
1505 def _object_cast_to_EdgePairGeometry(o):
1506 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1507 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1509 _object_types.append(
"EdgePairsGeometry")
1512 def _object_cast_to_EdgePairsGeometry(o):
1513 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1514 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1516 _object_types.append(
"SurfaceGeometry")
1519 def _object_cast_to_SurfaceGeometry(o):
1520 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1521 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1523 _object_types.append(
"SurfaceGeometryConstraint")
1526 def _object_cast_to_SurfaceGeometryConstraint(o):
1527 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1528 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1530 _object_types.append(
"AttributeSingletonPredicate")
1533 def _object_cast_to_AttributeSingletonPredicate(o):
1534 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1535 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1537 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1540 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1541 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1542 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1544 _object_types.append(
"IsCollisionPairPredicate")
1547 def _object_cast_to_IsCollisionPairPredicate(o):
1548 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1549 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1551 BinormalTermList=list
1552 _plural_types.append(
"BinormalTermList")
1553 _value_types.append(
"BinormalTerm")
1556 _object_types.append(
"MultipleBinormalRestraint")
1559 def _object_cast_to_MultipleBinormalRestraint(o):
1560 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1561 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1562 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1563 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1565 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1567 def __init__(self, *args, **kwargs):
1568 raise AttributeError(
"No constructor defined - class is abstract")
1569 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1571 def get_close_pairs(self, *args):
1573 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1574 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1575 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1576 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1578 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1580 def set_distance(self, d):
1581 r"""set_distance(ClosePairsFinder self, double d)"""
1582 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1585 r"""get_distance(ClosePairsFinder self) -> double"""
1586 return _IMP_core.ClosePairsFinder_get_distance(self)
1587 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)
1588 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1589 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1590 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1592 def remove_pair_filter(self, d):
1593 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1594 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1596 def _python_index_pair_filter(self, d, start, stop):
1597 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1598 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1600 def remove_pair_filters(self, d):
1601 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1602 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1604 def set_pair_filters(self, ps):
1605 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1606 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1608 def set_pair_filters_order(self, objs):
1609 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1610 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1612 def add_pair_filter(self, obj):
1613 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1614 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1616 def add_pair_filters(self, objs):
1617 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1618 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1620 def clear_pair_filters(self):
1621 r"""clear_pair_filters(ClosePairsFinder self)"""
1622 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1624 def get_number_of_pair_filters(self):
1625 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1626 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1628 def get_has_pair_filters(self):
1629 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1630 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1632 def get_pair_filter(self, i):
1633 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1634 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1636 def get_pair_filters(self):
1637 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1638 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1640 def erase_pair_filter(self, i):
1641 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1642 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1644 def reserve_pair_filters(self, sz):
1645 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1646 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1649 r"""__str__(ClosePairsFinder self) -> std::string"""
1650 return _IMP_core.ClosePairsFinder___str__(self)
1653 r"""__repr__(ClosePairsFinder self) -> std::string"""
1654 return _IMP_core.ClosePairsFinder___repr__(self)
1658 return _object_cast_to_ClosePairsFinder(o)
1662 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1663 class MonteCarloMoverResult(IMP._Value):
1664 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1668 def __init__(self, *args):
1669 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1670 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1673 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1674 return _IMP_core.MonteCarloMoverResult___hash__(self)
1676 def show(self, *args):
1677 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1678 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1680 def __cmp__(self, o):
1681 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1682 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1684 def __eq__(self, o):
1685 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1686 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1688 def __ne__(self, o):
1689 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1690 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1692 def __lt__(self, o):
1693 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1694 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1696 def __gt__(self, o):
1697 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1698 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1700 def __ge__(self, o):
1701 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1702 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1704 def __le__(self, o):
1705 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1706 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1708 def get_moved_particles(self):
1709 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1710 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1712 def set_moved_particles(self, v):
1713 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1714 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1716 def get_proposal_ratio(self):
1717 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1718 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1720 def set_proposal_ratio(self, v):
1721 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1722 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1725 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1726 return _IMP_core.MonteCarloMoverResult___str__(self)
1729 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1730 return _IMP_core.MonteCarloMoverResult___repr__(self)
1731 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1734 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1736 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1740 def __init__(self, *args):
1742 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1743 __init__(MonteCarloMover self) -> MonteCarloMover
1745 if self.__class__ == MonteCarloMover:
1749 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1751 if self.__class__ != MonteCarloMover:
1752 _director_objects.register(self)
1758 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1759 return _IMP_core.MonteCarloMover_propose(self)
1762 r"""reject(MonteCarloMover self)"""
1763 return _IMP_core.MonteCarloMover_reject(self)
1766 r"""accept(MonteCarloMover self)"""
1767 return _IMP_core.MonteCarloMover_accept(self)
1769 def get_number_of_proposed(self):
1770 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1771 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1773 def get_number_of_accepted(self):
1774 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1775 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1777 def reset_statistics(self):
1778 r"""reset_statistics(MonteCarloMover self)"""
1779 return _IMP_core.MonteCarloMover_reset_statistics(self)
1781 def do_propose(self):
1782 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1783 return _IMP_core.MonteCarloMover_do_propose(self)
1785 def do_reject(self):
1786 r"""do_reject(MonteCarloMover self)"""
1787 return _IMP_core.MonteCarloMover_do_reject(self)
1789 def do_accept(self):
1790 r"""do_accept(MonteCarloMover self)"""
1791 return _IMP_core.MonteCarloMover_do_accept(self)
1793 def do_get_outputs(self):
1794 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1795 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1798 r"""__str__(MonteCarloMover self) -> std::string"""
1799 return _IMP_core.MonteCarloMover___str__(self)
1802 r"""__repr__(MonteCarloMover self) -> std::string"""
1803 return _IMP_core.MonteCarloMover___repr__(self)
1807 return _object_cast_to_MonteCarloMover(o)
1810 def do_show(self, out):
1815 return _object_cast_to_MonteCarloMover(o)
1819 """Return a JAX implementation of this mover.
1820 Implement this method in a MonteCarloMover subclass to provide
1821 equivalent functionality using [JAX](https://docs.jax.dev/).
1822 See _wrap_jax for more information.
1824 raise NotImplementedError(f
"No JAX implementation for {self}")
1826 def _wrap_jax(self, init_func, propose_func):
1827 """Create the return value for _get_jax.
1828 Use this method in _get_jax() to wrap the JAX functions
1829 with other mover-specific information.
1831 @param init_func a JAX function which is used to initialize this
1832 mover. It is called with a single argument, a fresh JAX
1833 random key, and should return a persistent state object.
1834 This object may be the key itself, or any other Python object
1835 that JAX understands.
1836 @param propose_func a JAX function which is called with the current
1837 JAX Model and the mover's persistent state object.
1838 It should return a new JAX Model with the move applied,
1839 a new persistent state, and the proposal ratio. If the move
1840 is rejected then the new JAX Model will be discarded.
1841 However, the mover's persistent state is updated for both
1842 accepted and rejected moves.
1844 from IMP.core._jax_util
import JAXMoverInfo
1845 return JAXMoverInfo(init_func, propose_func)
1847 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1848 def __disown__(self):
1850 _IMP_core.disown_MonteCarloMover(self)
1851 return weakref.proxy(self)
1853 def do_destroy(self):
1854 r"""do_destroy(MonteCarloMover self)"""
1855 return _IMP_core.MonteCarloMover_do_destroy(self)
1857 def handle_set_has_required_score_states(self, arg0):
1858 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1859 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1861 def do_get_inputs(self):
1862 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1863 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1865 def do_get_interactions(self):
1866 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1867 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1870 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1872 r"""Proxy of C++ IMP::core::XYZ class."""
1874 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1877 def get_coordinate_key(i):
1878 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1879 return _IMP_core.XYZ_get_coordinate_key(i)
1881 def __init__(self, *args):
1883 __init__(XYZ self) -> XYZ
1884 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1885 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1887 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1889 def show(self, *args):
1890 r"""show(XYZ self, _ostream out=std::cout)"""
1891 return _IMP_core.XYZ_show(self, *args)
1894 def setup_particle(*args):
1896 setup_particle(Model m, ParticleIndex pi) -> XYZ
1897 setup_particle(_ParticleAdaptor pa) -> XYZ
1898 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1899 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1901 return _IMP_core.XYZ_setup_particle(*args)
1904 r"""get_x(XYZ self) -> IMP::Float"""
1905 return _IMP_core.XYZ_get_x(self)
1908 r"""set_x(XYZ self, IMP::Float t)"""
1909 return _IMP_core.XYZ_set_x(self, t)
1912 r"""get_y(XYZ self) -> IMP::Float"""
1913 return _IMP_core.XYZ_get_y(self)
1916 r"""set_y(XYZ self, IMP::Float t)"""
1917 return _IMP_core.XYZ_set_y(self, t)
1920 r"""get_z(XYZ self) -> IMP::Float"""
1921 return _IMP_core.XYZ_get_z(self)
1924 r"""set_z(XYZ self, IMP::Float t)"""
1925 return _IMP_core.XYZ_set_z(self, t)
1927 def set_coordinate(self, i, v):
1928 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1929 return _IMP_core.XYZ_set_coordinate(self, i, v)
1931 def set_coordinates(self, v):
1932 r"""set_coordinates(XYZ self, Vector3D v)"""
1933 return _IMP_core.XYZ_set_coordinates(self, v)
1935 def get_coordinate(self, i):
1936 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1937 return _IMP_core.XYZ_get_coordinate(self, i)
1939 def add_to_derivatives(self, v, d):
1940 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1941 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1943 def get_coordinates_are_optimized(self):
1944 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1945 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1947 def set_coordinates_are_optimized(self, tf):
1948 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1949 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1951 def get_vector_to(self, b):
1952 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1953 return _IMP_core.XYZ_get_vector_to(self, b)
1955 def get_coordinates(self):
1956 r"""get_coordinates(XYZ self) -> Vector3D"""
1957 return _IMP_core.XYZ_get_coordinates(self)
1959 def get_derivatives(self):
1960 r"""get_derivatives(XYZ self) -> Vector3D"""
1961 return _IMP_core.XYZ_get_derivatives(self)
1964 def get_is_setup(*args):
1966 get_is_setup(_ParticleAdaptor p) -> bool
1967 get_is_setup(Model m, ParticleIndex pi) -> bool
1969 return _IMP_core.XYZ_get_is_setup(*args)
1973 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
1974 return _IMP_core.XYZ_get_xyz_keys()
1976 def add_attribute(self, *args):
1978 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
1979 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
1980 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
1981 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
1982 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
1983 add_attribute(XYZ self, StringKey a0, IMP::String a1)
1984 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
1985 add_attribute(XYZ self, ObjectKey a0, Object a1)
1986 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
1987 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
1988 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
1989 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
1991 return _IMP_core.XYZ_add_attribute(self, *args)
1993 def get_value(self, *args):
1995 get_value(XYZ self, FloatKey a0) -> IMP::Float
1996 get_value(XYZ self, IntKey a0) -> IMP::Int
1997 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
1998 get_value(XYZ self, IntsKey a0) -> IMP::Ints
1999 get_value(XYZ self, StringKey a0) -> IMP::String
2000 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2001 get_value(XYZ self, ObjectKey a0) -> Object
2002 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2003 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2004 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2005 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2007 return _IMP_core.XYZ_get_value(self, *args)
2009 def set_value(self, *args):
2011 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2012 set_value(XYZ self, IntKey a0, IMP::Int a1)
2013 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2014 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2015 set_value(XYZ self, StringKey a0, IMP::String a1)
2016 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2017 set_value(XYZ self, ObjectKey a0, Object a1)
2018 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2019 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2020 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2021 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2023 return _IMP_core.XYZ_set_value(self, *args)
2025 def remove_attribute(self, *args):
2027 remove_attribute(XYZ self, FloatKey a0)
2028 remove_attribute(XYZ self, IntKey a0)
2029 remove_attribute(XYZ self, FloatsKey a0)
2030 remove_attribute(XYZ self, IntsKey a0)
2031 remove_attribute(XYZ self, StringKey a0)
2032 remove_attribute(XYZ self, ParticleIndexKey a0)
2033 remove_attribute(XYZ self, ObjectKey a0)
2034 remove_attribute(XYZ self, SparseFloatKey a0)
2035 remove_attribute(XYZ self, SparseIntKey a0)
2036 remove_attribute(XYZ self, SparseStringKey a0)
2037 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2039 return _IMP_core.XYZ_remove_attribute(self, *args)
2041 def has_attribute(self, *args):
2043 has_attribute(XYZ self, FloatKey a0) -> bool
2044 has_attribute(XYZ self, IntKey a0) -> bool
2045 has_attribute(XYZ self, FloatsKey a0) -> bool
2046 has_attribute(XYZ self, IntsKey a0) -> bool
2047 has_attribute(XYZ self, StringKey a0) -> bool
2048 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2049 has_attribute(XYZ self, ObjectKey a0) -> bool
2050 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2051 has_attribute(XYZ self, SparseIntKey a0) -> bool
2052 has_attribute(XYZ self, SparseStringKey a0) -> bool
2053 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2055 return _IMP_core.XYZ_has_attribute(self, *args)
2057 def get_derivative(self, *args):
2059 get_derivative(XYZ self, int i) -> IMP::Float
2060 get_derivative(XYZ self, FloatKey a0) -> double
2062 return _IMP_core.XYZ_get_derivative(self, *args)
2065 r"""get_name(XYZ self) -> std::string"""
2066 return _IMP_core.XYZ_get_name(self)
2068 def clear_caches(self):
2069 r"""clear_caches(XYZ self)"""
2070 return _IMP_core.XYZ_clear_caches(self)
2072 def set_name(self, a0):
2073 r"""set_name(XYZ self, std::string a0)"""
2074 return _IMP_core.XYZ_set_name(self, a0)
2077 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2078 return _IMP_core.XYZ_set_check_level(self, a0)
2080 def add_to_derivative(self, *args):
2082 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2083 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2085 return _IMP_core.XYZ_add_to_derivative(self, *args)
2087 def set_is_optimized(self, a0, a1):
2088 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2089 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2091 def get_is_optimized(self, a0):
2092 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2093 return _IMP_core.XYZ_get_is_optimized(self, a0)
2096 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2097 return _IMP_core.XYZ_get_check_level(self)
2099 def __eq__(self, *args):
2101 __eq__(XYZ self, XYZ o) -> bool
2102 __eq__(XYZ self, Particle d) -> bool
2104 return _IMP_core.XYZ___eq__(self, *args)
2106 def __ne__(self, *args):
2108 __ne__(XYZ self, XYZ o) -> bool
2109 __ne__(XYZ self, Particle d) -> bool
2111 return _IMP_core.XYZ___ne__(self, *args)
2113 def __le__(self, *args):
2115 __le__(XYZ self, XYZ o) -> bool
2116 __le__(XYZ self, Particle d) -> bool
2118 return _IMP_core.XYZ___le__(self, *args)
2120 def __lt__(self, *args):
2122 __lt__(XYZ self, XYZ o) -> bool
2123 __lt__(XYZ self, Particle d) -> bool
2125 return _IMP_core.XYZ___lt__(self, *args)
2127 def __ge__(self, *args):
2129 __ge__(XYZ self, XYZ o) -> bool
2130 __ge__(XYZ self, Particle d) -> bool
2132 return _IMP_core.XYZ___ge__(self, *args)
2134 def __gt__(self, *args):
2136 __gt__(XYZ self, XYZ o) -> bool
2137 __gt__(XYZ self, Particle d) -> bool
2139 return _IMP_core.XYZ___gt__(self, *args)
2142 r"""__hash__(XYZ self) -> std::size_t"""
2143 return _IMP_core.XYZ___hash__(self)
2146 r"""__str__(XYZ self) -> std::string"""
2147 return _IMP_core.XYZ___str__(self)
2150 r"""__repr__(XYZ self) -> std::string"""
2151 return _IMP_core.XYZ___repr__(self)
2153 def _get_as_binary(self):
2154 r"""_get_as_binary(XYZ self) -> PyObject *"""
2155 return _IMP_core.XYZ__get_as_binary(self)
2157 def _set_from_binary(self, p):
2158 r"""_set_from_binary(XYZ self, PyObject * p)"""
2159 return _IMP_core.XYZ__set_from_binary(self, p)
2161 def __getstate__(self):
2162 p = self._get_as_binary()
2163 if len(self.__dict__) > 1:
2164 d = self.__dict__.copy()
2169 def __setstate__(self, p):
2170 if not hasattr(self,
'this'):
2172 if isinstance(p, tuple):
2174 self.__dict__.update(d)
2175 return self._set_from_binary(p)
2177 __swig_destroy__ = _IMP_core.delete_XYZ
2180 _IMP_core.XYZ_swigregister(XYZ)
2183 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2184 return _IMP_core.set_vector_geometry(d, v)
2187 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2188 return _IMP_core.get_vector_geometry(d)
2191 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2192 return _IMP_core.get_dihedral(a, b, c, d)
2194 r"""Proxy of C++ IMP::core::XYZR class."""
2196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2198 def __init__(self, *args):
2200 __init__(XYZR self) -> XYZR
2201 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2202 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2204 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2206 def show(self, *args):
2207 r"""show(XYZR self, _ostream out=std::cout)"""
2208 return _IMP_core.XYZR_show(self, *args)
2211 def setup_particle(*args):
2213 setup_particle(Model m, ParticleIndex pi) -> XYZR
2214 setup_particle(_ParticleAdaptor pa) -> XYZR
2215 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2216 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2217 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2218 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2220 return _IMP_core.XYZR_setup_particle(*args)
2223 def get_is_setup(*args):
2225 get_is_setup(_ParticleAdaptor p) -> bool
2226 get_is_setup(Model m, ParticleIndex pi) -> bool
2228 return _IMP_core.XYZR_get_is_setup(*args)
2230 def get_radius(self):
2231 r"""get_radius(XYZR self) -> double"""
2232 return _IMP_core.XYZR_get_radius(self)
2234 def set_radius(self, r):
2235 r"""set_radius(XYZR self, double r)"""
2236 return _IMP_core.XYZR_set_radius(self, r)
2238 def get_sphere(self):
2239 r"""get_sphere(XYZR self) -> Sphere3D"""
2240 return _IMP_core.XYZR_get_sphere(self)
2242 def set_sphere(self, s):
2243 r"""set_sphere(XYZR self, Sphere3D s)"""
2244 return _IMP_core.XYZR_set_sphere(self, s)
2247 def get_radius_key():
2248 r"""get_radius_key() -> FloatKey"""
2249 return _IMP_core.XYZR_get_radius_key()
2251 def add_to_radius_derivative(self, v, d):
2252 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2253 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2255 def add_attribute(self, *args):
2257 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2258 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2259 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2260 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2261 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2262 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2263 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2264 add_attribute(XYZR self, ObjectKey a0, Object a1)
2265 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2266 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2267 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2268 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2270 return _IMP_core.XYZR_add_attribute(self, *args)
2272 def get_value(self, *args):
2274 get_value(XYZR self, FloatKey a0) -> IMP::Float
2275 get_value(XYZR self, IntKey a0) -> IMP::Int
2276 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2277 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2278 get_value(XYZR self, StringKey a0) -> IMP::String
2279 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2280 get_value(XYZR self, ObjectKey a0) -> Object
2281 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2282 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2283 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2284 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2286 return _IMP_core.XYZR_get_value(self, *args)
2288 def set_value(self, *args):
2290 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2291 set_value(XYZR self, IntKey a0, IMP::Int a1)
2292 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2293 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2294 set_value(XYZR self, StringKey a0, IMP::String a1)
2295 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2296 set_value(XYZR self, ObjectKey a0, Object a1)
2297 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2298 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2299 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2300 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2302 return _IMP_core.XYZR_set_value(self, *args)
2304 def remove_attribute(self, *args):
2306 remove_attribute(XYZR self, FloatKey a0)
2307 remove_attribute(XYZR self, IntKey a0)
2308 remove_attribute(XYZR self, FloatsKey a0)
2309 remove_attribute(XYZR self, IntsKey a0)
2310 remove_attribute(XYZR self, StringKey a0)
2311 remove_attribute(XYZR self, ParticleIndexKey a0)
2312 remove_attribute(XYZR self, ObjectKey a0)
2313 remove_attribute(XYZR self, SparseFloatKey a0)
2314 remove_attribute(XYZR self, SparseIntKey a0)
2315 remove_attribute(XYZR self, SparseStringKey a0)
2316 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2318 return _IMP_core.XYZR_remove_attribute(self, *args)
2320 def has_attribute(self, *args):
2322 has_attribute(XYZR self, FloatKey a0) -> bool
2323 has_attribute(XYZR self, IntKey a0) -> bool
2324 has_attribute(XYZR self, FloatsKey a0) -> bool
2325 has_attribute(XYZR self, IntsKey a0) -> bool
2326 has_attribute(XYZR self, StringKey a0) -> bool
2327 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2328 has_attribute(XYZR self, ObjectKey a0) -> bool
2329 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2330 has_attribute(XYZR self, SparseIntKey a0) -> bool
2331 has_attribute(XYZR self, SparseStringKey a0) -> bool
2332 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2334 return _IMP_core.XYZR_has_attribute(self, *args)
2336 def get_derivative(self, a0):
2337 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2338 return _IMP_core.XYZR_get_derivative(self, a0)
2341 r"""get_name(XYZR self) -> std::string"""
2342 return _IMP_core.XYZR_get_name(self)
2344 def clear_caches(self):
2345 r"""clear_caches(XYZR self)"""
2346 return _IMP_core.XYZR_clear_caches(self)
2348 def set_name(self, a0):
2349 r"""set_name(XYZR self, std::string a0)"""
2350 return _IMP_core.XYZR_set_name(self, a0)
2353 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2354 return _IMP_core.XYZR_set_check_level(self, a0)
2356 def add_to_derivative(self, a0, a1, a2):
2357 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2358 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2360 def set_is_optimized(self, a0, a1):
2361 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2362 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2364 def get_is_optimized(self, a0):
2365 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2366 return _IMP_core.XYZR_get_is_optimized(self, a0)
2369 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2370 return _IMP_core.XYZR_get_check_level(self)
2372 def __eq__(self, *args):
2374 __eq__(XYZR self, XYZR o) -> bool
2375 __eq__(XYZR self, Particle d) -> bool
2377 return _IMP_core.XYZR___eq__(self, *args)
2379 def __ne__(self, *args):
2381 __ne__(XYZR self, XYZR o) -> bool
2382 __ne__(XYZR self, Particle d) -> bool
2384 return _IMP_core.XYZR___ne__(self, *args)
2386 def __le__(self, *args):
2388 __le__(XYZR self, XYZR o) -> bool
2389 __le__(XYZR self, Particle d) -> bool
2391 return _IMP_core.XYZR___le__(self, *args)
2393 def __lt__(self, *args):
2395 __lt__(XYZR self, XYZR o) -> bool
2396 __lt__(XYZR self, Particle d) -> bool
2398 return _IMP_core.XYZR___lt__(self, *args)
2400 def __ge__(self, *args):
2402 __ge__(XYZR self, XYZR o) -> bool
2403 __ge__(XYZR self, Particle d) -> bool
2405 return _IMP_core.XYZR___ge__(self, *args)
2407 def __gt__(self, *args):
2409 __gt__(XYZR self, XYZR o) -> bool
2410 __gt__(XYZR self, Particle d) -> bool
2412 return _IMP_core.XYZR___gt__(self, *args)
2415 r"""__hash__(XYZR self) -> std::size_t"""
2416 return _IMP_core.XYZR___hash__(self)
2419 r"""__str__(XYZR self) -> std::string"""
2420 return _IMP_core.XYZR___str__(self)
2423 r"""__repr__(XYZR self) -> std::string"""
2424 return _IMP_core.XYZR___repr__(self)
2426 def _get_as_binary(self):
2427 r"""_get_as_binary(XYZR self) -> PyObject *"""
2428 return _IMP_core.XYZR__get_as_binary(self)
2430 def _set_from_binary(self, p):
2431 r"""_set_from_binary(XYZR self, PyObject * p)"""
2432 return _IMP_core.XYZR__set_from_binary(self, p)
2434 def __getstate__(self):
2435 p = self._get_as_binary()
2436 if len(self.__dict__) > 1:
2437 d = self.__dict__.copy()
2442 def __setstate__(self, p):
2443 if not hasattr(self,
'this'):
2445 if isinstance(p, tuple):
2447 self.__dict__.update(d)
2448 return self._set_from_binary(p)
2450 __swig_destroy__ = _IMP_core.delete_XYZR
2453 _IMP_core.XYZR_swigregister(XYZR)
2456 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2457 return _IMP_core.set_enclosing_sphere(b, v, slack)
2460 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2461 return _IMP_core.set_enclosing_radius(b, v)
2464 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2465 return _IMP_core.get_enclosing_sphere(v)
2468 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2469 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2471 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2475 def __init__(self, *args):
2477 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2478 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2480 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2482 def get_version_info(self):
2483 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2484 return _IMP_core.XYZRGeometry_get_version_info(self)
2485 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2488 r"""__str__(XYZRGeometry self) -> std::string"""
2489 return _IMP_core.XYZRGeometry___str__(self)
2492 r"""__repr__(XYZRGeometry self) -> std::string"""
2493 return _IMP_core.XYZRGeometry___repr__(self)
2497 return _object_cast_to_XYZRGeometry(o)
2501 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2503 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2505 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2507 def __init__(self, sc):
2508 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2509 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2511 def get_version_info(self):
2512 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2513 return _IMP_core.XYZRsGeometry_get_version_info(self)
2514 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2517 r"""__str__(XYZRsGeometry self) -> std::string"""
2518 return _IMP_core.XYZRsGeometry___str__(self)
2521 r"""__repr__(XYZRsGeometry self) -> std::string"""
2522 return _IMP_core.XYZRsGeometry___repr__(self)
2526 return _object_cast_to_XYZRsGeometry(o)
2530 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2532 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2536 def __init__(self, *args):
2538 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2539 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2541 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2543 def get_version_info(self):
2544 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2545 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2546 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2549 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2550 return _IMP_core.XYZDerivativeGeometry___str__(self)
2553 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2554 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2558 return _object_cast_to_XYZDerivativeGeometry(o)
2562 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2564 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2568 def __init__(self, sc):
2569 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2570 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2572 def get_version_info(self):
2573 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2574 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2575 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2578 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2579 return _IMP_core.XYZDerivativesGeometry___str__(self)
2582 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2583 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2587 return _object_cast_to_XYZDerivativesGeometry(o)
2591 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2593 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2595 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2597 def __init__(self, pp):
2598 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2599 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2601 def get_version_info(self):
2602 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2603 return _IMP_core.EdgePairGeometry_get_version_info(self)
2604 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2607 r"""__str__(EdgePairGeometry self) -> std::string"""
2608 return _IMP_core.EdgePairGeometry___str__(self)
2611 r"""__repr__(EdgePairGeometry self) -> std::string"""
2612 return _IMP_core.EdgePairGeometry___repr__(self)
2616 return _object_cast_to_EdgePairGeometry(o)
2620 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2622 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2624 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2626 def __init__(self, sc):
2627 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2628 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2630 def get_version_info(self):
2631 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2632 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2633 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2636 r"""__str__(EdgePairsGeometry self) -> std::string"""
2637 return _IMP_core.EdgePairsGeometry___str__(self)
2640 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2641 return _IMP_core.EdgePairsGeometry___repr__(self)
2645 return _object_cast_to_EdgePairsGeometry(o)
2649 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2651 r"""Proxy of C++ IMP::core::Direction class."""
2653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2656 def do_setup_particle(m, pi, v):
2657 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2658 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2660 def __init__(self, *args):
2662 __init__(Direction self) -> Direction
2663 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2664 __init__(Direction self, _ParticleAdaptor d) -> Direction
2666 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2668 def show(self, *args):
2669 r"""show(Direction self, _ostream out=std::cout)"""
2670 return _IMP_core.Direction_show(self, *args)
2673 def setup_particle(*args):
2675 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2676 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2678 return _IMP_core.Direction_setup_particle(*args)
2681 def get_is_setup(*args):
2683 get_is_setup(_ParticleAdaptor p) -> bool
2684 get_is_setup(Model m, ParticleIndex pi) -> bool
2686 return _IMP_core.Direction_get_is_setup(*args)
2689 def get_direction_key(i):
2690 r"""get_direction_key(unsigned int i) -> FloatKey"""
2691 return _IMP_core.Direction_get_direction_key(i)
2693 def get_direction_derivative(self, i):
2694 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2695 return _IMP_core.Direction_get_direction_derivative(self, i)
2697 def get_direction_derivatives(self):
2698 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2699 return _IMP_core.Direction_get_direction_derivatives(self)
2701 def add_to_direction_derivative(self, i, v, d):
2702 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2703 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2705 def add_to_direction_derivatives(self, v, d):
2706 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2707 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2709 def get_direction_is_optimized(self):
2710 r"""get_direction_is_optimized(Direction self) -> bool"""
2711 return _IMP_core.Direction_get_direction_is_optimized(self)
2713 def set_direction_is_optimized(self, tf):
2714 r"""set_direction_is_optimized(Direction self, bool tf)"""
2715 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2717 def get_direction(self):
2718 r"""get_direction(Direction self) -> Vector3D"""
2719 return _IMP_core.Direction_get_direction(self)
2721 def set_direction(self, v):
2722 r"""set_direction(Direction self, Vector3D v)"""
2723 return _IMP_core.Direction_set_direction(self, v)
2726 r"""reflect(Direction self)"""
2727 return _IMP_core.Direction_reflect(self)
2729 def add_attribute(self, *args):
2731 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2732 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2733 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2734 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2735 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2736 add_attribute(Direction self, StringKey a0, IMP::String a1)
2737 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2738 add_attribute(Direction self, ObjectKey a0, Object a1)
2739 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2740 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2741 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2742 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2744 return _IMP_core.Direction_add_attribute(self, *args)
2746 def get_value(self, *args):
2748 get_value(Direction self, FloatKey a0) -> IMP::Float
2749 get_value(Direction self, IntKey a0) -> IMP::Int
2750 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2751 get_value(Direction self, IntsKey a0) -> IMP::Ints
2752 get_value(Direction self, StringKey a0) -> IMP::String
2753 get_value(Direction self, ParticleIndexKey a0) -> Particle
2754 get_value(Direction self, ObjectKey a0) -> Object
2755 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2756 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2757 get_value(Direction self, SparseStringKey a0) -> IMP::String
2758 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2760 return _IMP_core.Direction_get_value(self, *args)
2762 def set_value(self, *args):
2764 set_value(Direction self, FloatKey a0, IMP::Float a1)
2765 set_value(Direction self, IntKey a0, IMP::Int a1)
2766 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2767 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2768 set_value(Direction self, StringKey a0, IMP::String a1)
2769 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2770 set_value(Direction self, ObjectKey a0, Object a1)
2771 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2772 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2773 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2774 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2776 return _IMP_core.Direction_set_value(self, *args)
2778 def remove_attribute(self, *args):
2780 remove_attribute(Direction self, FloatKey a0)
2781 remove_attribute(Direction self, IntKey a0)
2782 remove_attribute(Direction self, FloatsKey a0)
2783 remove_attribute(Direction self, IntsKey a0)
2784 remove_attribute(Direction self, StringKey a0)
2785 remove_attribute(Direction self, ParticleIndexKey a0)
2786 remove_attribute(Direction self, ObjectKey a0)
2787 remove_attribute(Direction self, SparseFloatKey a0)
2788 remove_attribute(Direction self, SparseIntKey a0)
2789 remove_attribute(Direction self, SparseStringKey a0)
2790 remove_attribute(Direction self, SparseParticleIndexKey a0)
2792 return _IMP_core.Direction_remove_attribute(self, *args)
2794 def has_attribute(self, *args):
2796 has_attribute(Direction self, FloatKey a0) -> bool
2797 has_attribute(Direction self, IntKey a0) -> bool
2798 has_attribute(Direction self, FloatsKey a0) -> bool
2799 has_attribute(Direction self, IntsKey a0) -> bool
2800 has_attribute(Direction self, StringKey a0) -> bool
2801 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2802 has_attribute(Direction self, ObjectKey a0) -> bool
2803 has_attribute(Direction self, SparseFloatKey a0) -> bool
2804 has_attribute(Direction self, SparseIntKey a0) -> bool
2805 has_attribute(Direction self, SparseStringKey a0) -> bool
2806 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2808 return _IMP_core.Direction_has_attribute(self, *args)
2810 def get_derivative(self, a0):
2811 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2812 return _IMP_core.Direction_get_derivative(self, a0)
2815 r"""get_name(Direction self) -> std::string"""
2816 return _IMP_core.Direction_get_name(self)
2818 def clear_caches(self):
2819 r"""clear_caches(Direction self)"""
2820 return _IMP_core.Direction_clear_caches(self)
2822 def set_name(self, a0):
2823 r"""set_name(Direction self, std::string a0)"""
2824 return _IMP_core.Direction_set_name(self, a0)
2827 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2828 return _IMP_core.Direction_set_check_level(self, a0)
2830 def add_to_derivative(self, a0, a1, a2):
2831 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2832 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2834 def set_is_optimized(self, a0, a1):
2835 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2836 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2838 def get_is_optimized(self, a0):
2839 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2840 return _IMP_core.Direction_get_is_optimized(self, a0)
2843 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2844 return _IMP_core.Direction_get_check_level(self)
2846 def __eq__(self, *args):
2848 __eq__(Direction self, Direction o) -> bool
2849 __eq__(Direction self, Particle d) -> bool
2851 return _IMP_core.Direction___eq__(self, *args)
2853 def __ne__(self, *args):
2855 __ne__(Direction self, Direction o) -> bool
2856 __ne__(Direction self, Particle d) -> bool
2858 return _IMP_core.Direction___ne__(self, *args)
2860 def __le__(self, *args):
2862 __le__(Direction self, Direction o) -> bool
2863 __le__(Direction self, Particle d) -> bool
2865 return _IMP_core.Direction___le__(self, *args)
2867 def __lt__(self, *args):
2869 __lt__(Direction self, Direction o) -> bool
2870 __lt__(Direction self, Particle d) -> bool
2872 return _IMP_core.Direction___lt__(self, *args)
2874 def __ge__(self, *args):
2876 __ge__(Direction self, Direction o) -> bool
2877 __ge__(Direction self, Particle d) -> bool
2879 return _IMP_core.Direction___ge__(self, *args)
2881 def __gt__(self, *args):
2883 __gt__(Direction self, Direction o) -> bool
2884 __gt__(Direction self, Particle d) -> bool
2886 return _IMP_core.Direction___gt__(self, *args)
2889 r"""__hash__(Direction self) -> std::size_t"""
2890 return _IMP_core.Direction___hash__(self)
2893 r"""__str__(Direction self) -> std::string"""
2894 return _IMP_core.Direction___str__(self)
2897 r"""__repr__(Direction self) -> std::string"""
2898 return _IMP_core.Direction___repr__(self)
2900 def _get_as_binary(self):
2901 r"""_get_as_binary(Direction self) -> PyObject *"""
2902 return _IMP_core.Direction__get_as_binary(self)
2904 def _set_from_binary(self, p):
2905 r"""_set_from_binary(Direction self, PyObject * p)"""
2906 return _IMP_core.Direction__set_from_binary(self, p)
2908 def __getstate__(self):
2909 p = self._get_as_binary()
2910 if len(self.__dict__) > 1:
2911 d = self.__dict__.copy()
2916 def __setstate__(self, p):
2917 if not hasattr(self,
'this'):
2919 if isinstance(p, tuple):
2921 self.__dict__.update(d)
2922 return self._set_from_binary(p)
2924 __swig_destroy__ = _IMP_core.delete_Direction
2927 _IMP_core.Direction_swigregister(Direction)
2930 r"""get_angle(Direction a, Direction b) -> double"""
2931 return _IMP_core.get_angle(a, b)
2933 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2935 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2937 def __init__(self, *args):
2939 __init__(DirectionAngle self) -> DirectionAngle
2940 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2941 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2943 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2945 def show(self, *args):
2946 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2947 return _IMP_core.DirectionAngle_show(self, *args)
2950 def setup_particle(*args):
2952 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2953 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2954 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2955 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2957 return _IMP_core.DirectionAngle_setup_particle(*args)
2960 def get_is_setup(*args):
2962 get_is_setup(_ParticleAdaptor p) -> bool
2963 get_is_setup(Model m, ParticleIndex pi) -> bool
2965 return _IMP_core.DirectionAngle_get_is_setup(*args)
2968 def get_angle_key():
2969 r"""get_angle_key() -> FloatKey"""
2970 return _IMP_core.DirectionAngle_get_angle_key()
2973 def get_particle_key(i):
2974 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
2975 return _IMP_core.DirectionAngle_get_particle_key(i)
2977 def get_particle(self, *args):
2979 get_particle(DirectionAngle self, unsigned int i) -> Particle
2980 get_particle(DirectionAngle self) -> Particle
2982 return _IMP_core.DirectionAngle_get_particle(self, *args)
2984 def get_particle_index(self, *args):
2986 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
2987 get_particle_index(DirectionAngle self) -> ParticleIndex
2989 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
2992 r"""get_angle(DirectionAngle self) -> IMP::Float"""
2993 return _IMP_core.DirectionAngle_get_angle(self)
2995 def get_angle_derivative(self):
2996 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
2997 return _IMP_core.DirectionAngle_get_angle_derivative(self)
2999 def add_to_angle_derivative(self, v, d):
3000 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3001 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3003 def add_attribute(self, *args):
3005 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3006 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3007 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3008 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3009 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3010 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3011 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3012 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3013 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3014 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3015 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3016 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3018 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3020 def get_value(self, *args):
3022 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3023 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3024 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3025 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3026 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3027 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3028 get_value(DirectionAngle self, ObjectKey a0) -> Object
3029 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3030 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3031 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3032 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3034 return _IMP_core.DirectionAngle_get_value(self, *args)
3036 def set_value(self, *args):
3038 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3039 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3040 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3041 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3042 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3043 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3044 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3045 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3046 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3047 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3048 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3050 return _IMP_core.DirectionAngle_set_value(self, *args)
3052 def remove_attribute(self, *args):
3054 remove_attribute(DirectionAngle self, FloatKey a0)
3055 remove_attribute(DirectionAngle self, IntKey a0)
3056 remove_attribute(DirectionAngle self, FloatsKey a0)
3057 remove_attribute(DirectionAngle self, IntsKey a0)
3058 remove_attribute(DirectionAngle self, StringKey a0)
3059 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3060 remove_attribute(DirectionAngle self, ObjectKey a0)
3061 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3062 remove_attribute(DirectionAngle self, SparseIntKey a0)
3063 remove_attribute(DirectionAngle self, SparseStringKey a0)
3064 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3066 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3068 def has_attribute(self, *args):
3070 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3071 has_attribute(DirectionAngle self, IntKey a0) -> bool
3072 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3073 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3074 has_attribute(DirectionAngle self, StringKey a0) -> bool
3075 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3076 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3077 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3078 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3079 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3080 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3082 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3084 def get_derivative(self, a0):
3085 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3086 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3089 r"""get_name(DirectionAngle self) -> std::string"""
3090 return _IMP_core.DirectionAngle_get_name(self)
3092 def clear_caches(self):
3093 r"""clear_caches(DirectionAngle self)"""
3094 return _IMP_core.DirectionAngle_clear_caches(self)
3096 def set_name(self, a0):
3097 r"""set_name(DirectionAngle self, std::string a0)"""
3098 return _IMP_core.DirectionAngle_set_name(self, a0)
3101 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3102 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3104 def add_to_derivative(self, a0, a1, a2):
3105 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3106 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3108 def set_is_optimized(self, a0, a1):
3109 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3110 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3112 def get_is_optimized(self, a0):
3113 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3114 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3117 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3118 return _IMP_core.DirectionAngle_get_check_level(self)
3120 def __eq__(self, *args):
3122 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3123 __eq__(DirectionAngle self, Particle d) -> bool
3125 return _IMP_core.DirectionAngle___eq__(self, *args)
3127 def __ne__(self, *args):
3129 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3130 __ne__(DirectionAngle self, Particle d) -> bool
3132 return _IMP_core.DirectionAngle___ne__(self, *args)
3134 def __le__(self, *args):
3136 __le__(DirectionAngle self, DirectionAngle o) -> bool
3137 __le__(DirectionAngle self, Particle d) -> bool
3139 return _IMP_core.DirectionAngle___le__(self, *args)
3141 def __lt__(self, *args):
3143 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3144 __lt__(DirectionAngle self, Particle d) -> bool
3146 return _IMP_core.DirectionAngle___lt__(self, *args)
3148 def __ge__(self, *args):
3150 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3151 __ge__(DirectionAngle self, Particle d) -> bool
3153 return _IMP_core.DirectionAngle___ge__(self, *args)
3155 def __gt__(self, *args):
3157 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3158 __gt__(DirectionAngle self, Particle d) -> bool
3160 return _IMP_core.DirectionAngle___gt__(self, *args)
3163 r"""__hash__(DirectionAngle self) -> std::size_t"""
3164 return _IMP_core.DirectionAngle___hash__(self)
3167 r"""__str__(DirectionAngle self) -> std::string"""
3168 return _IMP_core.DirectionAngle___str__(self)
3171 r"""__repr__(DirectionAngle self) -> std::string"""
3172 return _IMP_core.DirectionAngle___repr__(self)
3174 def _get_as_binary(self):
3175 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3176 return _IMP_core.DirectionAngle__get_as_binary(self)
3178 def _set_from_binary(self, p):
3179 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3180 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3182 def __getstate__(self):
3183 p = self._get_as_binary()
3184 if len(self.__dict__) > 1:
3185 d = self.__dict__.copy()
3190 def __setstate__(self, p):
3191 if not hasattr(self,
'this'):
3193 if isinstance(p, tuple):
3195 self.__dict__.update(d)
3196 return self._set_from_binary(p)
3198 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3201 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3203 r"""Proxy of C++ IMP::core::Surface class."""
3205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3208 def do_setup_particle(*args):
3210 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3211 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3213 return _IMP_core.Surface_do_setup_particle(*args)
3215 def __init__(self, *args):
3217 __init__(Surface self) -> Surface
3218 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3219 __init__(Surface self, _ParticleAdaptor d) -> Surface
3221 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3223 def show(self, *args):
3224 r"""show(Surface self, _ostream out=std::cout)"""
3225 return _IMP_core.Surface_show(self, *args)
3228 def setup_particle(*args):
3230 setup_particle(Model m, ParticleIndex pi) -> Surface
3231 setup_particle(_ParticleAdaptor pa) -> Surface
3232 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3233 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3234 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3235 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3236 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3237 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3239 return _IMP_core.Surface_setup_particle(*args)
3241 def get_normal_x(self):
3242 r"""get_normal_x(Surface self) -> IMP::Float"""
3243 return _IMP_core.Surface_get_normal_x(self)
3245 def set_normal_x(self, t):
3246 r"""set_normal_x(Surface self, IMP::Float t)"""
3247 return _IMP_core.Surface_set_normal_x(self, t)
3249 def get_normal_y(self):
3250 r"""get_normal_y(Surface self) -> IMP::Float"""
3251 return _IMP_core.Surface_get_normal_y(self)
3253 def set_normal_y(self, t):
3254 r"""set_normal_y(Surface self, IMP::Float t)"""
3255 return _IMP_core.Surface_set_normal_y(self, t)
3257 def get_normal_z(self):
3258 r"""get_normal_z(Surface self) -> IMP::Float"""
3259 return _IMP_core.Surface_get_normal_z(self)
3261 def set_normal_z(self, t):
3262 r"""set_normal_z(Surface self, IMP::Float t)"""
3263 return _IMP_core.Surface_set_normal_z(self, t)
3266 def get_is_setup(*args):
3268 get_is_setup(_ParticleAdaptor p) -> bool
3269 get_is_setup(Model m, ParticleIndex pi) -> bool
3271 return _IMP_core.Surface_get_is_setup(*args)
3274 def get_normal_key(i):
3275 r"""get_normal_key(unsigned int i) -> FloatKey"""
3276 return _IMP_core.Surface_get_normal_key(i)
3278 def get_normal_derivative(self, i):
3279 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3280 return _IMP_core.Surface_get_normal_derivative(self, i)
3282 def get_normal_derivatives(self):
3283 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3284 return _IMP_core.Surface_get_normal_derivatives(self)
3286 def add_to_normal_derivative(self, i, v, d):
3287 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3288 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3290 def add_to_normal_derivatives(self, v, d):
3291 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3292 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3294 def get_normal_is_optimized(self):
3295 r"""get_normal_is_optimized(Surface self) -> bool"""
3296 return _IMP_core.Surface_get_normal_is_optimized(self)
3298 def set_normal_is_optimized(self, tf):
3299 r"""set_normal_is_optimized(Surface self, bool tf)"""
3300 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3302 def get_normal(self):
3303 r"""get_normal(Surface self) -> Vector3D"""
3304 return _IMP_core.Surface_get_normal(self)
3306 def set_normal(self, normal):
3307 r"""set_normal(Surface self, Vector3D normal)"""
3308 return _IMP_core.Surface_set_normal(self, normal)
3311 r"""reflect(Surface self)"""
3312 return _IMP_core.Surface_reflect(self)
3315 r"""get_height(Surface self, Vector3D v) -> double"""
3316 return _IMP_core.Surface_get_height(self, v)
3319 r"""get_depth(Surface self, Vector3D v) -> double"""
3320 return _IMP_core.Surface_get_depth(self, v)
3322 def get_distance_to(self, v):
3323 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3324 return _IMP_core.Surface_get_distance_to(self, v)
3326 def get_distance_to_center(self, v):
3327 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3328 return _IMP_core.Surface_get_distance_to_center(self, v)
3330 def set_reference_frame(self, rf):
3331 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3332 return _IMP_core.Surface_set_reference_frame(self, rf)
3334 def get_reference_frame(self):
3335 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3336 return _IMP_core.Surface_get_reference_frame(self)
3338 def get_plane(self):
3339 r"""get_plane(Surface self) -> Plane3D"""
3340 return _IMP_core.Surface_get_plane(self)
3342 def add_attribute(self, *args):
3344 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3345 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3346 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3347 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3348 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3349 add_attribute(Surface self, StringKey a0, IMP::String a1)
3350 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3351 add_attribute(Surface self, ObjectKey a0, Object a1)
3352 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3353 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3354 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3355 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3357 return _IMP_core.Surface_add_attribute(self, *args)
3359 def get_value(self, *args):
3361 get_value(Surface self, FloatKey a0) -> IMP::Float
3362 get_value(Surface self, IntKey a0) -> IMP::Int
3363 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3364 get_value(Surface self, IntsKey a0) -> IMP::Ints
3365 get_value(Surface self, StringKey a0) -> IMP::String
3366 get_value(Surface self, ParticleIndexKey a0) -> Particle
3367 get_value(Surface self, ObjectKey a0) -> Object
3368 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3369 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3370 get_value(Surface self, SparseStringKey a0) -> IMP::String
3371 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3373 return _IMP_core.Surface_get_value(self, *args)
3375 def set_value(self, *args):
3377 set_value(Surface self, FloatKey a0, IMP::Float a1)
3378 set_value(Surface self, IntKey a0, IMP::Int a1)
3379 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3380 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3381 set_value(Surface self, StringKey a0, IMP::String a1)
3382 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3383 set_value(Surface self, ObjectKey a0, Object a1)
3384 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3385 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3386 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3387 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3389 return _IMP_core.Surface_set_value(self, *args)
3391 def remove_attribute(self, *args):
3393 remove_attribute(Surface self, FloatKey a0)
3394 remove_attribute(Surface self, IntKey a0)
3395 remove_attribute(Surface self, FloatsKey a0)
3396 remove_attribute(Surface self, IntsKey a0)
3397 remove_attribute(Surface self, StringKey a0)
3398 remove_attribute(Surface self, ParticleIndexKey a0)
3399 remove_attribute(Surface self, ObjectKey a0)
3400 remove_attribute(Surface self, SparseFloatKey a0)
3401 remove_attribute(Surface self, SparseIntKey a0)
3402 remove_attribute(Surface self, SparseStringKey a0)
3403 remove_attribute(Surface self, SparseParticleIndexKey a0)
3405 return _IMP_core.Surface_remove_attribute(self, *args)
3407 def has_attribute(self, *args):
3409 has_attribute(Surface self, FloatKey a0) -> bool
3410 has_attribute(Surface self, IntKey a0) -> bool
3411 has_attribute(Surface self, FloatsKey a0) -> bool
3412 has_attribute(Surface self, IntsKey a0) -> bool
3413 has_attribute(Surface self, StringKey a0) -> bool
3414 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3415 has_attribute(Surface self, ObjectKey a0) -> bool
3416 has_attribute(Surface self, SparseFloatKey a0) -> bool
3417 has_attribute(Surface self, SparseIntKey a0) -> bool
3418 has_attribute(Surface self, SparseStringKey a0) -> bool
3419 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3421 return _IMP_core.Surface_has_attribute(self, *args)
3423 def get_derivative(self, a0):
3424 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3425 return _IMP_core.Surface_get_derivative(self, a0)
3428 r"""get_name(Surface self) -> std::string"""
3429 return _IMP_core.Surface_get_name(self)
3431 def clear_caches(self):
3432 r"""clear_caches(Surface self)"""
3433 return _IMP_core.Surface_clear_caches(self)
3435 def set_name(self, a0):
3436 r"""set_name(Surface self, std::string a0)"""
3437 return _IMP_core.Surface_set_name(self, a0)
3440 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3441 return _IMP_core.Surface_set_check_level(self, a0)
3443 def add_to_derivative(self, a0, a1, a2):
3444 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3445 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3447 def set_is_optimized(self, a0, a1):
3448 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3449 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3451 def get_is_optimized(self, a0):
3452 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3453 return _IMP_core.Surface_get_is_optimized(self, a0)
3456 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3457 return _IMP_core.Surface_get_check_level(self)
3459 def __eq__(self, *args):
3461 __eq__(Surface self, Surface o) -> bool
3462 __eq__(Surface self, Particle d) -> bool
3464 return _IMP_core.Surface___eq__(self, *args)
3466 def __ne__(self, *args):
3468 __ne__(Surface self, Surface o) -> bool
3469 __ne__(Surface self, Particle d) -> bool
3471 return _IMP_core.Surface___ne__(self, *args)
3473 def __le__(self, *args):
3475 __le__(Surface self, Surface o) -> bool
3476 __le__(Surface self, Particle d) -> bool
3478 return _IMP_core.Surface___le__(self, *args)
3480 def __lt__(self, *args):
3482 __lt__(Surface self, Surface o) -> bool
3483 __lt__(Surface self, Particle d) -> bool
3485 return _IMP_core.Surface___lt__(self, *args)
3487 def __ge__(self, *args):
3489 __ge__(Surface self, Surface o) -> bool
3490 __ge__(Surface self, Particle d) -> bool
3492 return _IMP_core.Surface___ge__(self, *args)
3494 def __gt__(self, *args):
3496 __gt__(Surface self, Surface o) -> bool
3497 __gt__(Surface self, Particle d) -> bool
3499 return _IMP_core.Surface___gt__(self, *args)
3502 r"""__hash__(Surface self) -> std::size_t"""
3503 return _IMP_core.Surface___hash__(self)
3506 r"""__str__(Surface self) -> std::string"""
3507 return _IMP_core.Surface___str__(self)
3510 r"""__repr__(Surface self) -> std::string"""
3511 return _IMP_core.Surface___repr__(self)
3513 def _get_as_binary(self):
3514 r"""_get_as_binary(Surface self) -> PyObject *"""
3515 return _IMP_core.Surface__get_as_binary(self)
3517 def _set_from_binary(self, p):
3518 r"""_set_from_binary(Surface self, PyObject * p)"""
3519 return _IMP_core.Surface__set_from_binary(self, p)
3521 def __getstate__(self):
3522 p = self._get_as_binary()
3523 if len(self.__dict__) > 1:
3524 d = self.__dict__.copy()
3529 def __setstate__(self, p):
3530 if not hasattr(self,
'this'):
3532 if isinstance(p, tuple):
3534 self.__dict__.update(d)
3535 return self._set_from_binary(p)
3537 __swig_destroy__ = _IMP_core.delete_Surface
3540 _IMP_core.Surface_swigregister(Surface)
3544 get_height(Surface s, XYZR d) -> double
3545 get_height(Surface s, XYZ d) -> double
3547 return _IMP_core.get_height(*args)
3551 get_depth(Surface s, XYZR d) -> double
3552 get_depth(Surface s, XYZ d) -> double
3554 return _IMP_core.get_depth(*args)
3558 get_distance(XYZ a, XYZ b) -> double
3559 get_distance(XYZR a, XYZR b) -> double
3560 get_distance(Surface s, XYZR d) -> double
3561 get_distance(Surface s, XYZ d) -> double
3563 return _IMP_core.get_distance(*args)
3565 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3567 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3569 def __init__(self, *args):
3571 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3572 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3573 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3575 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3577 def get_geometry(self):
3578 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3579 return _IMP_core.SurfaceGeometry_get_geometry(self)
3581 def set_geometry(self, s):
3582 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3583 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3585 def get_version_info(self):
3586 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3587 return _IMP_core.SurfaceGeometry_get_version_info(self)
3588 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3591 r"""__str__(SurfaceGeometry self) -> std::string"""
3592 return _IMP_core.SurfaceGeometry___str__(self)
3595 r"""__repr__(SurfaceGeometry self) -> std::string"""
3596 return _IMP_core.SurfaceGeometry___repr__(self)
3600 return _object_cast_to_SurfaceGeometry(o)
3604 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3607 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3608 return _IMP_core.create_geometry(*args)
3610 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3614 def __init__(self, s, g):
3615 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3616 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3618 def get_surface(self):
3619 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3620 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3622 def get_geometry(self):
3623 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3624 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3626 def do_get_inputs(self):
3627 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3628 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3630 def do_get_outputs(self):
3631 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3632 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3634 def get_version_info(self):
3635 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3636 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3637 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3640 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3641 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3644 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3645 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3649 return _object_cast_to_SurfaceGeometryConstraint(o)
3653 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3656 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3657 return _IMP_core.get_constrained_surface_geometry(*args)
3659 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3663 def __init__(self, s, d):
3664 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3665 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3667 def do_get_inputs(self):
3668 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3669 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3671 def do_get_outputs(self):
3672 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3673 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3675 def get_version_info(self):
3676 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3677 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3678 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3681 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3682 return _IMP_core.LateralSurfaceConstraint___str__(self)
3685 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3686 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3690 return _object_cast_to_LateralSurfaceConstraint(o)
3694 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3696 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3698 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3700 def __init__(self, *args):
3702 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3703 __init__(AngleTripletScore self) -> AngleTripletScore
3705 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3707 def do_get_inputs(self, m, pis):
3708 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3709 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3711 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3712 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"""
3713 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3715 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3716 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"""
3717 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3719 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3720 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"""
3721 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3723 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3724 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"""
3725 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3727 def get_version_info(self):
3728 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3729 return _IMP_core.AngleTripletScore_get_version_info(self)
3730 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3733 r"""__str__(AngleTripletScore self) -> std::string"""
3734 return _IMP_core.AngleTripletScore___str__(self)
3737 r"""__repr__(AngleTripletScore self) -> std::string"""
3738 return _IMP_core.AngleTripletScore___repr__(self)
3742 return _object_cast_to_AngleTripletScore(o)
3745 def _get_as_binary(self):
3746 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3747 return _IMP_core.AngleTripletScore__get_as_binary(self)
3749 def _set_from_binary(self, p):
3750 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3751 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3753 def __getstate__(self):
3754 p = self._get_as_binary()
3755 if len(self.__dict__) > 1:
3756 d = self.__dict__.copy()
3761 def __setstate__(self, p):
3762 if not hasattr(self,
'this'):
3764 if isinstance(p, tuple):
3766 self.__dict__.update(d)
3767 return self._set_from_binary(p)
3771 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3772 class BallMover(MonteCarloMover):
3773 r"""Proxy of C++ IMP::core::BallMover class."""
3775 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3777 def __init__(self, *args):
3779 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3780 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3781 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3782 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3783 __init__(BallMover self) -> BallMover
3785 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3787 def set_radius(self, radius):
3788 r"""set_radius(BallMover self, IMP::Float radius)"""
3789 return _IMP_core.BallMover_set_radius(self, radius)
3791 def get_radius(self):
3792 r"""get_radius(BallMover self) -> IMP::Float"""
3793 return _IMP_core.BallMover_get_radius(self)
3796 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3797 return _IMP_core.BallMover_get_indexes(self)
3800 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3801 return _IMP_core.BallMover_get_keys(self)
3803 def get_version_info(self):
3804 r"""get_version_info(BallMover self) -> VersionInfo"""
3805 return _IMP_core.BallMover_get_version_info(self)
3806 __swig_destroy__ = _IMP_core.delete_BallMover
3809 r"""__str__(BallMover self) -> std::string"""
3810 return _IMP_core.BallMover___str__(self)
3813 r"""__repr__(BallMover self) -> std::string"""
3814 return _IMP_core.BallMover___repr__(self)
3818 return _object_cast_to_BallMover(o)
3821 def _get_as_binary(self):
3822 r"""_get_as_binary(BallMover self) -> PyObject *"""
3823 return _IMP_core.BallMover__get_as_binary(self)
3825 def _set_from_binary(self, p):
3826 r"""_set_from_binary(BallMover self, PyObject * p)"""
3827 return _IMP_core.BallMover__set_from_binary(self, p)
3829 def __getstate__(self):
3830 p = self._get_as_binary()
3831 if len(self.__dict__) > 1:
3832 d = self.__dict__.copy()
3837 def __setstate__(self, p):
3838 if not hasattr(self,
'this'):
3840 if isinstance(p, tuple):
3842 self.__dict__.update(d)
3843 return self._set_from_binary(p)
3848 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3849 indexes = self.get_indexes()
3850 keys = frozenset(self.get_keys())
3852 raise NotImplementedError(
"Only works for XYZ")
3853 radius = self.get_radius()
3858 def propose_func(jm, key):
3859 key, subkey = jax.random.split(key)
3860 v = get_random_vector_in_3d_sphere(subkey, radius)
3861 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3863 return self._wrap_jax(init_func, propose_func)
3867 _IMP_core.BallMover_swigregister(BallMover)
3868 class SerialMover(MonteCarloMover):
3869 r"""Proxy of C++ IMP::core::SerialMover class."""
3871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3873 def __init__(self, *args):
3875 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3876 __init__(SerialMover self) -> SerialMover
3878 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3880 def get_movers(self):
3881 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3882 return _IMP_core.SerialMover_get_movers(self)
3884 def get_version_info(self):
3885 r"""get_version_info(SerialMover self) -> VersionInfo"""
3886 return _IMP_core.SerialMover_get_version_info(self)
3887 __swig_destroy__ = _IMP_core.delete_SerialMover
3890 r"""__str__(SerialMover self) -> std::string"""
3891 return _IMP_core.SerialMover___str__(self)
3894 r"""__repr__(SerialMover self) -> std::string"""
3895 return _IMP_core.SerialMover___repr__(self)
3899 return _object_cast_to_SerialMover(o)
3902 def _get_as_binary(self):
3903 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3904 return _IMP_core.SerialMover__get_as_binary(self)
3906 def _set_from_binary(self, p):
3907 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3908 return _IMP_core.SerialMover__set_from_binary(self, p)
3910 def __getstate__(self):
3911 p = self._get_as_binary()
3912 if len(self.__dict__) > 1:
3913 d = self.__dict__.copy()
3918 def __setstate__(self, p):
3919 if not hasattr(self,
'this'):
3921 if isinstance(p, tuple):
3923 self.__dict__.update(d)
3924 return self._set_from_binary(p)
3931 from IMP.core._jax_util
import _SerialMover
3932 movers = [m.get_derived_object()._get_jax()
3933 for m
in self.get_movers()]
3935 def sub_propose_func(jm, sms, i):
3936 """Call the propose_func of the ith mover"""
3937 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3938 jm, sms.mover_state[i])
3939 return jm, sms, ratio
3941 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3942 for i
in range(len(movers))]
3948 key, subkey = jax.random.split(key)
3949 mover_state.append(m.init_func(subkey))
3950 return _SerialMover(imov=-1, mover_state=mover_state)
3952 def propose_func(jm, sms):
3953 sms.imov = jax.lax.min(sms.imov + 1, len(movers) - 1)
3954 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
3955 return self._wrap_jax(init_func, propose_func)
3959 _IMP_core.SerialMover_swigregister(SerialMover)
3960 class SubsetMover(MonteCarloMover):
3961 r"""Proxy of C++ IMP::core::SubsetMover class."""
3963 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3965 def __init__(self, *args):
3967 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
3968 __init__(SubsetMover self) -> SubsetMover
3970 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
3972 def get_movers(self):
3973 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
3974 return _IMP_core.SubsetMover_get_movers(self)
3976 def get_subset_size(self):
3977 r"""get_subset_size(SubsetMover self) -> unsigned int"""
3978 return _IMP_core.SubsetMover_get_subset_size(self)
3980 def get_version_info(self):
3981 r"""get_version_info(SubsetMover self) -> VersionInfo"""
3982 return _IMP_core.SubsetMover_get_version_info(self)
3983 __swig_destroy__ = _IMP_core.delete_SubsetMover
3986 r"""__str__(SubsetMover self) -> std::string"""
3987 return _IMP_core.SubsetMover___str__(self)
3990 r"""__repr__(SubsetMover self) -> std::string"""
3991 return _IMP_core.SubsetMover___repr__(self)
3995 return _object_cast_to_SubsetMover(o)
3998 def _get_as_binary(self):
3999 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4000 return _IMP_core.SubsetMover__get_as_binary(self)
4002 def _set_from_binary(self, p):
4003 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4004 return _IMP_core.SubsetMover__set_from_binary(self, p)
4006 def __getstate__(self):
4007 p = self._get_as_binary()
4008 if len(self.__dict__) > 1:
4009 d = self.__dict__.copy()
4014 def __setstate__(self, p):
4015 if not hasattr(self,
'this'):
4017 if isinstance(p, tuple):
4019 self.__dict__.update(d)
4020 return self._set_from_binary(p)
4024 _IMP_core.SubsetMover_swigregister(SubsetMover)
4025 class DirectionMover(MonteCarloMover):
4026 r"""Proxy of C++ IMP::core::DirectionMover class."""
4028 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4030 def __init__(self, *args):
4032 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4033 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4034 __init__(DirectionMover self) -> DirectionMover
4036 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4038 def set_maximum_rotation(self, mr):
4039 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4040 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4042 def set_reflect_probability(self, rp):
4043 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4044 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4046 def get_maximum_rotation(self):
4047 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4048 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4050 def get_reflect_probability(self):
4051 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4052 return _IMP_core.DirectionMover_get_reflect_probability(self)
4054 def get_direction(self):
4055 r"""get_direction(DirectionMover self) -> Direction"""
4056 return _IMP_core.DirectionMover_get_direction(self)
4058 def get_version_info(self):
4059 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4060 return _IMP_core.DirectionMover_get_version_info(self)
4061 __swig_destroy__ = _IMP_core.delete_DirectionMover
4064 r"""__str__(DirectionMover self) -> std::string"""
4065 return _IMP_core.DirectionMover___str__(self)
4068 r"""__repr__(DirectionMover self) -> std::string"""
4069 return _IMP_core.DirectionMover___repr__(self)
4073 return _object_cast_to_DirectionMover(o)
4076 def _get_as_binary(self):
4077 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4078 return _IMP_core.DirectionMover__get_as_binary(self)
4080 def _set_from_binary(self, p):
4081 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4082 return _IMP_core.DirectionMover__set_from_binary(self, p)
4084 def __getstate__(self):
4085 p = self._get_as_binary()
4086 if len(self.__dict__) > 1:
4087 d = self.__dict__.copy()
4092 def __setstate__(self, p):
4093 if not hasattr(self,
'this'):
4095 if isinstance(p, tuple):
4097 self.__dict__.update(d)
4098 return self._set_from_binary(p)
4102 _IMP_core.DirectionMover_swigregister(DirectionMover)
4103 class SurfaceMover(MonteCarloMover):
4104 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4106 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4108 def __init__(self, *args):
4110 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4111 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4112 __init__(SurfaceMover self) -> SurfaceMover
4114 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4116 def set_maximum_translation(self, mt):
4117 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4118 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4120 def set_maximum_rotation(self, mr):
4121 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4122 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4124 def set_reflect_probability(self, rp):
4125 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4126 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4128 def get_maximum_translation(self):
4129 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4130 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4132 def get_maximum_rotation(self):
4133 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4134 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4136 def get_reflect_probability(self):
4137 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4138 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4140 def get_surface(self):
4141 r"""get_surface(SurfaceMover self) -> Surface"""
4142 return _IMP_core.SurfaceMover_get_surface(self)
4144 def get_version_info(self):
4145 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4146 return _IMP_core.SurfaceMover_get_version_info(self)
4147 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4150 r"""__str__(SurfaceMover self) -> std::string"""
4151 return _IMP_core.SurfaceMover___str__(self)
4154 r"""__repr__(SurfaceMover self) -> std::string"""
4155 return _IMP_core.SurfaceMover___repr__(self)
4159 return _object_cast_to_SurfaceMover(o)
4162 def _get_as_binary(self):
4163 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4164 return _IMP_core.SurfaceMover__get_as_binary(self)
4166 def _set_from_binary(self, p):
4167 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4168 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4170 def __getstate__(self):
4171 p = self._get_as_binary()
4172 if len(self.__dict__) > 1:
4173 d = self.__dict__.copy()
4178 def __setstate__(self, p):
4179 if not hasattr(self,
'this'):
4181 if isinstance(p, tuple):
4183 self.__dict__.update(d)
4184 return self._set_from_binary(p)
4188 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4189 class BoxSweepClosePairsFinder(ClosePairsFinder):
4190 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4192 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4195 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4196 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4198 def get_close_pairs(self, *args):
4200 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4201 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4202 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4203 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4205 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4207 def do_get_inputs(self, m, pis):
4208 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4209 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4211 def get_version_info(self):
4212 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4213 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4214 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4217 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4218 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4221 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4222 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4226 return _object_cast_to_BoxSweepClosePairsFinder(o)
4230 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4232 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4236 def __init__(self, *args):
4237 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4238 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4240 def get_refiner(self):
4241 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4242 return _IMP_core.CentroidOfRefined_get_refiner(self)
4244 def get_weight(self):
4245 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4246 return _IMP_core.CentroidOfRefined_get_weight(self)
4249 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4250 return _IMP_core.CentroidOfRefined_get_keys(self)
4252 def get_is_weight_null(self):
4253 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4254 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4256 def do_get_inputs(self, m, pis):
4257 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4258 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4260 def do_get_outputs(self, m, pis):
4261 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4262 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4264 def get_version_info(self):
4265 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4266 return _IMP_core.CentroidOfRefined_get_version_info(self)
4267 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4270 r"""__str__(CentroidOfRefined self) -> std::string"""
4271 return _IMP_core.CentroidOfRefined___str__(self)
4274 r"""__repr__(CentroidOfRefined self) -> std::string"""
4275 return _IMP_core.CentroidOfRefined___repr__(self)
4279 return _object_cast_to_CentroidOfRefined(o)
4282 def _get_jax(self, m, index=None):
4284 import jax.numpy
as jnp
4286 raise NotImplementedError(
"Only implemented for single particle")
4287 refined = self.get_refiner().get_refined_indexes(m, index)
4289 def apply_func_unweighted(jm, indexes):
4291 jm[
'xyz'] = xyz.at[indexes].set(jnp.average(xyz[refined], axis=0))
4294 def apply_func_weighted(jm, indexes, weight_key):
4296 weights = jm[weight_key][refined]
4297 jm[
'xyz'] = xyz.at[indexes].set(jnp.average(xyz[refined], axis=0,
4301 keys = frozenset(self.get_keys())
4303 raise NotImplementedError(
"Only works for XYZ")
4305 if self.get_is_weight_null():
4306 return self._wrap_jax(apply_func_unweighted)
4308 weight_key = self.get_weight()
4309 return self._wrap_jax(
4310 functools.partial(apply_func_weighted,
4311 weight_key=weight_key.get_string()),
4316 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4317 class Centroid(XYZ):
4318 r"""Proxy of C++ IMP::core::Centroid class."""
4320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4322 def get_constraint(self):
4323 r"""get_constraint(Centroid self) -> Constraint"""
4324 return _IMP_core.Centroid_get_constraint(self)
4326 def __init__(self, *args):
4328 __init__(Centroid self) -> Centroid
4329 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4330 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4332 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4334 def show(self, *args):
4335 r"""show(Centroid self, _ostream out=std::cout)"""
4336 return _IMP_core.Centroid_show(self, *args)
4339 def setup_particle(*args):
4341 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4342 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4343 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4344 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4346 return _IMP_core.Centroid_setup_particle(*args)
4349 def get_is_setup(*args):
4351 get_is_setup(_ParticleAdaptor p) -> bool
4352 get_is_setup(Model m, ParticleIndex pi) -> bool
4354 return _IMP_core.Centroid_get_is_setup(*args)
4356 def add_attribute(self, *args):
4358 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4359 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4360 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4361 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4362 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4363 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4364 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4365 add_attribute(Centroid self, ObjectKey a0, Object a1)
4366 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4367 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4368 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4369 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4371 return _IMP_core.Centroid_add_attribute(self, *args)
4373 def get_value(self, *args):
4375 get_value(Centroid self, FloatKey a0) -> IMP::Float
4376 get_value(Centroid self, IntKey a0) -> IMP::Int
4377 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4378 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4379 get_value(Centroid self, StringKey a0) -> IMP::String
4380 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4381 get_value(Centroid self, ObjectKey a0) -> Object
4382 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4383 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4384 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4385 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4387 return _IMP_core.Centroid_get_value(self, *args)
4389 def set_value(self, *args):
4391 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4392 set_value(Centroid self, IntKey a0, IMP::Int a1)
4393 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4394 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4395 set_value(Centroid self, StringKey a0, IMP::String a1)
4396 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4397 set_value(Centroid self, ObjectKey a0, Object a1)
4398 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4399 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4400 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4401 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4403 return _IMP_core.Centroid_set_value(self, *args)
4405 def remove_attribute(self, *args):
4407 remove_attribute(Centroid self, FloatKey a0)
4408 remove_attribute(Centroid self, IntKey a0)
4409 remove_attribute(Centroid self, FloatsKey a0)
4410 remove_attribute(Centroid self, IntsKey a0)
4411 remove_attribute(Centroid self, StringKey a0)
4412 remove_attribute(Centroid self, ParticleIndexKey a0)
4413 remove_attribute(Centroid self, ObjectKey a0)
4414 remove_attribute(Centroid self, SparseFloatKey a0)
4415 remove_attribute(Centroid self, SparseIntKey a0)
4416 remove_attribute(Centroid self, SparseStringKey a0)
4417 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4419 return _IMP_core.Centroid_remove_attribute(self, *args)
4421 def has_attribute(self, *args):
4423 has_attribute(Centroid self, FloatKey a0) -> bool
4424 has_attribute(Centroid self, IntKey a0) -> bool
4425 has_attribute(Centroid self, FloatsKey a0) -> bool
4426 has_attribute(Centroid self, IntsKey a0) -> bool
4427 has_attribute(Centroid self, StringKey a0) -> bool
4428 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4429 has_attribute(Centroid self, ObjectKey a0) -> bool
4430 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4431 has_attribute(Centroid self, SparseIntKey a0) -> bool
4432 has_attribute(Centroid self, SparseStringKey a0) -> bool
4433 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4435 return _IMP_core.Centroid_has_attribute(self, *args)
4437 def get_derivative(self, a0):
4438 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4439 return _IMP_core.Centroid_get_derivative(self, a0)
4442 r"""get_name(Centroid self) -> std::string"""
4443 return _IMP_core.Centroid_get_name(self)
4445 def clear_caches(self):
4446 r"""clear_caches(Centroid self)"""
4447 return _IMP_core.Centroid_clear_caches(self)
4449 def set_name(self, a0):
4450 r"""set_name(Centroid self, std::string a0)"""
4451 return _IMP_core.Centroid_set_name(self, a0)
4454 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4455 return _IMP_core.Centroid_set_check_level(self, a0)
4457 def add_to_derivative(self, a0, a1, a2):
4458 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4459 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4461 def set_is_optimized(self, a0, a1):
4462 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4463 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4465 def get_is_optimized(self, a0):
4466 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4467 return _IMP_core.Centroid_get_is_optimized(self, a0)
4470 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4471 return _IMP_core.Centroid_get_check_level(self)
4473 def __eq__(self, *args):
4475 __eq__(Centroid self, Centroid o) -> bool
4476 __eq__(Centroid self, Particle d) -> bool
4478 return _IMP_core.Centroid___eq__(self, *args)
4480 def __ne__(self, *args):
4482 __ne__(Centroid self, Centroid o) -> bool
4483 __ne__(Centroid self, Particle d) -> bool
4485 return _IMP_core.Centroid___ne__(self, *args)
4487 def __le__(self, *args):
4489 __le__(Centroid self, Centroid o) -> bool
4490 __le__(Centroid self, Particle d) -> bool
4492 return _IMP_core.Centroid___le__(self, *args)
4494 def __lt__(self, *args):
4496 __lt__(Centroid self, Centroid o) -> bool
4497 __lt__(Centroid self, Particle d) -> bool
4499 return _IMP_core.Centroid___lt__(self, *args)
4501 def __ge__(self, *args):
4503 __ge__(Centroid self, Centroid o) -> bool
4504 __ge__(Centroid self, Particle d) -> bool
4506 return _IMP_core.Centroid___ge__(self, *args)
4508 def __gt__(self, *args):
4510 __gt__(Centroid self, Centroid o) -> bool
4511 __gt__(Centroid self, Particle d) -> bool
4513 return _IMP_core.Centroid___gt__(self, *args)
4516 r"""__hash__(Centroid self) -> std::size_t"""
4517 return _IMP_core.Centroid___hash__(self)
4520 r"""__str__(Centroid self) -> std::string"""
4521 return _IMP_core.Centroid___str__(self)
4524 r"""__repr__(Centroid self) -> std::string"""
4525 return _IMP_core.Centroid___repr__(self)
4527 def _get_as_binary(self):
4528 r"""_get_as_binary(Centroid self) -> PyObject *"""
4529 return _IMP_core.Centroid__get_as_binary(self)
4531 def _set_from_binary(self, p):
4532 r"""_set_from_binary(Centroid self, PyObject * p)"""
4533 return _IMP_core.Centroid__set_from_binary(self, p)
4535 def __getstate__(self):
4536 p = self._get_as_binary()
4537 if len(self.__dict__) > 1:
4538 d = self.__dict__.copy()
4543 def __setstate__(self, p):
4544 if not hasattr(self,
'this'):
4546 if isinstance(p, tuple):
4548 self.__dict__.update(d)
4549 return self._set_from_binary(p)
4551 __swig_destroy__ = _IMP_core.delete_Centroid
4554 _IMP_core.Centroid_swigregister(Centroid)
4556 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4560 def __init__(self, *args):
4562 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4563 __init__(ChecksScoreState self) -> ChecksScoreState
4565 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4567 def get_number_of_checked(self):
4568 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4569 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4571 def do_before_evaluate(self):
4572 r"""do_before_evaluate(ChecksScoreState self)"""
4573 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4575 def do_after_evaluate(self, da):
4576 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4577 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4579 def do_get_outputs(self):
4580 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4581 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4583 def do_get_inputs(self):
4584 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4585 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4587 def get_version_info(self):
4588 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4589 return _IMP_core.ChecksScoreState_get_version_info(self)
4590 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4593 r"""__str__(ChecksScoreState self) -> std::string"""
4594 return _IMP_core.ChecksScoreState___str__(self)
4597 r"""__repr__(ChecksScoreState self) -> std::string"""
4598 return _IMP_core.ChecksScoreState___repr__(self)
4602 return _object_cast_to_ChecksScoreState(o)
4605 def _get_as_binary(self):
4606 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4607 return _IMP_core.ChecksScoreState__get_as_binary(self)
4609 def _set_from_binary(self, p):
4610 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4611 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4613 def __getstate__(self):
4614 p = self._get_as_binary()
4615 if len(self.__dict__) > 1:
4616 d = self.__dict__.copy()
4621 def __setstate__(self, p):
4622 if not hasattr(self,
'this'):
4624 if isinstance(p, tuple):
4626 self.__dict__.update(d)
4627 return self._set_from_binary(p)
4631 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4633 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4637 def __init__(self, tr):
4638 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4639 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4641 def do_get_inputs(self, m, pis):
4642 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4643 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4645 def get_version_info(self):
4646 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4647 return _IMP_core.ChildrenRefiner_get_version_info(self)
4648 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4651 r"""__str__(ChildrenRefiner self) -> std::string"""
4652 return _IMP_core.ChildrenRefiner___str__(self)
4655 r"""__repr__(ChildrenRefiner self) -> std::string"""
4656 return _IMP_core.ChildrenRefiner___repr__(self)
4660 return _object_cast_to_ChildrenRefiner(o)
4664 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4666 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4668 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4670 def __init__(self, values, minrange, spacing):
4671 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4672 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4674 def get_version_info(self):
4675 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4676 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4677 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4679 def do_show(self, out):
4680 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4681 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4684 r"""__str__(ClosedCubicSpline self) -> std::string"""
4685 return _IMP_core.ClosedCubicSpline___str__(self)
4688 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4689 return _IMP_core.ClosedCubicSpline___repr__(self)
4693 return _object_cast_to_ClosedCubicSpline(o)
4697 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4699 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4703 def __init__(self, f, r, k=1):
4704 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4705 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4707 def get_close_pairs(self, pp):
4708 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4709 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4711 def create_current_decomposition(self, m, vt):
4712 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4713 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4715 def do_get_inputs(self, m, pis):
4716 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4717 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4719 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4720 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"""
4721 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4723 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4724 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"""
4725 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4727 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4728 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"""
4729 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4731 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4732 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"""
4733 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4735 def get_version_info(self):
4736 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4737 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4738 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4741 r"""__str__(KClosePairsPairScore self) -> std::string"""
4742 return _IMP_core.KClosePairsPairScore___str__(self)
4745 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4746 return _IMP_core.KClosePairsPairScore___repr__(self)
4750 return _object_cast_to_KClosePairsPairScore(o)
4754 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4756 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4758 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4760 def __init__(self, f, r, max_distance):
4761 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4762 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4764 def get_close_pairs(self, pp):
4765 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4766 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4768 def create_current_decomposition(self, m, vt):
4769 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4770 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4772 def do_get_inputs(self, m, pis):
4773 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4774 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4776 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4777 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"""
4778 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4780 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4781 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"""
4782 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4784 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4785 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"""
4786 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4788 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4789 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"""
4790 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4792 def get_version_info(self):
4793 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4794 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4795 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4798 r"""__str__(ClosePairsPairScore self) -> std::string"""
4799 return _IMP_core.ClosePairsPairScore___str__(self)
4802 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4803 return _IMP_core.ClosePairsPairScore___repr__(self)
4807 return _object_cast_to_ClosePairsPairScore(o)
4811 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4813 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4815 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4817 def __init__(self, *args):
4819 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4820 __init__(ConjugateGradients self) -> ConjugateGradients
4822 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4824 def set_gradient_threshold(self, t):
4825 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4826 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4828 def set_max_change(self, t):
4829 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4830 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4832 def do_optimize(self, max_steps):
4833 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4834 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4836 def get_version_info(self):
4837 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4838 return _IMP_core.ConjugateGradients_get_version_info(self)
4839 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4842 r"""__str__(ConjugateGradients self) -> std::string"""
4843 return _IMP_core.ConjugateGradients___str__(self)
4846 r"""__repr__(ConjugateGradients self) -> std::string"""
4847 return _IMP_core.ConjugateGradients___repr__(self)
4851 return _object_cast_to_ConjugateGradients(o)
4854 def _get_as_binary(self):
4855 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4856 return _IMP_core.ConjugateGradients__get_as_binary(self)
4858 def _set_from_binary(self, p):
4859 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4860 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4862 def __getstate__(self):
4863 p = self._get_as_binary()
4864 if len(self.__dict__) > 1:
4865 d = self.__dict__.copy()
4870 def __setstate__(self, p):
4871 if not hasattr(self,
'this'):
4873 if isinstance(p, tuple):
4875 self.__dict__.update(d)
4876 return self._set_from_binary(p)
4880 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
4882 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
4884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4886 def __init__(self, ps, sc):
4887 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
4888 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
4890 def get_connected_index_pairs(self):
4891 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
4892 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
4894 def get_pair_score(self):
4895 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
4896 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
4898 def do_create_current_decomposition(self):
4899 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
4900 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
4902 def do_get_inputs(self):
4903 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
4904 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
4906 def get_version_info(self):
4907 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
4908 return _IMP_core.ConnectivityRestraint_get_version_info(self)
4909 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
4912 r"""__str__(ConnectivityRestraint self) -> std::string"""
4913 return _IMP_core.ConnectivityRestraint___str__(self)
4916 r"""__repr__(ConnectivityRestraint self) -> std::string"""
4917 return _IMP_core.ConnectivityRestraint___repr__(self)
4921 return _object_cast_to_ConnectivityRestraint(o)
4925 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
4927 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
4929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4931 def __init__(self, *args):
4933 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
4934 __init__(ConstantRestraint self) -> ConstantRestraint
4936 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
4938 def do_get_inputs(self):
4939 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
4940 return _IMP_core.ConstantRestraint_do_get_inputs(self)
4942 def get_version_info(self):
4943 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
4944 return _IMP_core.ConstantRestraint_get_version_info(self)
4945 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
4948 r"""__str__(ConstantRestraint self) -> std::string"""
4949 return _IMP_core.ConstantRestraint___str__(self)
4952 r"""__repr__(ConstantRestraint self) -> std::string"""
4953 return _IMP_core.ConstantRestraint___repr__(self)
4957 return _object_cast_to_ConstantRestraint(o)
4960 def _get_as_binary(self):
4961 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
4962 return _IMP_core.ConstantRestraint__get_as_binary(self)
4964 def _set_from_binary(self, p):
4965 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
4966 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
4968 def __getstate__(self):
4969 p = self._get_as_binary()
4970 if len(self.__dict__) > 1:
4971 d = self.__dict__.copy()
4976 def __setstate__(self, p):
4977 if not hasattr(self,
'this'):
4979 if isinstance(p, tuple):
4981 self.__dict__.update(d)
4982 return self._set_from_binary(p)
4986 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
4988 r"""Proxy of C++ IMP::core::Cosine class."""
4990 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4992 def __init__(self, *args):
4994 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
4995 __init__(Cosine self) -> Cosine
4997 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
4999 def get_force_constant(self):
5000 r"""get_force_constant(Cosine self) -> IMP::Float"""
5001 return _IMP_core.Cosine_get_force_constant(self)
5003 def get_periodicity(self):
5004 r"""get_periodicity(Cosine self) -> int"""
5005 return _IMP_core.Cosine_get_periodicity(self)
5007 def get_phase(self):
5008 r"""get_phase(Cosine self) -> IMP::Float"""
5009 return _IMP_core.Cosine_get_phase(self)
5011 def get_version_info(self):
5012 r"""get_version_info(Cosine self) -> VersionInfo"""
5013 return _IMP_core.Cosine_get_version_info(self)
5014 __swig_destroy__ = _IMP_core.delete_Cosine
5016 def do_show(self, out):
5017 r"""do_show(Cosine self, _ostream out)"""
5018 return _IMP_core.Cosine_do_show(self, out)
5021 r"""__str__(Cosine self) -> std::string"""
5022 return _IMP_core.Cosine___str__(self)
5025 r"""__repr__(Cosine self) -> std::string"""
5026 return _IMP_core.Cosine___repr__(self)
5030 return _object_cast_to_Cosine(o)
5033 def _get_as_binary(self):
5034 r"""_get_as_binary(Cosine self) -> PyObject *"""
5035 return _IMP_core.Cosine__get_as_binary(self)
5037 def _set_from_binary(self, p):
5038 r"""_set_from_binary(Cosine self, PyObject * p)"""
5039 return _IMP_core.Cosine__set_from_binary(self, p)
5041 def __getstate__(self):
5042 p = self._get_as_binary()
5043 if len(self.__dict__) > 1:
5044 d = self.__dict__.copy()
5049 def __setstate__(self, p):
5050 if not hasattr(self,
'this'):
5052 if isinstance(p, tuple):
5054 self.__dict__.update(d)
5055 return self._set_from_binary(p)
5060 import jax.numpy
as jnp
5061 def score(val, k, period, phase):
5062 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5063 return functools.partial(score, k=self.get_force_constant(),
5064 period=self.get_periodicity(),
5065 phase=self.get_phase())
5069 _IMP_core.Cosine_swigregister(Cosine)
5071 r"""Proxy of C++ IMP::core::CoverRefined class."""
5073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5075 def __init__(self, ref, slack=0):
5076 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5077 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5079 def set_slack(self, slack):
5080 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5081 return _IMP_core.CoverRefined_set_slack(self, slack)
5083 def do_get_inputs(self, m, pis):
5084 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5085 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5087 def do_get_outputs(self, m, pis):
5088 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5089 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5091 def get_version_info(self):
5092 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5093 return _IMP_core.CoverRefined_get_version_info(self)
5094 __swig_destroy__ = _IMP_core.delete_CoverRefined
5097 r"""__str__(CoverRefined self) -> std::string"""
5098 return _IMP_core.CoverRefined___str__(self)
5101 r"""__repr__(CoverRefined self) -> std::string"""
5102 return _IMP_core.CoverRefined___repr__(self)
5106 return _object_cast_to_CoverRefined(o)
5110 _IMP_core.CoverRefined_swigregister(CoverRefined)
5112 r"""Proxy of C++ IMP::core::Cover class."""
5114 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5116 def get_constraint(self):
5117 r"""get_constraint(Cover self) -> Constraint"""
5118 return _IMP_core.Cover_get_constraint(self)
5120 def __init__(self, *args):
5122 __init__(Cover self) -> Cover
5123 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5124 __init__(Cover self, _ParticleAdaptor d) -> Cover
5126 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5128 def show(self, *args):
5129 r"""show(Cover self, _ostream out=std::cout)"""
5130 return _IMP_core.Cover_show(self, *args)
5133 def setup_particle(*args):
5135 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5136 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5137 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5138 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5140 return _IMP_core.Cover_setup_particle(*args)
5143 def get_is_setup(*args):
5145 get_is_setup(_ParticleAdaptor p) -> bool
5146 get_is_setup(Model m, ParticleIndex pi) -> bool
5148 return _IMP_core.Cover_get_is_setup(*args)
5150 def add_attribute(self, *args):
5152 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5153 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5154 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5155 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5156 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5157 add_attribute(Cover self, StringKey a0, IMP::String a1)
5158 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5159 add_attribute(Cover self, ObjectKey a0, Object a1)
5160 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5161 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5162 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5163 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5165 return _IMP_core.Cover_add_attribute(self, *args)
5167 def get_value(self, *args):
5169 get_value(Cover self, FloatKey a0) -> IMP::Float
5170 get_value(Cover self, IntKey a0) -> IMP::Int
5171 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5172 get_value(Cover self, IntsKey a0) -> IMP::Ints
5173 get_value(Cover self, StringKey a0) -> IMP::String
5174 get_value(Cover self, ParticleIndexKey a0) -> Particle
5175 get_value(Cover self, ObjectKey a0) -> Object
5176 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5177 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5178 get_value(Cover self, SparseStringKey a0) -> IMP::String
5179 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5181 return _IMP_core.Cover_get_value(self, *args)
5183 def set_value(self, *args):
5185 set_value(Cover self, FloatKey a0, IMP::Float a1)
5186 set_value(Cover self, IntKey a0, IMP::Int a1)
5187 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5188 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5189 set_value(Cover self, StringKey a0, IMP::String a1)
5190 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5191 set_value(Cover self, ObjectKey a0, Object a1)
5192 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5193 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5194 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5195 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5197 return _IMP_core.Cover_set_value(self, *args)
5199 def remove_attribute(self, *args):
5201 remove_attribute(Cover self, FloatKey a0)
5202 remove_attribute(Cover self, IntKey a0)
5203 remove_attribute(Cover self, FloatsKey a0)
5204 remove_attribute(Cover self, IntsKey a0)
5205 remove_attribute(Cover self, StringKey a0)
5206 remove_attribute(Cover self, ParticleIndexKey a0)
5207 remove_attribute(Cover self, ObjectKey a0)
5208 remove_attribute(Cover self, SparseFloatKey a0)
5209 remove_attribute(Cover self, SparseIntKey a0)
5210 remove_attribute(Cover self, SparseStringKey a0)
5211 remove_attribute(Cover self, SparseParticleIndexKey a0)
5213 return _IMP_core.Cover_remove_attribute(self, *args)
5215 def has_attribute(self, *args):
5217 has_attribute(Cover self, FloatKey a0) -> bool
5218 has_attribute(Cover self, IntKey a0) -> bool
5219 has_attribute(Cover self, FloatsKey a0) -> bool
5220 has_attribute(Cover self, IntsKey a0) -> bool
5221 has_attribute(Cover self, StringKey a0) -> bool
5222 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5223 has_attribute(Cover self, ObjectKey a0) -> bool
5224 has_attribute(Cover self, SparseFloatKey a0) -> bool
5225 has_attribute(Cover self, SparseIntKey a0) -> bool
5226 has_attribute(Cover self, SparseStringKey a0) -> bool
5227 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5229 return _IMP_core.Cover_has_attribute(self, *args)
5231 def get_derivative(self, a0):
5232 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5233 return _IMP_core.Cover_get_derivative(self, a0)
5236 r"""get_name(Cover self) -> std::string"""
5237 return _IMP_core.Cover_get_name(self)
5239 def clear_caches(self):
5240 r"""clear_caches(Cover self)"""
5241 return _IMP_core.Cover_clear_caches(self)
5243 def set_name(self, a0):
5244 r"""set_name(Cover self, std::string a0)"""
5245 return _IMP_core.Cover_set_name(self, a0)
5248 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5249 return _IMP_core.Cover_set_check_level(self, a0)
5251 def add_to_derivative(self, a0, a1, a2):
5252 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5253 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5255 def set_is_optimized(self, a0, a1):
5256 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5257 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5259 def get_is_optimized(self, a0):
5260 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5261 return _IMP_core.Cover_get_is_optimized(self, a0)
5264 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5265 return _IMP_core.Cover_get_check_level(self)
5267 def __eq__(self, *args):
5269 __eq__(Cover self, Cover o) -> bool
5270 __eq__(Cover self, Particle d) -> bool
5272 return _IMP_core.Cover___eq__(self, *args)
5274 def __ne__(self, *args):
5276 __ne__(Cover self, Cover o) -> bool
5277 __ne__(Cover self, Particle d) -> bool
5279 return _IMP_core.Cover___ne__(self, *args)
5281 def __le__(self, *args):
5283 __le__(Cover self, Cover o) -> bool
5284 __le__(Cover self, Particle d) -> bool
5286 return _IMP_core.Cover___le__(self, *args)
5288 def __lt__(self, *args):
5290 __lt__(Cover self, Cover o) -> bool
5291 __lt__(Cover self, Particle d) -> bool
5293 return _IMP_core.Cover___lt__(self, *args)
5295 def __ge__(self, *args):
5297 __ge__(Cover self, Cover o) -> bool
5298 __ge__(Cover self, Particle d) -> bool
5300 return _IMP_core.Cover___ge__(self, *args)
5302 def __gt__(self, *args):
5304 __gt__(Cover self, Cover o) -> bool
5305 __gt__(Cover self, Particle d) -> bool
5307 return _IMP_core.Cover___gt__(self, *args)
5310 r"""__hash__(Cover self) -> std::size_t"""
5311 return _IMP_core.Cover___hash__(self)
5314 r"""__str__(Cover self) -> std::string"""
5315 return _IMP_core.Cover___str__(self)
5318 r"""__repr__(Cover self) -> std::string"""
5319 return _IMP_core.Cover___repr__(self)
5321 def _get_as_binary(self):
5322 r"""_get_as_binary(Cover self) -> PyObject *"""
5323 return _IMP_core.Cover__get_as_binary(self)
5325 def _set_from_binary(self, p):
5326 r"""_set_from_binary(Cover self, PyObject * p)"""
5327 return _IMP_core.Cover__set_from_binary(self, p)
5329 def __getstate__(self):
5330 p = self._get_as_binary()
5331 if len(self.__dict__) > 1:
5332 d = self.__dict__.copy()
5337 def __setstate__(self, p):
5338 if not hasattr(self,
'this'):
5340 if isinstance(p, tuple):
5342 self.__dict__.update(d)
5343 return self._set_from_binary(p)
5345 __swig_destroy__ = _IMP_core.delete_Cover
5348 _IMP_core.Cover_swigregister(Cover)
5350 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5352 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5354 def __init__(self, *args):
5355 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5356 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5358 def do_get_inputs(self, m, pis):
5359 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5360 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5362 def do_get_outputs(self, m, pis):
5363 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5364 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5366 def get_version_info(self):
5367 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5368 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5369 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5372 r"""__str__(DerivativesFromRefined self) -> std::string"""
5373 return _IMP_core.DerivativesFromRefined___str__(self)
5376 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5377 return _IMP_core.DerivativesFromRefined___repr__(self)
5381 return _object_cast_to_DerivativesFromRefined(o)
5385 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5387 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5389 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5391 def __init__(self, *args):
5392 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5393 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5395 def do_get_inputs(self, m, pis):
5396 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5397 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5399 def do_get_outputs(self, m, pis):
5400 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5401 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5403 def get_version_info(self):
5404 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5405 return _IMP_core.DerivativesToRefined_get_version_info(self)
5406 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5409 r"""__str__(DerivativesToRefined self) -> std::string"""
5410 return _IMP_core.DerivativesToRefined___str__(self)
5413 r"""__repr__(DerivativesToRefined self) -> std::string"""
5414 return _IMP_core.DerivativesToRefined___repr__(self)
5418 return _object_cast_to_DerivativesToRefined(o)
5422 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5424 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5426 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5428 def __init__(self, f, sc, diameter):
5429 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5430 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5432 def do_get_inputs(self):
5433 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5434 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5436 def get_version_info(self):
5437 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5438 return _IMP_core.DiameterRestraint_get_version_info(self)
5439 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5441 def do_create_decomposition(self):
5442 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5443 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5445 def do_create_current_decomposition(self):
5446 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5447 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5450 r"""__str__(DiameterRestraint self) -> std::string"""
5451 return _IMP_core.DiameterRestraint___str__(self)
5454 r"""__repr__(DiameterRestraint self) -> std::string"""
5455 return _IMP_core.DiameterRestraint___repr__(self)
5459 return _object_cast_to_DiameterRestraint(o)
5463 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5465 r"""Proxy of C++ IMP::core::Transform class."""
5467 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5469 def __init__(self, *args):
5471 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5472 __init__(Transform self) -> Transform
5474 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5476 def do_get_inputs(self, m, pis):
5477 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5478 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5480 def do_get_outputs(self, m, pis):
5481 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5482 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5484 def get_version_info(self):
5485 r"""get_version_info(Transform self) -> VersionInfo"""
5486 return _IMP_core.Transform_get_version_info(self)
5487 __swig_destroy__ = _IMP_core.delete_Transform
5490 r"""__str__(Transform self) -> std::string"""
5491 return _IMP_core.Transform___str__(self)
5494 r"""__repr__(Transform self) -> std::string"""
5495 return _IMP_core.Transform___repr__(self)
5499 return _object_cast_to_Transform(o)
5502 def _get_as_binary(self):
5503 r"""_get_as_binary(Transform self) -> PyObject *"""
5504 return _IMP_core.Transform__get_as_binary(self)
5506 def _set_from_binary(self, p):
5507 r"""_set_from_binary(Transform self, PyObject * p)"""
5508 return _IMP_core.Transform__set_from_binary(self, p)
5510 def __getstate__(self):
5511 p = self._get_as_binary()
5512 if len(self.__dict__) > 1:
5513 d = self.__dict__.copy()
5518 def __setstate__(self, p):
5519 if not hasattr(self,
'this'):
5521 if isinstance(p, tuple):
5523 self.__dict__.update(d)
5524 return self._set_from_binary(p)
5528 _IMP_core.Transform_swigregister(Transform)
5530 r"""Proxy of C++ IMP::core::Reference class."""
5532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5534 def __init__(self, *args):
5536 __init__(Reference self) -> Reference
5537 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5538 __init__(Reference self, _ParticleAdaptor d) -> Reference
5540 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5542 def show(self, *args):
5543 r"""show(Reference self, _ostream out=std::cout)"""
5544 return _IMP_core.Reference_show(self, *args)
5547 def setup_particle(*args):
5549 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5550 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5552 return _IMP_core.Reference_setup_particle(*args)
5554 def get_reference_particle(self):
5555 r"""get_reference_particle(Reference self) -> Particle"""
5556 return _IMP_core.Reference_get_reference_particle(self)
5559 def get_is_setup(*args):
5561 get_is_setup(_ParticleAdaptor p) -> bool
5562 get_is_setup(Model m, ParticleIndex pi) -> bool
5564 return _IMP_core.Reference_get_is_setup(*args)
5567 def get_reference_key():
5568 r"""get_reference_key() -> ParticleIndexKey"""
5569 return _IMP_core.Reference_get_reference_key()
5571 def add_attribute(self, *args):
5573 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5574 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5575 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5576 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5577 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5578 add_attribute(Reference self, StringKey a0, IMP::String a1)
5579 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5580 add_attribute(Reference self, ObjectKey a0, Object a1)
5581 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5582 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5583 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5584 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5586 return _IMP_core.Reference_add_attribute(self, *args)
5588 def get_value(self, *args):
5590 get_value(Reference self, FloatKey a0) -> IMP::Float
5591 get_value(Reference self, IntKey a0) -> IMP::Int
5592 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5593 get_value(Reference self, IntsKey a0) -> IMP::Ints
5594 get_value(Reference self, StringKey a0) -> IMP::String
5595 get_value(Reference self, ParticleIndexKey a0) -> Particle
5596 get_value(Reference self, ObjectKey a0) -> Object
5597 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5598 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5599 get_value(Reference self, SparseStringKey a0) -> IMP::String
5600 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5602 return _IMP_core.Reference_get_value(self, *args)
5604 def set_value(self, *args):
5606 set_value(Reference self, FloatKey a0, IMP::Float a1)
5607 set_value(Reference self, IntKey a0, IMP::Int a1)
5608 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5609 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5610 set_value(Reference self, StringKey a0, IMP::String a1)
5611 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5612 set_value(Reference self, ObjectKey a0, Object a1)
5613 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5614 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5615 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5616 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5618 return _IMP_core.Reference_set_value(self, *args)
5620 def remove_attribute(self, *args):
5622 remove_attribute(Reference self, FloatKey a0)
5623 remove_attribute(Reference self, IntKey a0)
5624 remove_attribute(Reference self, FloatsKey a0)
5625 remove_attribute(Reference self, IntsKey a0)
5626 remove_attribute(Reference self, StringKey a0)
5627 remove_attribute(Reference self, ParticleIndexKey a0)
5628 remove_attribute(Reference self, ObjectKey a0)
5629 remove_attribute(Reference self, SparseFloatKey a0)
5630 remove_attribute(Reference self, SparseIntKey a0)
5631 remove_attribute(Reference self, SparseStringKey a0)
5632 remove_attribute(Reference self, SparseParticleIndexKey a0)
5634 return _IMP_core.Reference_remove_attribute(self, *args)
5636 def has_attribute(self, *args):
5638 has_attribute(Reference self, FloatKey a0) -> bool
5639 has_attribute(Reference self, IntKey a0) -> bool
5640 has_attribute(Reference self, FloatsKey a0) -> bool
5641 has_attribute(Reference self, IntsKey a0) -> bool
5642 has_attribute(Reference self, StringKey a0) -> bool
5643 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5644 has_attribute(Reference self, ObjectKey a0) -> bool
5645 has_attribute(Reference self, SparseFloatKey a0) -> bool
5646 has_attribute(Reference self, SparseIntKey a0) -> bool
5647 has_attribute(Reference self, SparseStringKey a0) -> bool
5648 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5650 return _IMP_core.Reference_has_attribute(self, *args)
5652 def get_derivative(self, a0):
5653 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5654 return _IMP_core.Reference_get_derivative(self, a0)
5657 r"""get_name(Reference self) -> std::string"""
5658 return _IMP_core.Reference_get_name(self)
5660 def clear_caches(self):
5661 r"""clear_caches(Reference self)"""
5662 return _IMP_core.Reference_clear_caches(self)
5664 def set_name(self, a0):
5665 r"""set_name(Reference self, std::string a0)"""
5666 return _IMP_core.Reference_set_name(self, a0)
5669 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5670 return _IMP_core.Reference_set_check_level(self, a0)
5672 def add_to_derivative(self, a0, a1, a2):
5673 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5674 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5676 def set_is_optimized(self, a0, a1):
5677 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5678 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5680 def get_is_optimized(self, a0):
5681 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5682 return _IMP_core.Reference_get_is_optimized(self, a0)
5685 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5686 return _IMP_core.Reference_get_check_level(self)
5688 def __eq__(self, *args):
5690 __eq__(Reference self, Reference o) -> bool
5691 __eq__(Reference self, Particle d) -> bool
5693 return _IMP_core.Reference___eq__(self, *args)
5695 def __ne__(self, *args):
5697 __ne__(Reference self, Reference o) -> bool
5698 __ne__(Reference self, Particle d) -> bool
5700 return _IMP_core.Reference___ne__(self, *args)
5702 def __le__(self, *args):
5704 __le__(Reference self, Reference o) -> bool
5705 __le__(Reference self, Particle d) -> bool
5707 return _IMP_core.Reference___le__(self, *args)
5709 def __lt__(self, *args):
5711 __lt__(Reference self, Reference o) -> bool
5712 __lt__(Reference self, Particle d) -> bool
5714 return _IMP_core.Reference___lt__(self, *args)
5716 def __ge__(self, *args):
5718 __ge__(Reference self, Reference o) -> bool
5719 __ge__(Reference self, Particle d) -> bool
5721 return _IMP_core.Reference___ge__(self, *args)
5723 def __gt__(self, *args):
5725 __gt__(Reference self, Reference o) -> bool
5726 __gt__(Reference self, Particle d) -> bool
5728 return _IMP_core.Reference___gt__(self, *args)
5731 r"""__hash__(Reference self) -> std::size_t"""
5732 return _IMP_core.Reference___hash__(self)
5735 r"""__str__(Reference self) -> std::string"""
5736 return _IMP_core.Reference___str__(self)
5739 r"""__repr__(Reference self) -> std::string"""
5740 return _IMP_core.Reference___repr__(self)
5742 def _get_as_binary(self):
5743 r"""_get_as_binary(Reference self) -> PyObject *"""
5744 return _IMP_core.Reference__get_as_binary(self)
5746 def _set_from_binary(self, p):
5747 r"""_set_from_binary(Reference self, PyObject * p)"""
5748 return _IMP_core.Reference__set_from_binary(self, p)
5750 def __getstate__(self):
5751 p = self._get_as_binary()
5752 if len(self.__dict__) > 1:
5753 d = self.__dict__.copy()
5758 def __setstate__(self, p):
5759 if not hasattr(self,
'this'):
5761 if isinstance(p, tuple):
5763 self.__dict__.update(d)
5764 return self._set_from_binary(p)
5766 __swig_destroy__ = _IMP_core.delete_Reference
5769 _IMP_core.Reference_swigregister(Reference)
5771 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5773 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5775 def __init__(self, t, r):
5776 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5777 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5779 def do_get_inputs(self, m, pis):
5780 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5781 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5783 def do_get_outputs(self, m, pis):
5784 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5785 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5787 def get_version_info(self):
5788 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5789 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5790 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5793 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5794 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5797 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5798 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5802 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5806 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5808 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5810 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5812 def __init__(self, *args):
5814 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5815 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5817 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5819 def get_transformation(self):
5820 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5821 return _IMP_core.TransformationSymmetry_get_transformation(self)
5823 def set_transformation(self, t):
5824 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5825 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5827 def do_get_inputs(self, m, pis):
5828 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5829 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5831 def do_get_outputs(self, m, pis):
5832 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5833 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5835 def get_version_info(self):
5836 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5837 return _IMP_core.TransformationSymmetry_get_version_info(self)
5838 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5841 r"""__str__(TransformationSymmetry self) -> std::string"""
5842 return _IMP_core.TransformationSymmetry___str__(self)
5845 r"""__repr__(TransformationSymmetry self) -> std::string"""
5846 return _IMP_core.TransformationSymmetry___repr__(self)
5850 return _object_cast_to_TransformationSymmetry(o)
5854 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5855 class TransformationSymmetryMover(MonteCarloMover):
5856 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5858 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5860 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5861 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5862 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5864 def set_maximum_translation(self, mt):
5865 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5866 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5868 def set_maximum_rotation(self, mr):
5869 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5870 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5872 def get_maximum_translation(self):
5873 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5874 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5876 def get_maximum_rotation(self):
5877 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5878 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5880 def get_version_info(self):
5881 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5882 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
5883 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
5886 r"""__str__(TransformationSymmetryMover self) -> std::string"""
5887 return _IMP_core.TransformationSymmetryMover___str__(self)
5890 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
5891 return _IMP_core.TransformationSymmetryMover___repr__(self)
5895 return _object_cast_to_TransformationSymmetryMover(o)
5899 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
5901 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
5903 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5905 def __init__(self, m, score_func, p1, p2, p3, p4):
5906 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
5907 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
5909 def do_get_inputs(self):
5910 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
5911 return _IMP_core.DihedralRestraint_do_get_inputs(self)
5913 def get_version_info(self):
5914 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
5915 return _IMP_core.DihedralRestraint_get_version_info(self)
5916 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
5919 r"""__str__(DihedralRestraint self) -> std::string"""
5920 return _IMP_core.DihedralRestraint___str__(self)
5923 r"""__repr__(DihedralRestraint self) -> std::string"""
5924 return _IMP_core.DihedralRestraint___repr__(self)
5928 return _object_cast_to_DihedralRestraint(o)
5932 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
5934 r"""Proxy of C++ IMP::core::DistancePairScore class."""
5936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5938 def __init__(self, *args):
5940 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
5941 __init__(DistancePairScore self) -> DistancePairScore
5943 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
5945 def do_get_inputs(self, m, pis):
5946 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5947 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
5949 def get_score_functor(self, *args):
5951 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
5952 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
5954 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
5956 def get_version_info(self):
5957 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
5958 return _IMP_core.DistancePairScore_get_version_info(self)
5959 __swig_destroy__ = _IMP_core.delete_DistancePairScore
5962 r"""__str__(DistancePairScore self) -> std::string"""
5963 return _IMP_core.DistancePairScore___str__(self)
5966 r"""__repr__(DistancePairScore self) -> std::string"""
5967 return _IMP_core.DistancePairScore___repr__(self)
5971 return _object_cast_to_DistancePairScore(o)
5974 def _get_as_binary(self):
5975 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
5976 return _IMP_core.DistancePairScore__get_as_binary(self)
5978 def _set_from_binary(self, p):
5979 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
5980 return _IMP_core.DistancePairScore__set_from_binary(self, p)
5982 def __getstate__(self):
5983 p = self._get_as_binary()
5984 if len(self.__dict__) > 1:
5985 d = self.__dict__.copy()
5990 def __setstate__(self, p):
5991 if not hasattr(self,
'this'):
5993 if isinstance(p, tuple):
5995 self.__dict__.update(d)
5996 return self._set_from_binary(p)
6000 import jax.numpy
as jnp
6002 def jax_score(jm, indexes, uf):
6003 xyzs = jm[
'xyz'][indexes]
6004 diff = xyzs[:,0] - xyzs[:,1]
6005 drs = jnp.linalg.norm(diff, axis=1)
6007 sfnc = self.get_score_functor()
6008 uf = sfnc.get_unary_function().get_derived_object()
6009 f = functools.partial(jax_score, uf=uf._get_jax())
6010 return self._wrap_jax(f)
6014 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6016 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6018 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6020 def __init__(self, *args):
6022 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6023 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6025 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6027 def do_get_inputs(self, m, pis):
6028 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6029 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6031 def get_score_functor(self, *args):
6033 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6034 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6036 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6039 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6040 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6043 r"""get_k(HarmonicDistancePairScore self) -> double"""
6044 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6046 def get_version_info(self):
6047 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6048 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6049 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6052 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6053 return _IMP_core.HarmonicDistancePairScore___str__(self)
6056 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6057 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6061 return _object_cast_to_HarmonicDistancePairScore(o)
6064 def _get_as_binary(self):
6065 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6066 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6068 def _set_from_binary(self, p):
6069 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6070 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6072 def __getstate__(self):
6073 p = self._get_as_binary()
6074 if len(self.__dict__) > 1:
6075 d = self.__dict__.copy()
6080 def __setstate__(self, p):
6081 if not hasattr(self,
'this'):
6083 if isinstance(p, tuple):
6085 self.__dict__.update(d)
6086 return self._set_from_binary(p)
6090 import jax.numpy
as jnp
6092 def jax_harmonic_distance_pair_score(jm, indexes, d, k):
6093 xyzs = jm[
'xyz'][indexes]
6094 diff = xyzs[:,0] - xyzs[:,1]
6095 drs = jnp.linalg.norm(diff, axis=1)
6096 return 0.5 * k * (d - drs)**2
6097 f = functools.partial(jax_harmonic_distance_pair_score,
6098 d=self.get_x0(), k=self.get_k())
6099 return self._wrap_jax(f)
6103 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6105 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6109 def __init__(self, *args):
6111 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6112 __init__(DistanceRestraint self) -> DistanceRestraint
6114 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6116 def get_score_object(self):
6117 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6118 return _IMP_core.DistanceRestraint_get_score_object(self)
6121 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6122 return _IMP_core.DistanceRestraint_get_index(self)
6124 def get_version_info(self):
6125 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6126 return _IMP_core.DistanceRestraint_get_version_info(self)
6127 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6130 r"""__str__(DistanceRestraint self) -> std::string"""
6131 return _IMP_core.DistanceRestraint___str__(self)
6134 r"""__repr__(DistanceRestraint self) -> std::string"""
6135 return _IMP_core.DistanceRestraint___repr__(self)
6139 return _object_cast_to_DistanceRestraint(o)
6142 def _get_as_binary(self):
6143 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6144 return _IMP_core.DistanceRestraint__get_as_binary(self)
6146 def _set_from_binary(self, p):
6147 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6148 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6150 def __getstate__(self):
6151 p = self._get_as_binary()
6152 if len(self.__dict__) > 1:
6153 d = self.__dict__.copy()
6158 def __setstate__(self, p):
6159 if not hasattr(self,
'this'):
6161 if isinstance(p, tuple):
6163 self.__dict__.update(d)
6164 return self._set_from_binary(p)
6168 import jax.numpy
as jnp
6169 ps = self.get_score_object()
6171 indexes = jnp.array([self.get_index()])
6172 return self._wrap_jax(
lambda jm: ji.score_func(jm, indexes))
6176 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6178 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6180 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6182 def __init__(self, f, pt):
6183 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6184 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6186 def do_get_inputs(self, m, pis):
6187 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6188 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6190 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6191 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"""
6192 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6194 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6195 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"""
6196 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6198 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6199 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"""
6200 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6202 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6203 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"""
6204 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6206 def get_version_info(self):
6207 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6208 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6209 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6212 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6213 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6216 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6217 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6221 return _object_cast_to_SphereDistanceToSingletonScore(o)
6225 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6227 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6231 def __init__(self, *args):
6232 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6233 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6235 def do_get_inputs(self):
6236 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6237 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6239 def get_version_info(self):
6240 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6241 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6242 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6244 def do_create_decomposition(self):
6245 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6246 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6248 def do_create_current_decomposition(self):
6249 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6250 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6253 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6254 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6255 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)
6256 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6257 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6258 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6260 def remove_pair_filter(self, d):
6261 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6262 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6264 def _python_index_pair_filter(self, d, start, stop):
6265 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6266 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6268 def remove_pair_filters(self, d):
6269 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6270 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6272 def set_pair_filters(self, ps):
6273 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6274 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6276 def set_pair_filters_order(self, objs):
6277 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6278 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6280 def add_pair_filter(self, obj):
6281 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6282 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6284 def add_pair_filters(self, objs):
6285 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6286 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6288 def clear_pair_filters(self):
6289 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6290 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6292 def get_number_of_pair_filters(self):
6293 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6294 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6296 def get_has_pair_filters(self):
6297 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6298 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6300 def get_pair_filter(self, i):
6301 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6302 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6304 def get_pair_filters(self):
6305 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6306 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6308 def erase_pair_filter(self, i):
6309 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6310 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6312 def reserve_pair_filters(self, sz):
6313 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6314 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6317 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6318 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6321 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6322 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6326 return _object_cast_to_ExcludedVolumeRestraint(o)
6330 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6332 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6336 def __init__(self, *args):
6338 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6339 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6341 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6343 def do_get_inputs(self, m, pis):
6344 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6345 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6347 def get_version_info(self):
6348 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6349 return _IMP_core.FixedRefiner_get_version_info(self)
6350 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6353 r"""__str__(FixedRefiner self) -> std::string"""
6354 return _IMP_core.FixedRefiner___str__(self)
6357 r"""__repr__(FixedRefiner self) -> std::string"""
6358 return _IMP_core.FixedRefiner___repr__(self)
6362 return _object_cast_to_FixedRefiner(o)
6366 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6367 class GridClosePairsFinder(ClosePairsFinder):
6368 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6370 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6373 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6374 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6376 def get_close_pairs(self, *args):
6378 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6379 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6380 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6381 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6383 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6385 def do_get_inputs(self, m, pis):
6386 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6387 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6389 def get_version_info(self):
6390 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6391 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6392 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6395 r"""__str__(GridClosePairsFinder self) -> std::string"""
6396 return _IMP_core.GridClosePairsFinder___str__(self)
6399 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6400 return _IMP_core.GridClosePairsFinder___repr__(self)
6404 return _object_cast_to_GridClosePairsFinder(o)
6407 def _get_as_binary(self):
6408 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6409 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6411 def _set_from_binary(self, p):
6412 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6413 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6415 def __getstate__(self):
6416 p = self._get_as_binary()
6417 if len(self.__dict__) > 1:
6418 d = self.__dict__.copy()
6423 def __setstate__(self, p):
6424 if not hasattr(self,
'this'):
6426 if isinstance(p, tuple):
6428 self.__dict__.update(d)
6429 return self._set_from_binary(p)
6433 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6435 r"""Proxy of C++ IMP::core::Harmonic class."""
6437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6439 def __init__(self, *args):
6441 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6442 __init__(Harmonic self) -> Harmonic
6444 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6446 def get_version_info(self):
6447 r"""get_version_info(Harmonic self) -> VersionInfo"""
6448 return _IMP_core.Harmonic_get_version_info(self)
6449 __swig_destroy__ = _IMP_core.delete_Harmonic
6452 r"""get_mean(Harmonic self) -> IMP::Float"""
6453 return _IMP_core.Harmonic_get_mean(self)
6456 r"""get_k(Harmonic self) -> IMP::Float"""
6457 return _IMP_core.Harmonic_get_k(self)
6459 def set_mean(self, mean):
6460 r"""set_mean(Harmonic self, IMP::Float mean)"""
6461 return _IMP_core.Harmonic_set_mean(self, mean)
6464 r"""set_k(Harmonic self, IMP::Float k)"""
6465 return _IMP_core.Harmonic_set_k(self, k)
6468 def get_k_from_standard_deviation(sd, t=297.15):
6469 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6470 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6473 r"""__str__(Harmonic self) -> std::string"""
6474 return _IMP_core.Harmonic___str__(self)
6477 r"""__repr__(Harmonic self) -> std::string"""
6478 return _IMP_core.Harmonic___repr__(self)
6482 return _object_cast_to_Harmonic(o)
6485 def _get_as_binary(self):
6486 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6487 return _IMP_core.Harmonic__get_as_binary(self)
6489 def _set_from_binary(self, p):
6490 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6491 return _IMP_core.Harmonic__set_from_binary(self, p)
6493 def __getstate__(self):
6494 p = self._get_as_binary()
6495 if len(self.__dict__) > 1:
6496 d = self.__dict__.copy()
6501 def __setstate__(self, p):
6502 if not hasattr(self,
'this'):
6504 if isinstance(p, tuple):
6506 self.__dict__.update(d)
6507 return self._set_from_binary(p)
6512 def score(val, mean, k):
6513 return 0.5 * k * (mean - val) ** 2
6514 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6518 _IMP_core.Harmonic_swigregister(Harmonic)
6520 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6524 def __init__(self, well, k):
6525 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6526 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6529 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6530 return _IMP_core.HarmonicWell_get_well(self)
6533 r"""get_k(HarmonicWell self) -> double"""
6534 return _IMP_core.HarmonicWell_get_k(self)
6536 def get_version_info(self):
6537 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6538 return _IMP_core.HarmonicWell_get_version_info(self)
6539 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6542 r"""__str__(HarmonicWell self) -> std::string"""
6543 return _IMP_core.HarmonicWell___str__(self)
6546 r"""__repr__(HarmonicWell self) -> std::string"""
6547 return _IMP_core.HarmonicWell___repr__(self)
6551 return _object_cast_to_HarmonicWell(o)
6556 import jax.numpy
as jnp
6557 def score(val, lb, ub, k):
6558 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6559 well = self.get_well()
6560 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6564 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6565 class HarmonicLowerBound(Harmonic):
6566 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6570 def __init__(self, *args):
6572 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6573 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6575 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6576 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6579 r"""__str__(HarmonicLowerBound self) -> std::string"""
6580 return _IMP_core.HarmonicLowerBound___str__(self)
6583 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6584 return _IMP_core.HarmonicLowerBound___repr__(self)
6588 return _object_cast_to_HarmonicLowerBound(o)
6591 def _get_as_binary(self):
6592 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6593 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6595 def _set_from_binary(self, p):
6596 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6597 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6599 def __getstate__(self):
6600 p = self._get_as_binary()
6601 if len(self.__dict__) > 1:
6602 d = self.__dict__.copy()
6607 def __setstate__(self, p):
6608 if not hasattr(self,
'this'):
6610 if isinstance(p, tuple):
6612 self.__dict__.update(d)
6613 return self._set_from_binary(p)
6619 def score(val, mean, k):
6620 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6621 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6625 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6626 class HarmonicUpperBound(Harmonic):
6627 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6629 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6631 def __init__(self, *args):
6633 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6634 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6636 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6637 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6640 r"""__str__(HarmonicUpperBound self) -> std::string"""
6641 return _IMP_core.HarmonicUpperBound___str__(self)
6644 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6645 return _IMP_core.HarmonicUpperBound___repr__(self)
6649 return _object_cast_to_HarmonicUpperBound(o)
6652 def _get_as_binary(self):
6653 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6654 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6656 def _set_from_binary(self, p):
6657 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6658 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6660 def __getstate__(self):
6661 p = self._get_as_binary()
6662 if len(self.__dict__) > 1:
6663 d = self.__dict__.copy()
6668 def __setstate__(self, p):
6669 if not hasattr(self,
'this'):
6671 if isinstance(p, tuple):
6673 self.__dict__.update(d)
6674 return self._set_from_binary(p)
6680 def score(val, mean, k):
6681 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6682 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6686 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6688 r"""Proxy of C++ IMP::core::WeightedSum class."""
6690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6692 def __init__(self, funcs, weights):
6693 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6694 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6696 def get_function_number(self):
6697 r"""get_function_number(WeightedSum self) -> unsigned int"""
6698 return _IMP_core.WeightedSum_get_function_number(self)
6700 def set_weights(self, weights):
6701 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6702 return _IMP_core.WeightedSum_set_weights(self, weights)
6704 def get_weights(self):
6705 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6706 return _IMP_core.WeightedSum_get_weights(self)
6708 def get_weight(self, i):
6709 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6710 return _IMP_core.WeightedSum_get_weight(self, i)
6712 def get_function(self, i):
6713 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6714 return _IMP_core.WeightedSum_get_function(self, i)
6716 def get_version_info(self):
6717 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6718 return _IMP_core.WeightedSum_get_version_info(self)
6719 __swig_destroy__ = _IMP_core.delete_WeightedSum
6722 r"""__str__(WeightedSum self) -> std::string"""
6723 return _IMP_core.WeightedSum___str__(self)
6726 r"""__repr__(WeightedSum self) -> std::string"""
6727 return _IMP_core.WeightedSum___repr__(self)
6731 return _object_cast_to_WeightedSum(o)
6736 import jax.numpy
as jnp
6737 def score(val, funcs, weights):
6738 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6739 nfunc = self.get_function_number()
6740 funcs = [self.get_function(i).get_derived_object()._get_jax()
6741 for i
in range(nfunc)]
6742 return functools.partial(score, funcs=funcs,
6743 weights=self.get_weights())
6747 _IMP_core.WeightedSum_swigregister(WeightedSum)
6749 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6753 def __init__(self, funcs, weights, denom=1.0):
6754 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6755 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6757 def get_function_number(self):
6758 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6759 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6761 def set_weights(self, weights):
6762 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6763 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6765 def get_weights(self):
6766 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6767 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6769 def get_weight(self, i):
6770 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6771 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6773 def get_function(self, i):
6774 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6775 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6777 def set_denominator(self, denom):
6778 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6779 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6781 def get_denominator(self):
6782 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6783 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6785 def get_version_info(self):
6786 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6787 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6788 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6791 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6792 return _IMP_core.WeightedSumOfExponential___str__(self)
6795 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6796 return _IMP_core.WeightedSumOfExponential___repr__(self)
6800 return _object_cast_to_WeightedSumOfExponential(o)
6805 import jax.numpy
as jnp
6806 def score(val, funcs, weights, denom):
6807 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6808 for (f, weight)
in zip(funcs, weights))
6809 return -jnp.log(exp_sum) * denom
6810 nfunc = self.get_function_number()
6811 funcs = [self.get_function(i).get_derived_object()._get_jax()
6812 for i
in range(nfunc)]
6813 return functools.partial(score, funcs=funcs,
6814 weights=self.get_weights(),
6815 denom=self.get_denominator())
6819 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6821 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6823 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6825 def __init__(self, m, ps, eps=0.1):
6826 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6827 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6829 def add_type(self, ps):
6830 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6831 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6833 def add_composite(self, *args):
6835 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6836 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6838 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6840 def get_connected_pairs(self):
6841 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6842 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6844 def get_pair_score(self):
6845 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6846 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6848 def do_create_current_decomposition(self):
6849 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6850 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6852 def do_get_inputs(self):
6853 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6854 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6856 def get_version_info(self):
6857 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6858 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6859 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6862 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6863 return _IMP_core.MSConnectivityRestraint___str__(self)
6866 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6867 return _IMP_core.MSConnectivityRestraint___repr__(self)
6871 return _object_cast_to_MSConnectivityRestraint(o)
6875 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6876 class HierarchyTraits(object):
6877 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6879 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6881 def __init__(self, *args):
6883 __init__(HierarchyTraits self) -> HierarchyTraits
6884 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6886 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6888 def get_children_key(self):
6889 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
6890 return _IMP_core.HierarchyTraits_get_children_key(self)
6892 def get_parent_key(self):
6893 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
6894 return _IMP_core.HierarchyTraits_get_parent_key(self)
6896 def __eq__(self, o):
6897 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
6898 return _IMP_core.HierarchyTraits___eq__(self, o)
6900 def show(self, *args):
6901 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
6902 return _IMP_core.HierarchyTraits_show(self, *args)
6905 r"""__str__(HierarchyTraits self) -> std::string"""
6906 return _IMP_core.HierarchyTraits___str__(self)
6909 r"""__repr__(HierarchyTraits self) -> std::string"""
6910 return _IMP_core.HierarchyTraits___repr__(self)
6911 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
6914 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
6916 r"""Proxy of C++ IMP::core::Hierarchy class."""
6918 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6920 def get_decorator_traits(self):
6921 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
6922 return _IMP_core.Hierarchy_get_decorator_traits(self)
6925 def get_default_decorator_traits():
6926 r"""get_default_decorator_traits() -> HierarchyTraits"""
6927 return _IMP_core.Hierarchy_get_default_decorator_traits()
6929 def __init__(self, *args):
6931 __init__(Hierarchy self) -> Hierarchy
6932 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6933 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6935 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
6937 def show(self, *args):
6938 r"""show(Hierarchy self, _ostream out=std::cout)"""
6939 return _IMP_core.Hierarchy_show(self, *args)
6942 def setup_particle(*args):
6944 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6945 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6946 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6947 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6948 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6949 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6951 return _IMP_core.Hierarchy_setup_particle(*args)
6954 def get_is_setup(*args):
6956 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
6957 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
6959 return _IMP_core.Hierarchy_get_is_setup(*args)
6962 def get_changed_key():
6963 r"""get_changed_key() -> TriggerKey"""
6964 return _IMP_core.Hierarchy_get_changed_key()
6966 def get_parent(self):
6967 r"""get_parent(Hierarchy self) -> Hierarchy"""
6968 return _IMP_core.Hierarchy_get_parent(self)
6970 def get_number_of_children(self):
6971 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
6972 return _IMP_core.Hierarchy_get_number_of_children(self)
6974 def get_child(self, i):
6975 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
6976 return _IMP_core.Hierarchy_get_child(self, i)
6978 def get_children_indexes(self):
6979 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
6980 return _IMP_core.Hierarchy_get_children_indexes(self)
6982 def get_children(self):
6983 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
6984 return _IMP_core.Hierarchy_get_children(self)
6986 def remove_child(self, *args):
6988 remove_child(Hierarchy self, unsigned int i)
6989 remove_child(Hierarchy self, Hierarchy h)
6991 return _IMP_core.Hierarchy_remove_child(self, *args)
6993 def clear_children(self):
6994 r"""clear_children(Hierarchy self)"""
6995 return _IMP_core.Hierarchy_clear_children(self)
6997 def add_child(self, h):
6998 r"""add_child(Hierarchy self, Hierarchy h)"""
6999 return _IMP_core.Hierarchy_add_child(self, h)
7001 def add_child_at(self, h, pos):
7002 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7003 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7005 def get_child_index(self, *args):
7007 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7008 get_child_index(Hierarchy self) -> int
7010 return _IMP_core.Hierarchy_get_child_index(self, *args)
7013 def get_default_traits():
7014 r"""get_default_traits() -> HierarchyTraits"""
7015 return _IMP_core.Hierarchy_get_default_traits()
7017 def get_traits(self):
7018 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7019 return _IMP_core.Hierarchy_get_traits(self)
7021 def add_attribute(self, *args):
7023 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7024 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7025 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7026 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7027 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7028 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7029 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7030 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7031 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7032 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7033 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7034 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7036 return _IMP_core.Hierarchy_add_attribute(self, *args)
7038 def get_value(self, *args):
7040 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7041 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7042 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7043 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7044 get_value(Hierarchy self, StringKey a0) -> IMP::String
7045 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7046 get_value(Hierarchy self, ObjectKey a0) -> Object
7047 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7048 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7049 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7050 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7052 return _IMP_core.Hierarchy_get_value(self, *args)
7054 def set_value(self, *args):
7056 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7057 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7058 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7059 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7060 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7061 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7062 set_value(Hierarchy self, ObjectKey a0, Object a1)
7063 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7064 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7065 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7066 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7068 return _IMP_core.Hierarchy_set_value(self, *args)
7070 def remove_attribute(self, *args):
7072 remove_attribute(Hierarchy self, FloatKey a0)
7073 remove_attribute(Hierarchy self, IntKey a0)
7074 remove_attribute(Hierarchy self, FloatsKey a0)
7075 remove_attribute(Hierarchy self, IntsKey a0)
7076 remove_attribute(Hierarchy self, StringKey a0)
7077 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7078 remove_attribute(Hierarchy self, ObjectKey a0)
7079 remove_attribute(Hierarchy self, SparseFloatKey a0)
7080 remove_attribute(Hierarchy self, SparseIntKey a0)
7081 remove_attribute(Hierarchy self, SparseStringKey a0)
7082 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7084 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7086 def has_attribute(self, *args):
7088 has_attribute(Hierarchy self, FloatKey a0) -> bool
7089 has_attribute(Hierarchy self, IntKey a0) -> bool
7090 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7091 has_attribute(Hierarchy self, IntsKey a0) -> bool
7092 has_attribute(Hierarchy self, StringKey a0) -> bool
7093 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7094 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7095 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7096 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7097 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7098 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7100 return _IMP_core.Hierarchy_has_attribute(self, *args)
7102 def get_derivative(self, a0):
7103 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7104 return _IMP_core.Hierarchy_get_derivative(self, a0)
7107 r"""get_name(Hierarchy self) -> std::string"""
7108 return _IMP_core.Hierarchy_get_name(self)
7110 def clear_caches(self):
7111 r"""clear_caches(Hierarchy self)"""
7112 return _IMP_core.Hierarchy_clear_caches(self)
7114 def set_name(self, a0):
7115 r"""set_name(Hierarchy self, std::string a0)"""
7116 return _IMP_core.Hierarchy_set_name(self, a0)
7119 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7120 return _IMP_core.Hierarchy_set_check_level(self, a0)
7122 def add_to_derivative(self, a0, a1, a2):
7123 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7124 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7126 def set_is_optimized(self, a0, a1):
7127 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7128 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7130 def get_is_optimized(self, a0):
7131 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7132 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7135 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7136 return _IMP_core.Hierarchy_get_check_level(self)
7138 def __eq__(self, *args):
7140 __eq__(Hierarchy self, Hierarchy o) -> bool
7141 __eq__(Hierarchy self, Particle d) -> bool
7143 return _IMP_core.Hierarchy___eq__(self, *args)
7145 def __ne__(self, *args):
7147 __ne__(Hierarchy self, Hierarchy o) -> bool
7148 __ne__(Hierarchy self, Particle d) -> bool
7150 return _IMP_core.Hierarchy___ne__(self, *args)
7152 def __le__(self, *args):
7154 __le__(Hierarchy self, Hierarchy o) -> bool
7155 __le__(Hierarchy self, Particle d) -> bool
7157 return _IMP_core.Hierarchy___le__(self, *args)
7159 def __lt__(self, *args):
7161 __lt__(Hierarchy self, Hierarchy o) -> bool
7162 __lt__(Hierarchy self, Particle d) -> bool
7164 return _IMP_core.Hierarchy___lt__(self, *args)
7166 def __ge__(self, *args):
7168 __ge__(Hierarchy self, Hierarchy o) -> bool
7169 __ge__(Hierarchy self, Particle d) -> bool
7171 return _IMP_core.Hierarchy___ge__(self, *args)
7173 def __gt__(self, *args):
7175 __gt__(Hierarchy self, Hierarchy o) -> bool
7176 __gt__(Hierarchy self, Particle d) -> bool
7178 return _IMP_core.Hierarchy___gt__(self, *args)
7181 r"""__hash__(Hierarchy self) -> std::size_t"""
7182 return _IMP_core.Hierarchy___hash__(self)
7185 r"""__str__(Hierarchy self) -> std::string"""
7186 return _IMP_core.Hierarchy___str__(self)
7189 r"""__repr__(Hierarchy self) -> std::string"""
7190 return _IMP_core.Hierarchy___repr__(self)
7191 __swig_destroy__ = _IMP_core.delete_Hierarchy
7194 _IMP_core.Hierarchy_swigregister(Hierarchy)
7195 class HierarchyVisitor(object):
7196 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7198 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7199 __repr__ = _swig_repr
7202 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7203 if self.__class__ == HierarchyVisitor:
7207 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7209 if self.__class__ != HierarchyVisitor:
7210 _director_objects.register(self)
7215 def __call__(self, p):
7216 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7217 return _IMP_core.HierarchyVisitor___call__(self, p)
7218 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7219 def __disown__(self):
7221 _IMP_core.disown_HierarchyVisitor(self)
7222 return weakref.proxy(self)
7225 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7226 class ModifierVisitor(HierarchyVisitor):
7227 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7230 __repr__ = _swig_repr
7232 def __init__(self, sm):
7233 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7234 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7235 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7238 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7239 class HierarchyCounter(HierarchyVisitor):
7240 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7242 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7245 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7246 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7248 def get_count(self):
7249 r"""get_count(HierarchyCounter self) -> unsigned int"""
7250 return _IMP_core.HierarchyCounter_get_count(self)
7252 def show(self, *args):
7253 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7254 return _IMP_core.HierarchyCounter_show(self, *args)
7257 r"""__str__(HierarchyCounter self) -> std::string"""
7258 return _IMP_core.HierarchyCounter___str__(self)
7261 r"""__repr__(HierarchyCounter self) -> std::string"""
7262 return _IMP_core.HierarchyCounter___repr__(self)
7264 def _get_as_binary(self):
7265 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7266 return _IMP_core.HierarchyCounter__get_as_binary(self)
7268 def _set_from_binary(self, p):
7269 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7270 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7272 def __getstate__(self):
7273 p = self._get_as_binary()
7274 if len(self.__dict__) > 1:
7275 d = self.__dict__.copy()
7280 def __setstate__(self, p):
7281 if not hasattr(self,
'this'):
7283 if isinstance(p, tuple):
7285 self.__dict__.update(d)
7286 return self._set_from_binary(p)
7288 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7291 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7294 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7295 return _IMP_core.get_leaves(mhd)
7298 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7299 return _IMP_core.get_internal(mhd)
7302 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7303 return _IMP_core.get_all_descendants(mhd)
7306 r"""get_root(Hierarchy h) -> Hierarchy"""
7307 return _IMP_core.get_root(h)
7310 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7311 return _IMP_core.visit_breadth_first(d, f)
7314 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7315 return _IMP_core.visit_depth_first(d, f)
7317 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7321 def __init__(self, tr):
7322 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7323 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7325 def do_get_inputs(self, m, pis):
7326 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7327 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7329 def get_version_info(self):
7330 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7331 return _IMP_core.LeavesRefiner_get_version_info(self)
7332 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7335 r"""__str__(LeavesRefiner self) -> std::string"""
7336 return _IMP_core.LeavesRefiner___str__(self)
7339 r"""__repr__(LeavesRefiner self) -> std::string"""
7340 return _IMP_core.LeavesRefiner___repr__(self)
7344 return _object_cast_to_LeavesRefiner(o)
7348 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7350 r"""Proxy of C++ IMP::core::Linear class."""
7352 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7354 def __init__(self, *args):
7356 __init__(Linear self, double offset, double slope) -> Linear
7357 __init__(Linear self) -> Linear
7359 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7361 def set_slope(self, f):
7362 r"""set_slope(Linear self, double f)"""
7363 return _IMP_core.Linear_set_slope(self, f)
7365 def get_slope(self):
7366 r"""get_slope(Linear self) -> double"""
7367 return _IMP_core.Linear_get_slope(self)
7369 def set_offset(self, f):
7370 r"""set_offset(Linear self, double f)"""
7371 return _IMP_core.Linear_set_offset(self, f)
7373 def get_offset(self):
7374 r"""get_offset(Linear self) -> double"""
7375 return _IMP_core.Linear_get_offset(self)
7377 def get_version_info(self):
7378 r"""get_version_info(Linear self) -> VersionInfo"""
7379 return _IMP_core.Linear_get_version_info(self)
7380 __swig_destroy__ = _IMP_core.delete_Linear
7383 r"""__str__(Linear self) -> std::string"""
7384 return _IMP_core.Linear___str__(self)
7387 r"""__repr__(Linear self) -> std::string"""
7388 return _IMP_core.Linear___repr__(self)
7392 return _object_cast_to_Linear(o)
7395 def _get_as_binary(self):
7396 r"""_get_as_binary(Linear self) -> PyObject *"""
7397 return _IMP_core.Linear__get_as_binary(self)
7399 def _set_from_binary(self, p):
7400 r"""_set_from_binary(Linear self, PyObject * p)"""
7401 return _IMP_core.Linear__set_from_binary(self, p)
7403 def __getstate__(self):
7404 p = self._get_as_binary()
7405 if len(self.__dict__) > 1:
7406 d = self.__dict__.copy()
7411 def __setstate__(self, p):
7412 if not hasattr(self,
'this'):
7414 if isinstance(p, tuple):
7416 self.__dict__.update(d)
7417 return self._set_from_binary(p)
7422 def score(val, slope, offset):
7423 return (val - offset) * slope
7424 return functools.partial(score, slope=self.get_slope(),
7425 offset=self.get_offset())
7429 _IMP_core.Linear_swigregister(Linear)
7430 class LogNormalMover(MonteCarloMover):
7431 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7433 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7435 def __init__(self, *args):
7437 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7438 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7439 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7440 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7441 __init__(LogNormalMover self) -> LogNormalMover
7443 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7445 def set_sigma(self, sigma):
7446 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7447 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7449 def get_sigma(self):
7450 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7451 return _IMP_core.LogNormalMover_get_sigma(self)
7453 def get_version_info(self):
7454 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7455 return _IMP_core.LogNormalMover_get_version_info(self)
7456 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7459 r"""__str__(LogNormalMover self) -> std::string"""
7460 return _IMP_core.LogNormalMover___str__(self)
7463 r"""__repr__(LogNormalMover self) -> std::string"""
7464 return _IMP_core.LogNormalMover___repr__(self)
7468 return _object_cast_to_LogNormalMover(o)
7471 def _get_as_binary(self):
7472 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7473 return _IMP_core.LogNormalMover__get_as_binary(self)
7475 def _set_from_binary(self, p):
7476 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7477 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7479 def __getstate__(self):
7480 p = self._get_as_binary()
7481 if len(self.__dict__) > 1:
7482 d = self.__dict__.copy()
7487 def __setstate__(self, p):
7488 if not hasattr(self,
'this'):
7490 if isinstance(p, tuple):
7492 self.__dict__.update(d)
7493 return self._set_from_binary(p)
7497 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7498 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7501 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7503 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7505 def __init__(self, m):
7506 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7507 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7509 def get_version_info(self):
7510 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7511 return _IMP_core.MonteCarlo_get_version_info(self)
7512 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7514 def set_return_best(self, tf):
7515 r"""set_return_best(MonteCarlo self, bool tf)"""
7516 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7518 def get_return_best(self):
7519 r"""get_return_best(MonteCarlo self) -> bool"""
7520 return _IMP_core.MonteCarlo_get_return_best(self)
7522 def set_score_moved(self, mv):
7523 r"""set_score_moved(MonteCarlo self, bool mv)"""
7524 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7526 def set_kt(self, t):
7527 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7528 return _IMP_core.MonteCarlo_set_kt(self, t)
7531 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7532 return _IMP_core.MonteCarlo_get_kt(self)
7534 def get_last_accepted_energy(self):
7535 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7536 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7538 def set_last_accepted_energy(self, energy):
7539 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7540 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7542 def get_best_accepted_energy(self):
7543 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7544 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7546 def set_best_accepted_energy(self, energy):
7547 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7548 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7550 def get_number_of_downward_steps(self):
7551 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7552 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7554 def get_number_of_upward_steps(self):
7555 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7556 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7558 def get_number_of_proposed_steps(self):
7559 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7560 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7562 def get_number_of_accepted_steps(self):
7563 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7564 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7566 def set_number_of_downward_steps(self, nsteps):
7567 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7568 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7570 def set_number_of_upward_steps(self, nsteps):
7571 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7572 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7574 def set_number_of_rejected_steps(self, nsteps):
7575 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7576 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7578 def reset_statistics(self):
7579 r"""reset_statistics(MonteCarlo self)"""
7580 return _IMP_core.MonteCarlo_reset_statistics(self)
7582 def set_score_threshold(self, s):
7583 r"""set_score_threshold(MonteCarlo self, double s)"""
7584 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7586 def get_score_threshold(self):
7587 r"""get_score_threshold(MonteCarlo self) -> double"""
7588 return _IMP_core.MonteCarlo_get_score_threshold(self)
7590 def set_maximum_difference(self, d):
7591 r"""set_maximum_difference(MonteCarlo self, double d)"""
7592 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7594 def get_maximum_difference(self):
7595 r"""get_maximum_difference(MonteCarlo self) -> double"""
7596 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7597 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)
7598 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7599 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7600 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7602 def remove_mover(self, d):
7603 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7604 return _IMP_core.MonteCarlo_remove_mover(self, d)
7606 def _python_index_mover(self, d, start, stop):
7607 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7608 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7610 def remove_movers(self, d):
7611 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7612 return _IMP_core.MonteCarlo_remove_movers(self, d)
7614 def set_movers(self, ps):
7615 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7616 return _IMP_core.MonteCarlo_set_movers(self, ps)
7618 def set_movers_order(self, objs):
7619 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7620 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7622 def add_mover(self, obj):
7623 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7624 return _IMP_core.MonteCarlo_add_mover(self, obj)
7626 def add_movers(self, objs):
7627 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7628 return _IMP_core.MonteCarlo_add_movers(self, objs)
7630 def clear_movers(self):
7631 r"""clear_movers(MonteCarlo self)"""
7632 return _IMP_core.MonteCarlo_clear_movers(self)
7634 def get_number_of_movers(self):
7635 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7636 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7638 def get_has_movers(self):
7639 r"""get_has_movers(MonteCarlo self) -> bool"""
7640 return _IMP_core.MonteCarlo_get_has_movers(self)
7642 def get_mover(self, i):
7643 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7644 return _IMP_core.MonteCarlo_get_mover(self, i)
7646 def get_movers(self):
7647 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7648 return _IMP_core.MonteCarlo_get_movers(self)
7650 def erase_mover(self, i):
7651 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7652 return _IMP_core.MonteCarlo_erase_mover(self, i)
7654 def reserve_movers(self, sz):
7655 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7656 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7659 r"""__str__(MonteCarlo self) -> std::string"""
7660 return _IMP_core.MonteCarlo___str__(self)
7663 r"""__repr__(MonteCarlo self) -> std::string"""
7664 return _IMP_core.MonteCarlo___repr__(self)
7668 return _object_cast_to_MonteCarlo(o)
7672 from IMP.core._jax_util
import _MCJAXInfo
7673 return _MCJAXInfo(self)
7675 def _optimize_jax(self, max_steps):
7676 import IMP.core._jax_util
7677 return IMP.core._jax_util._mc_optimize(self, max_steps)
7681 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7682 class MonteCarloWithLocalOptimization(MonteCarlo):
7683 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7685 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7687 def __init__(self, opt, steps):
7688 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7689 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7691 def get_number_of_steps(self):
7692 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7693 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7695 def get_local_optimizer(self):
7696 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7697 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7698 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7701 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7702 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7705 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7706 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7710 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7714 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7715 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7716 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7720 def __init__(self, opt, ns):
7721 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7722 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7723 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7726 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7727 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7730 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7731 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7735 return _object_cast_to_MonteCarloWithBasinHopping(o)
7739 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7741 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7745 def __init__(self, *args):
7746 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7747 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7749 def get_neighbors(self, pi):
7750 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7751 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7753 def get_version_info(self):
7754 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7755 return _IMP_core.NeighborsTable_get_version_info(self)
7756 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7759 r"""__str__(NeighborsTable self) -> std::string"""
7760 return _IMP_core.NeighborsTable___str__(self)
7763 r"""__repr__(NeighborsTable self) -> std::string"""
7764 return _IMP_core.NeighborsTable___repr__(self)
7768 return _object_cast_to_NeighborsTable(o)
7772 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7773 class NormalMover(MonteCarloMover):
7774 r"""Proxy of C++ IMP::core::NormalMover class."""
7776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7778 def __init__(self, *args):
7780 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7781 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7782 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7783 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7784 __init__(NormalMover self) -> NormalMover
7786 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7788 def set_sigma(self, sigma):
7789 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7790 return _IMP_core.NormalMover_set_sigma(self, sigma)
7792 def get_sigma(self):
7793 r"""get_sigma(NormalMover self) -> IMP::Float"""
7794 return _IMP_core.NormalMover_get_sigma(self)
7796 def get_version_info(self):
7797 r"""get_version_info(NormalMover self) -> VersionInfo"""
7798 return _IMP_core.NormalMover_get_version_info(self)
7799 __swig_destroy__ = _IMP_core.delete_NormalMover
7802 r"""__str__(NormalMover self) -> std::string"""
7803 return _IMP_core.NormalMover___str__(self)
7806 r"""__repr__(NormalMover self) -> std::string"""
7807 return _IMP_core.NormalMover___repr__(self)
7811 return _object_cast_to_NormalMover(o)
7814 def _get_as_binary(self):
7815 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7816 return _IMP_core.NormalMover__get_as_binary(self)
7818 def _set_from_binary(self, p):
7819 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7820 return _IMP_core.NormalMover__set_from_binary(self, p)
7822 def __getstate__(self):
7823 p = self._get_as_binary()
7824 if len(self.__dict__) > 1:
7825 d = self.__dict__.copy()
7830 def __setstate__(self, p):
7831 if not hasattr(self,
'this'):
7833 if isinstance(p, tuple):
7835 self.__dict__.update(d)
7836 return self._set_from_binary(p)
7840 _IMP_core.NormalMover_swigregister(NormalMover)
7841 class OpenCubicSpline(_OpenCubicSplineBase):
7842 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7846 def __init__(self, values, minrange, spacing, extend=False):
7847 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7848 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7851 r"""__str__(OpenCubicSpline self) -> std::string"""
7852 return _IMP_core.OpenCubicSpline___str__(self)
7855 r"""__repr__(OpenCubicSpline self) -> std::string"""
7856 return _IMP_core.OpenCubicSpline___repr__(self)
7860 return _object_cast_to_OpenCubicSpline(o)
7862 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
7865 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
7866 class QuadraticClosePairsFinder(ClosePairsFinder):
7867 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
7869 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7872 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
7873 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
7875 def get_are_close_and_filtered(self, *args):
7877 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
7878 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
7880 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
7882 def get_close_pairs(self, *args):
7884 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7885 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7886 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
7887 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
7889 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
7891 def do_get_inputs(self, m, pis):
7892 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7893 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
7895 def get_version_info(self):
7896 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
7897 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
7898 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
7901 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
7902 return _IMP_core.QuadraticClosePairsFinder___str__(self)
7905 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
7906 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
7910 return _object_cast_to_QuadraticClosePairsFinder(o)
7914 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
7916 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
7918 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7920 def __init__(self, r, f):
7921 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
7922 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
7924 def do_get_inputs(self, m, pis):
7925 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7926 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
7928 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
7929 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"""
7930 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
7932 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7933 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"""
7934 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
7936 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
7937 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"""
7938 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
7940 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7941 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"""
7942 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
7944 def get_version_info(self):
7945 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
7946 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
7947 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
7950 r"""__str__(RefinedPairsPairScore self) -> std::string"""
7951 return _IMP_core.RefinedPairsPairScore___str__(self)
7954 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
7955 return _IMP_core.RefinedPairsPairScore___repr__(self)
7959 return _object_cast_to_RefinedPairsPairScore(o)
7963 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
7964 class RigidBody(XYZ):
7965 r"""Proxy of C++ IMP::core::RigidBody class."""
7967 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7969 def get_rigid_members(self):
7970 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
7971 return _IMP_core.RigidBody_get_rigid_members(self)
7974 def get_rotation_keys():
7975 r"""get_rotation_keys() -> IMP::FloatKeys"""
7976 return _IMP_core.RigidBody_get_rotation_keys()
7978 def get_member_particle_indexes(self):
7979 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
7980 return _IMP_core.RigidBody_get_member_particle_indexes(self)
7982 def get_body_member_particle_indexes(self):
7983 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
7984 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
7986 def get_member_indexes(self):
7987 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
7988 return _IMP_core.RigidBody_get_member_indexes(self)
7990 def show(self, *args):
7991 r"""show(RigidBody self, _ostream out=std::cout)"""
7992 return _IMP_core.RigidBody_show(self, *args)
7995 def setup_particle(*args):
7997 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
7998 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
7999 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8000 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8002 return _IMP_core.RigidBody_setup_particle(*args)
8005 def teardown_particle(rb):
8006 r"""teardown_particle(RigidBody rb)"""
8007 return _IMP_core.RigidBody_teardown_particle(rb)
8009 def __init__(self, *args):
8011 __init__(RigidBody self) -> RigidBody
8012 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8013 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8014 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8016 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8017 __swig_destroy__ = _IMP_core.delete_RigidBody
8020 def get_is_setup(*args):
8022 get_is_setup(_ParticleAdaptor p) -> bool
8023 get_is_setup(Model m, ParticleIndex pi) -> bool
8025 return _IMP_core.RigidBody_get_is_setup(*args)
8027 def get_coordinates(self):
8028 r"""get_coordinates(RigidBody self) -> Vector3D"""
8029 return _IMP_core.RigidBody_get_coordinates(self)
8031 def get_rotation(self):
8032 r"""get_rotation(RigidBody self) -> Rotation3D"""
8033 return _IMP_core.RigidBody_get_rotation(self)
8035 def get_reference_frame(self):
8036 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8037 return _IMP_core.RigidBody_get_reference_frame(self)
8039 def set_reference_frame(self, tr):
8040 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8041 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8043 def set_reference_frame_lazy(self, tr):
8044 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8045 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8047 def set_reference_frame_from_members(self, members):
8048 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8049 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8051 def pull_back_members_adjoints(self, da):
8052 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8053 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8055 def pull_back_member_adjoints(self, pi, da):
8056 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8057 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8059 def pull_back_body_member_adjoints(self, pi, da):
8060 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8061 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8063 def add_to_derivatives(self, *args):
8065 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8066 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8068 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8070 def add_to_rotational_derivatives(self, *args):
8072 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8073 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8075 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8077 def add_to_torque(self, torque_local, da):
8078 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8079 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8081 def get_torque(self):
8082 r"""get_torque(RigidBody self) -> Vector3D"""
8083 return _IMP_core.RigidBody_get_torque(self)
8085 def get_coordinates_are_optimized(self):
8086 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8087 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8089 def set_coordinates_are_optimized(self, tf):
8090 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8091 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8093 def normalize_rotation(self):
8094 r"""normalize_rotation(RigidBody self)"""
8095 return _IMP_core.RigidBody_normalize_rotation(self)
8097 def update_members(self):
8098 r"""update_members(RigidBody self)"""
8099 return _IMP_core.RigidBody_update_members(self)
8101 def get_rotational_derivatives(self):
8102 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8103 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8105 def get_number_of_members(self):
8106 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8107 return _IMP_core.RigidBody_get_number_of_members(self)
8109 def get_member(self, i):
8110 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8111 return _IMP_core.RigidBody_get_member(self, i)
8113 def add_member(self, p):
8114 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8115 return _IMP_core.RigidBody_add_member(self, p)
8117 def add_non_rigid_member(self, p):
8118 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8119 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8121 def set_is_rigid_member(self, pi, tf):
8122 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8123 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8125 def remove_member(self, p):
8126 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8127 return _IMP_core.RigidBody_remove_member(self, p)
8129 def add_attribute(self, *args):
8131 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8132 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8133 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8134 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8135 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8136 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8137 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8138 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8139 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8140 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8141 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8142 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8144 return _IMP_core.RigidBody_add_attribute(self, *args)
8146 def get_value(self, *args):
8148 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8149 get_value(RigidBody self, IntKey a0) -> IMP::Int
8150 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8151 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8152 get_value(RigidBody self, StringKey a0) -> IMP::String
8153 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8154 get_value(RigidBody self, ObjectKey a0) -> Object
8155 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8156 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8157 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8158 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8160 return _IMP_core.RigidBody_get_value(self, *args)
8162 def set_value(self, *args):
8164 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8165 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8166 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8167 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8168 set_value(RigidBody self, StringKey a0, IMP::String a1)
8169 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8170 set_value(RigidBody self, ObjectKey a0, Object a1)
8171 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8172 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8173 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8174 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8176 return _IMP_core.RigidBody_set_value(self, *args)
8178 def remove_attribute(self, *args):
8180 remove_attribute(RigidBody self, FloatKey a0)
8181 remove_attribute(RigidBody self, IntKey a0)
8182 remove_attribute(RigidBody self, FloatsKey a0)
8183 remove_attribute(RigidBody self, IntsKey a0)
8184 remove_attribute(RigidBody self, StringKey a0)
8185 remove_attribute(RigidBody self, ParticleIndexKey a0)
8186 remove_attribute(RigidBody self, ObjectKey a0)
8187 remove_attribute(RigidBody self, SparseFloatKey a0)
8188 remove_attribute(RigidBody self, SparseIntKey a0)
8189 remove_attribute(RigidBody self, SparseStringKey a0)
8190 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8192 return _IMP_core.RigidBody_remove_attribute(self, *args)
8194 def has_attribute(self, *args):
8196 has_attribute(RigidBody self, FloatKey a0) -> bool
8197 has_attribute(RigidBody self, IntKey a0) -> bool
8198 has_attribute(RigidBody self, FloatsKey a0) -> bool
8199 has_attribute(RigidBody self, IntsKey a0) -> bool
8200 has_attribute(RigidBody self, StringKey a0) -> bool
8201 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8202 has_attribute(RigidBody self, ObjectKey a0) -> bool
8203 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8204 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8205 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8206 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8208 return _IMP_core.RigidBody_has_attribute(self, *args)
8210 def get_derivative(self, a0):
8211 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8212 return _IMP_core.RigidBody_get_derivative(self, a0)
8215 r"""get_name(RigidBody self) -> std::string"""
8216 return _IMP_core.RigidBody_get_name(self)
8218 def clear_caches(self):
8219 r"""clear_caches(RigidBody self)"""
8220 return _IMP_core.RigidBody_clear_caches(self)
8222 def set_name(self, a0):
8223 r"""set_name(RigidBody self, std::string a0)"""
8224 return _IMP_core.RigidBody_set_name(self, a0)
8227 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8228 return _IMP_core.RigidBody_set_check_level(self, a0)
8230 def add_to_derivative(self, a0, a1, a2):
8231 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8232 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8234 def set_is_optimized(self, a0, a1):
8235 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8236 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8238 def get_is_optimized(self, a0):
8239 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8240 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8243 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8244 return _IMP_core.RigidBody_get_check_level(self)
8246 def __eq__(self, *args):
8248 __eq__(RigidBody self, RigidBody o) -> bool
8249 __eq__(RigidBody self, Particle d) -> bool
8251 return _IMP_core.RigidBody___eq__(self, *args)
8253 def __ne__(self, *args):
8255 __ne__(RigidBody self, RigidBody o) -> bool
8256 __ne__(RigidBody self, Particle d) -> bool
8258 return _IMP_core.RigidBody___ne__(self, *args)
8260 def __le__(self, *args):
8262 __le__(RigidBody self, RigidBody o) -> bool
8263 __le__(RigidBody self, Particle d) -> bool
8265 return _IMP_core.RigidBody___le__(self, *args)
8267 def __lt__(self, *args):
8269 __lt__(RigidBody self, RigidBody o) -> bool
8270 __lt__(RigidBody self, Particle d) -> bool
8272 return _IMP_core.RigidBody___lt__(self, *args)
8274 def __ge__(self, *args):
8276 __ge__(RigidBody self, RigidBody o) -> bool
8277 __ge__(RigidBody self, Particle d) -> bool
8279 return _IMP_core.RigidBody___ge__(self, *args)
8281 def __gt__(self, *args):
8283 __gt__(RigidBody self, RigidBody o) -> bool
8284 __gt__(RigidBody self, Particle d) -> bool
8286 return _IMP_core.RigidBody___gt__(self, *args)
8289 r"""__hash__(RigidBody self) -> std::size_t"""
8290 return _IMP_core.RigidBody___hash__(self)
8293 r"""__str__(RigidBody self) -> std::string"""
8294 return _IMP_core.RigidBody___str__(self)
8297 r"""__repr__(RigidBody self) -> std::string"""
8298 return _IMP_core.RigidBody___repr__(self)
8300 def _get_as_binary(self):
8301 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8302 return _IMP_core.RigidBody__get_as_binary(self)
8304 def _set_from_binary(self, p):
8305 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8306 return _IMP_core.RigidBody__set_from_binary(self, p)
8308 def __getstate__(self):
8309 p = self._get_as_binary()
8310 if len(self.__dict__) > 1:
8311 d = self.__dict__.copy()
8316 def __setstate__(self, p):
8317 if not hasattr(self,
'this'):
8319 if isinstance(p, tuple):
8321 self.__dict__.update(d)
8322 return self._set_from_binary(p)
8326 _IMP_core.RigidBody_swigregister(RigidBody)
8329 r"""add_rigid_body_cache_key(ObjectKey k)"""
8330 return _IMP_core.add_rigid_body_cache_key(k)
8331 class RigidBodyMember(XYZ):
8332 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8336 def show(self, *args):
8337 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8338 return _IMP_core.RigidBodyMember_show(self, *args)
8340 def get_rigid_body(self):
8341 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8342 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8344 def get_internal_coordinates(self):
8345 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8346 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8348 def set_internal_coordinates(self, v):
8349 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8350 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8352 def set_internal_transformation(self, v):
8353 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8354 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8356 def get_internal_transformation(self):
8357 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8358 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8359 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8361 def set_coordinates(self, *args):
8363 set_coordinates(RigidBodyMember self, Vector3D center)
8364 set_coordinates(RigidBodyMember self, Transformation3D tr)
8366 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8368 def __init__(self, *args):
8370 __init__(RigidBodyMember self) -> RigidBodyMember
8371 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8372 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8373 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8375 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8378 def get_is_setup(*args):
8380 get_is_setup(_ParticleAdaptor p) -> bool
8381 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8383 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8386 def get_internal_coordinate_keys():
8387 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8388 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8391 def get_internal_rotation_keys():
8392 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8393 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8395 def add_attribute(self, *args):
8397 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8398 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8399 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8400 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8401 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8402 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8403 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8404 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8405 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8406 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8407 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8408 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8410 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8412 def get_value(self, *args):
8414 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8415 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8416 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8417 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8418 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8419 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8420 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8421 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8422 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8423 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8424 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8426 return _IMP_core.RigidBodyMember_get_value(self, *args)
8428 def set_value(self, *args):
8430 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8431 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8432 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8433 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8434 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8435 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8436 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8437 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8438 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8439 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8440 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8442 return _IMP_core.RigidBodyMember_set_value(self, *args)
8444 def remove_attribute(self, *args):
8446 remove_attribute(RigidBodyMember self, FloatKey a0)
8447 remove_attribute(RigidBodyMember self, IntKey a0)
8448 remove_attribute(RigidBodyMember self, FloatsKey a0)
8449 remove_attribute(RigidBodyMember self, IntsKey a0)
8450 remove_attribute(RigidBodyMember self, StringKey a0)
8451 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8452 remove_attribute(RigidBodyMember self, ObjectKey a0)
8453 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8454 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8455 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8456 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8458 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8460 def has_attribute(self, *args):
8462 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8463 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8464 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8465 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8466 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8467 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8468 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8469 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8470 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8471 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8472 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8474 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8476 def get_derivative(self, a0):
8477 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8478 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8481 r"""get_name(RigidBodyMember self) -> std::string"""
8482 return _IMP_core.RigidBodyMember_get_name(self)
8484 def clear_caches(self):
8485 r"""clear_caches(RigidBodyMember self)"""
8486 return _IMP_core.RigidBodyMember_clear_caches(self)
8488 def set_name(self, a0):
8489 r"""set_name(RigidBodyMember self, std::string a0)"""
8490 return _IMP_core.RigidBodyMember_set_name(self, a0)
8493 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8494 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8496 def add_to_derivative(self, a0, a1, a2):
8497 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8498 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8500 def set_is_optimized(self, a0, a1):
8501 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8502 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8504 def get_is_optimized(self, a0):
8505 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8506 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8509 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8510 return _IMP_core.RigidBodyMember_get_check_level(self)
8512 def __eq__(self, *args):
8514 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8515 __eq__(RigidBodyMember self, Particle d) -> bool
8517 return _IMP_core.RigidBodyMember___eq__(self, *args)
8519 def __ne__(self, *args):
8521 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8522 __ne__(RigidBodyMember self, Particle d) -> bool
8524 return _IMP_core.RigidBodyMember___ne__(self, *args)
8526 def __le__(self, *args):
8528 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8529 __le__(RigidBodyMember self, Particle d) -> bool
8531 return _IMP_core.RigidBodyMember___le__(self, *args)
8533 def __lt__(self, *args):
8535 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8536 __lt__(RigidBodyMember self, Particle d) -> bool
8538 return _IMP_core.RigidBodyMember___lt__(self, *args)
8540 def __ge__(self, *args):
8542 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8543 __ge__(RigidBodyMember self, Particle d) -> bool
8545 return _IMP_core.RigidBodyMember___ge__(self, *args)
8547 def __gt__(self, *args):
8549 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8550 __gt__(RigidBodyMember self, Particle d) -> bool
8552 return _IMP_core.RigidBodyMember___gt__(self, *args)
8555 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8556 return _IMP_core.RigidBodyMember___hash__(self)
8559 r"""__str__(RigidBodyMember self) -> std::string"""
8560 return _IMP_core.RigidBodyMember___str__(self)
8563 r"""__repr__(RigidBodyMember self) -> std::string"""
8564 return _IMP_core.RigidBodyMember___repr__(self)
8566 def _get_as_binary(self):
8567 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8568 return _IMP_core.RigidBodyMember__get_as_binary(self)
8570 def _set_from_binary(self, p):
8571 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8572 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8574 def __getstate__(self):
8575 p = self._get_as_binary()
8576 if len(self.__dict__) > 1:
8577 d = self.__dict__.copy()
8582 def __setstate__(self, p):
8583 if not hasattr(self,
'this'):
8585 if isinstance(p, tuple):
8587 self.__dict__.update(d)
8588 return self._set_from_binary(p)
8592 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8593 class RigidMember(RigidBodyMember):
8594 r"""Proxy of C++ IMP::core::RigidMember class."""
8596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8598 def show(self, *args):
8599 r"""show(RigidMember self, _ostream out=std::cout)"""
8600 return _IMP_core.RigidMember_show(self, *args)
8602 def __init__(self, *args):
8604 __init__(RigidMember self) -> RigidMember
8605 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8606 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8607 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8609 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8610 __swig_destroy__ = _IMP_core.delete_RigidMember
8613 def get_is_setup(*args):
8615 get_is_setup(_ParticleAdaptor p) -> bool
8616 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8618 return _IMP_core.RigidMember_get_is_setup(*args)
8620 def add_attribute(self, *args):
8622 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8623 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8624 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8625 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8626 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8627 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8628 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8629 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8630 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8631 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8632 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8633 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8635 return _IMP_core.RigidMember_add_attribute(self, *args)
8637 def get_value(self, *args):
8639 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8640 get_value(RigidMember self, IntKey a0) -> IMP::Int
8641 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8642 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8643 get_value(RigidMember self, StringKey a0) -> IMP::String
8644 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8645 get_value(RigidMember self, ObjectKey a0) -> Object
8646 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8647 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8648 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8649 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8651 return _IMP_core.RigidMember_get_value(self, *args)
8653 def set_value(self, *args):
8655 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8656 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8657 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8658 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8659 set_value(RigidMember self, StringKey a0, IMP::String a1)
8660 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8661 set_value(RigidMember self, ObjectKey a0, Object a1)
8662 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8663 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8664 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8665 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8667 return _IMP_core.RigidMember_set_value(self, *args)
8669 def remove_attribute(self, *args):
8671 remove_attribute(RigidMember self, FloatKey a0)
8672 remove_attribute(RigidMember self, IntKey a0)
8673 remove_attribute(RigidMember self, FloatsKey a0)
8674 remove_attribute(RigidMember self, IntsKey a0)
8675 remove_attribute(RigidMember self, StringKey a0)
8676 remove_attribute(RigidMember self, ParticleIndexKey a0)
8677 remove_attribute(RigidMember self, ObjectKey a0)
8678 remove_attribute(RigidMember self, SparseFloatKey a0)
8679 remove_attribute(RigidMember self, SparseIntKey a0)
8680 remove_attribute(RigidMember self, SparseStringKey a0)
8681 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8683 return _IMP_core.RigidMember_remove_attribute(self, *args)
8685 def has_attribute(self, *args):
8687 has_attribute(RigidMember self, FloatKey a0) -> bool
8688 has_attribute(RigidMember self, IntKey a0) -> bool
8689 has_attribute(RigidMember self, FloatsKey a0) -> bool
8690 has_attribute(RigidMember self, IntsKey a0) -> bool
8691 has_attribute(RigidMember self, StringKey a0) -> bool
8692 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8693 has_attribute(RigidMember self, ObjectKey a0) -> bool
8694 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8695 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8696 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8697 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8699 return _IMP_core.RigidMember_has_attribute(self, *args)
8701 def get_derivative(self, a0):
8702 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8703 return _IMP_core.RigidMember_get_derivative(self, a0)
8706 r"""get_name(RigidMember self) -> std::string"""
8707 return _IMP_core.RigidMember_get_name(self)
8709 def clear_caches(self):
8710 r"""clear_caches(RigidMember self)"""
8711 return _IMP_core.RigidMember_clear_caches(self)
8713 def set_name(self, a0):
8714 r"""set_name(RigidMember self, std::string a0)"""
8715 return _IMP_core.RigidMember_set_name(self, a0)
8718 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8719 return _IMP_core.RigidMember_set_check_level(self, a0)
8721 def add_to_derivative(self, a0, a1, a2):
8722 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8723 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8725 def set_is_optimized(self, a0, a1):
8726 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8727 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8729 def get_is_optimized(self, a0):
8730 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8731 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8734 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8735 return _IMP_core.RigidMember_get_check_level(self)
8737 def __eq__(self, *args):
8739 __eq__(RigidMember self, RigidMember o) -> bool
8740 __eq__(RigidMember self, Particle d) -> bool
8742 return _IMP_core.RigidMember___eq__(self, *args)
8744 def __ne__(self, *args):
8746 __ne__(RigidMember self, RigidMember o) -> bool
8747 __ne__(RigidMember self, Particle d) -> bool
8749 return _IMP_core.RigidMember___ne__(self, *args)
8751 def __le__(self, *args):
8753 __le__(RigidMember self, RigidMember o) -> bool
8754 __le__(RigidMember self, Particle d) -> bool
8756 return _IMP_core.RigidMember___le__(self, *args)
8758 def __lt__(self, *args):
8760 __lt__(RigidMember self, RigidMember o) -> bool
8761 __lt__(RigidMember self, Particle d) -> bool
8763 return _IMP_core.RigidMember___lt__(self, *args)
8765 def __ge__(self, *args):
8767 __ge__(RigidMember self, RigidMember o) -> bool
8768 __ge__(RigidMember self, Particle d) -> bool
8770 return _IMP_core.RigidMember___ge__(self, *args)
8772 def __gt__(self, *args):
8774 __gt__(RigidMember self, RigidMember o) -> bool
8775 __gt__(RigidMember self, Particle d) -> bool
8777 return _IMP_core.RigidMember___gt__(self, *args)
8780 r"""__hash__(RigidMember self) -> std::size_t"""
8781 return _IMP_core.RigidMember___hash__(self)
8784 r"""__str__(RigidMember self) -> std::string"""
8785 return _IMP_core.RigidMember___str__(self)
8788 r"""__repr__(RigidMember self) -> std::string"""
8789 return _IMP_core.RigidMember___repr__(self)
8791 def _get_as_binary(self):
8792 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8793 return _IMP_core.RigidMember__get_as_binary(self)
8795 def _set_from_binary(self, p):
8796 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8797 return _IMP_core.RigidMember__set_from_binary(self, p)
8799 def __getstate__(self):
8800 p = self._get_as_binary()
8801 if len(self.__dict__) > 1:
8802 d = self.__dict__.copy()
8807 def __setstate__(self, p):
8808 if not hasattr(self,
'this'):
8810 if isinstance(p, tuple):
8812 self.__dict__.update(d)
8813 return self._set_from_binary(p)
8817 _IMP_core.RigidMember_swigregister(RigidMember)
8818 class NonRigidMember(RigidBodyMember):
8819 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8821 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8823 def show(self, *args):
8824 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8825 return _IMP_core.NonRigidMember_show(self, *args)
8827 def __init__(self, *args):
8829 __init__(NonRigidMember self) -> NonRigidMember
8830 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8831 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8832 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8834 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8835 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8838 def get_is_setup(*args):
8840 get_is_setup(_ParticleAdaptor p) -> bool
8841 get_is_setup(Model m, ParticleIndex p) -> bool
8843 return _IMP_core.NonRigidMember_get_is_setup(*args)
8845 def add_to_internal_derivatives(self, deriv_parent, da):
8846 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8847 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8849 def add_to_internal_rotational_derivatives(self, *args):
8851 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
8852 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
8854 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
8856 def get_internal_derivatives(self):
8857 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
8858 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
8860 def get_internal_rotational_derivatives(self):
8861 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
8862 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
8864 def add_attribute(self, *args):
8866 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
8867 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
8868 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
8869 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8870 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8871 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
8872 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8873 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
8874 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8875 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8876 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8877 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8879 return _IMP_core.NonRigidMember_add_attribute(self, *args)
8881 def get_value(self, *args):
8883 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
8884 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
8885 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
8886 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
8887 get_value(NonRigidMember self, StringKey a0) -> IMP::String
8888 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
8889 get_value(NonRigidMember self, ObjectKey a0) -> Object
8890 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
8891 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
8892 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
8893 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8895 return _IMP_core.NonRigidMember_get_value(self, *args)
8897 def set_value(self, *args):
8899 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
8900 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
8901 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8902 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8903 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
8904 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8905 set_value(NonRigidMember self, ObjectKey a0, Object a1)
8906 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8907 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8908 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8909 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8911 return _IMP_core.NonRigidMember_set_value(self, *args)
8913 def remove_attribute(self, *args):
8915 remove_attribute(NonRigidMember self, FloatKey a0)
8916 remove_attribute(NonRigidMember self, IntKey a0)
8917 remove_attribute(NonRigidMember self, FloatsKey a0)
8918 remove_attribute(NonRigidMember self, IntsKey a0)
8919 remove_attribute(NonRigidMember self, StringKey a0)
8920 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
8921 remove_attribute(NonRigidMember self, ObjectKey a0)
8922 remove_attribute(NonRigidMember self, SparseFloatKey a0)
8923 remove_attribute(NonRigidMember self, SparseIntKey a0)
8924 remove_attribute(NonRigidMember self, SparseStringKey a0)
8925 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
8927 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
8929 def has_attribute(self, *args):
8931 has_attribute(NonRigidMember self, FloatKey a0) -> bool
8932 has_attribute(NonRigidMember self, IntKey a0) -> bool
8933 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
8934 has_attribute(NonRigidMember self, IntsKey a0) -> bool
8935 has_attribute(NonRigidMember self, StringKey a0) -> bool
8936 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
8937 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
8938 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
8939 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
8940 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
8941 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
8943 return _IMP_core.NonRigidMember_has_attribute(self, *args)
8945 def get_derivative(self, a0):
8946 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
8947 return _IMP_core.NonRigidMember_get_derivative(self, a0)
8950 r"""get_name(NonRigidMember self) -> std::string"""
8951 return _IMP_core.NonRigidMember_get_name(self)
8953 def clear_caches(self):
8954 r"""clear_caches(NonRigidMember self)"""
8955 return _IMP_core.NonRigidMember_clear_caches(self)
8957 def set_name(self, a0):
8958 r"""set_name(NonRigidMember self, std::string a0)"""
8959 return _IMP_core.NonRigidMember_set_name(self, a0)
8962 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
8963 return _IMP_core.NonRigidMember_set_check_level(self, a0)
8965 def add_to_derivative(self, a0, a1, a2):
8966 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8967 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
8969 def set_is_optimized(self, a0, a1):
8970 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
8971 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
8973 def get_is_optimized(self, a0):
8974 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
8975 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
8978 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
8979 return _IMP_core.NonRigidMember_get_check_level(self)
8981 def __eq__(self, *args):
8983 __eq__(NonRigidMember self, NonRigidMember o) -> bool
8984 __eq__(NonRigidMember self, Particle d) -> bool
8986 return _IMP_core.NonRigidMember___eq__(self, *args)
8988 def __ne__(self, *args):
8990 __ne__(NonRigidMember self, NonRigidMember o) -> bool
8991 __ne__(NonRigidMember self, Particle d) -> bool
8993 return _IMP_core.NonRigidMember___ne__(self, *args)
8995 def __le__(self, *args):
8997 __le__(NonRigidMember self, NonRigidMember o) -> bool
8998 __le__(NonRigidMember self, Particle d) -> bool
9000 return _IMP_core.NonRigidMember___le__(self, *args)
9002 def __lt__(self, *args):
9004 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9005 __lt__(NonRigidMember self, Particle d) -> bool
9007 return _IMP_core.NonRigidMember___lt__(self, *args)
9009 def __ge__(self, *args):
9011 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9012 __ge__(NonRigidMember self, Particle d) -> bool
9014 return _IMP_core.NonRigidMember___ge__(self, *args)
9016 def __gt__(self, *args):
9018 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9019 __gt__(NonRigidMember self, Particle d) -> bool
9021 return _IMP_core.NonRigidMember___gt__(self, *args)
9024 r"""__hash__(NonRigidMember self) -> std::size_t"""
9025 return _IMP_core.NonRigidMember___hash__(self)
9028 r"""__str__(NonRigidMember self) -> std::string"""
9029 return _IMP_core.NonRigidMember___str__(self)
9032 r"""__repr__(NonRigidMember self) -> std::string"""
9033 return _IMP_core.NonRigidMember___repr__(self)
9035 def _get_as_binary(self):
9036 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9037 return _IMP_core.NonRigidMember__get_as_binary(self)
9039 def _set_from_binary(self, p):
9040 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9041 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9043 def __getstate__(self):
9044 p = self._get_as_binary()
9045 if len(self.__dict__) > 1:
9046 d = self.__dict__.copy()
9051 def __setstate__(self, p):
9052 if not hasattr(self,
'this'):
9054 if isinstance(p, tuple):
9056 self.__dict__.update(d)
9057 return self._set_from_binary(p)
9061 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9063 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9065 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9067 def __init__(self, *args):
9068 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9069 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9071 def do_get_inputs(self, m, pis):
9072 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9073 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9075 def get_version_info(self):
9076 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9077 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9078 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9081 r"""__str__(RigidMembersRefiner self) -> std::string"""
9082 return _IMP_core.RigidMembersRefiner___str__(self)
9085 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9086 return _IMP_core.RigidMembersRefiner___repr__(self)
9090 return _object_cast_to_RigidMembersRefiner(o)
9094 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9096 def get_rigid_members_refiner():
9097 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9098 return _IMP_core.get_rigid_members_refiner()
9102 transform(XYZ a, Transformation3D tr)
9103 transform(RigidBody a, Transformation3D tr)
9105 return _IMP_core.transform(*args)
9109 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9110 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9112 return _IMP_core.get_initial_reference_frame(*args)
9115 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9116 return _IMP_core.create_rigid_bodies(m, n, no_members)
9119 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9120 return _IMP_core.show_rigid_body_hierarchy(*args)
9123 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9124 return _IMP_core.get_root_rigid_body(m)
9126 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9130 def __init__(self, rb, constituents):
9131 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9132 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9134 def get_version_info(self):
9135 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9136 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9137 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9140 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9141 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9144 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9145 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9149 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9153 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9155 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9157 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9159 def __init__(self, *args):
9161 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9162 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9164 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9166 def get_version_info(self):
9167 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9168 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9169 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9172 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9173 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9176 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9177 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9181 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9185 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9187 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9189 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9191 def __init__(self, sc):
9192 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9193 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9195 def get_version_info(self):
9196 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9197 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9198 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9201 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9202 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9205 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9206 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9210 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9214 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9216 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9218 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9220 def __init__(self, *args):
9222 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9223 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9225 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9227 def get_version_info(self):
9228 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9229 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9230 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9233 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9234 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9237 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9238 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9242 return _object_cast_to_RigidBodyFrameGeometry(o)
9246 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9248 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9252 def __init__(self, sc):
9253 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9254 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9256 def get_version_info(self):
9257 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9258 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9259 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9262 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9263 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9266 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9267 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9271 return _object_cast_to_RigidBodyFramesGeometry(o)
9275 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9277 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9279 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9281 def __init__(self, p):
9282 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9283 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9286 r"""__str__(RigidBodyTorque self) -> std::string"""
9287 return _IMP_core.RigidBodyTorque___str__(self)
9290 r"""__repr__(RigidBodyTorque self) -> std::string"""
9291 return _IMP_core.RigidBodyTorque___repr__(self)
9295 return _object_cast_to_RigidBodyTorque(o)
9297 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9300 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9301 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9302 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9304 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9307 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9308 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9310 def get_close_pairs(self, *args):
9312 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9313 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9314 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9315 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9317 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9319 def do_get_inputs(self, m, pis):
9320 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9321 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9323 def get_version_info(self):
9324 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9325 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9326 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9329 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9330 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9333 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9334 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9338 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9342 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9344 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9348 def __init__(self, *args):
9350 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9351 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9352 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9354 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9356 def do_add_score_and_derivatives(self, sa, ss):
9357 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9358 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9360 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9361 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)"""
9362 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9364 def do_get_inputs(self):
9365 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9366 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9368 def get_restraints(self):
9369 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9370 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9372 def set_restraints(self, d):
9373 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9374 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9376 def get_number_of_restraints(self):
9377 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9378 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9380 def clear_restraints(self):
9381 r"""clear_restraints(RestraintsScoringFunction self)"""
9382 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9384 def get_restraint(self, i):
9385 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9386 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9388 def erase_restraint(self, i):
9389 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9390 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9393 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9394 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9397 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9398 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9400 def _python_index_restraint(self, r, start, stop):
9401 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9402 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9403 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)
9404 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9405 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9406 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9408 def get_version_info(self):
9409 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9410 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9411 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9414 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9415 return _IMP_core.RestraintsScoringFunction___str__(self)
9418 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9419 return _IMP_core.RestraintsScoringFunction___repr__(self)
9423 return _object_cast_to_RestraintsScoringFunction(o)
9426 def _get_as_binary(self):
9427 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9428 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9430 def _set_from_binary(self, p):
9431 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9432 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9434 def __getstate__(self):
9435 p = self._get_as_binary()
9436 if len(self.__dict__) > 1:
9437 d = self.__dict__.copy()
9442 def __setstate__(self, p):
9443 if not hasattr(self,
'this'):
9445 if isinstance(p, tuple):
9447 self.__dict__.update(d)
9448 return self._set_from_binary(p)
9452 import IMP._jax_util
9453 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9454 funcs = [j.score_func
for j
in jis]
9455 keys = frozenset(x
for j
in jis
for x
in j._keys)
9457 return sum(f(jm)
for f
in funcs)
9458 return IMP._jax_util.JAXRestraintInfo(
9459 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9463 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9464 class RigidClosePairsFinder(ClosePairsFinder):
9465 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9467 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9469 def __init__(self, cpf=None):
9470 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9471 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9473 def do_get_inputs(self, m, pis):
9474 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9475 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9477 def get_close_pairs(self, *args):
9479 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9480 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9481 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9482 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9483 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9485 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9487 def get_version_info(self):
9488 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9489 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9490 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9493 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9494 return _IMP_core.RigidClosePairsFinder___str__(self)
9497 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9498 return _IMP_core.RigidClosePairsFinder___repr__(self)
9502 return _object_cast_to_RigidClosePairsFinder(o)
9505 def _get_as_binary(self):
9506 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9507 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9509 def _set_from_binary(self, p):
9510 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9511 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9513 def __getstate__(self):
9514 p = self._get_as_binary()
9515 if len(self.__dict__) > 1:
9516 d = self.__dict__.copy()
9521 def __setstate__(self, p):
9522 if not hasattr(self,
'this'):
9524 if isinstance(p, tuple):
9526 self.__dict__.update(d)
9527 return self._set_from_binary(p)
9531 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9533 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9535 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9536 __repr__ = _swig_repr
9538 def __init__(self, *args):
9540 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9541 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9543 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9545 def do_get_inputs(self, m, pis):
9546 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9547 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9549 def get_score_functor(self, *args):
9551 get_score_functor(_SphereDistancePairScore self) -> IMP::core::SphereDistanceScore
9552 get_score_functor(_SphereDistancePairScore self) -> IMP::core::SphereDistanceScore const &
9554 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9556 def get_version_info(self):
9557 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9558 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9559 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9563 return _object_cast_to__SphereDistancePairScore(o)
9566 def _get_as_binary(self):
9567 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9568 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9570 def _set_from_binary(self, p):
9571 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9572 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9574 def __getstate__(self):
9575 p = self._get_as_binary()
9576 if len(self.__dict__) > 1:
9577 d = self.__dict__.copy()
9582 def __setstate__(self, p):
9583 if not hasattr(self,
'this'):
9585 if isinstance(p, tuple):
9587 self.__dict__.update(d)
9588 return self._set_from_binary(p)
9592 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9593 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9594 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9598 def __init__(self, *args):
9600 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9601 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9603 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9605 def do_get_inputs(self, m, pis):
9606 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9607 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9609 def get_score_functor(self, *args):
9611 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9612 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9614 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9616 def get_version_info(self):
9617 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9618 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9619 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9622 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9623 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
9626 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9627 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
9631 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
9634 def _get_as_binary(self):
9635 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
9636 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
9638 def _set_from_binary(self, p):
9639 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
9640 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
9642 def __getstate__(self):
9643 p = self._get_as_binary()
9644 if len(self.__dict__) > 1:
9645 d = self.__dict__.copy()
9650 def __setstate__(self, p):
9651 if not hasattr(self,
'this'):
9653 if isinstance(p, tuple):
9655 self.__dict__.update(d)
9656 return self._set_from_binary(p)
9660 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
9661 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
9662 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
9664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9666 def __init__(self, d0, k):
9667 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
9668 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
9670 def get_rest_length(self):
9671 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9672 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
9674 def get_stiffness(self):
9675 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9676 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
9678 def do_get_inputs(self, m, pis):
9679 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9680 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
9682 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9683 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"""
9684 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9686 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9687 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"""
9688 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9690 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9691 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"""
9692 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9694 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9695 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"""
9696 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9698 def get_version_info(self):
9699 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
9700 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
9701 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
9704 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
9705 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
9708 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
9709 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
9713 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
9717 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
9719 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
9721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9723 def __init__(self, *args):
9725 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
9726 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
9728 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
9730 def do_get_inputs(self, m, pis):
9731 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9732 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
9734 def get_score_functor(self, *args):
9736 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
9737 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
9739 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
9742 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
9743 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
9746 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
9747 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
9749 def get_version_info(self):
9750 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
9751 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
9752 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
9755 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
9756 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
9759 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
9760 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
9764 return _object_cast_to_HarmonicSphereDistancePairScore(o)
9767 def _get_as_binary(self):
9768 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
9769 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
9771 def _set_from_binary(self, p):
9772 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
9773 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
9775 def __getstate__(self):
9776 p = self._get_as_binary()
9777 if len(self.__dict__) > 1:
9778 d = self.__dict__.copy()
9783 def __setstate__(self, p):
9784 if not hasattr(self,
'this'):
9786 if isinstance(p, tuple):
9788 self.__dict__.update(d)
9789 return self._set_from_binary(p)
9793 import jax.numpy
as jnp
9795 def jax_score(jm, indexes, d, k):
9796 xyzs = jm[
'xyz'][indexes]
9797 rs = jm[
'r'][indexes]
9798 diff = xyzs[:,0] - xyzs[:,1]
9799 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9800 return 0.5 * k * (d - drs)**2
9801 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
9802 return self._wrap_jax(f)
9806 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
9808 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
9810 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9812 def __init__(self, *args):
9813 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
9814 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
9816 def do_get_inputs(self, m, pis):
9817 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9818 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
9820 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9821 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"""
9822 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9824 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9825 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"""
9826 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9828 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9829 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"""
9830 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9832 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9833 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"""
9834 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9836 def get_version_info(self):
9837 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
9838 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
9839 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
9842 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
9843 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
9846 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
9847 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
9851 return _object_cast_to_NormalizedSphereDistancePairScore(o)
9855 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
9857 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
9859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9861 def __init__(self, *args):
9862 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
9863 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
9865 def do_get_inputs(self, m, pis):
9866 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9867 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
9869 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9870 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"""
9871 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9873 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9874 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"""
9875 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9877 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9878 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"""
9879 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9881 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9882 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"""
9883 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9885 def get_version_info(self):
9886 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
9887 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
9888 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
9891 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
9892 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
9895 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
9896 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
9900 return _object_cast_to_WeightedSphereDistancePairScore(o)
9904 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
9906 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
9908 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9910 def __init__(self, *args):
9912 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
9913 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
9915 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
9917 def do_get_inputs(self, m, pis):
9918 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9919 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
9921 def get_score_functor(self, *args):
9923 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
9924 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
9926 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
9928 def get_version_info(self):
9929 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
9930 return _IMP_core.SoftSpherePairScore_get_version_info(self)
9931 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
9934 r"""__str__(SoftSpherePairScore self) -> std::string"""
9935 return _IMP_core.SoftSpherePairScore___str__(self)
9938 r"""__repr__(SoftSpherePairScore self) -> std::string"""
9939 return _IMP_core.SoftSpherePairScore___repr__(self)
9943 return _object_cast_to_SoftSpherePairScore(o)
9946 def _get_as_binary(self):
9947 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
9948 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
9950 def _set_from_binary(self, p):
9951 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
9952 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
9954 def __getstate__(self):
9955 p = self._get_as_binary()
9956 if len(self.__dict__) > 1:
9957 d = self.__dict__.copy()
9962 def __setstate__(self, p):
9963 if not hasattr(self,
'this'):
9965 if isinstance(p, tuple):
9967 self.__dict__.update(d)
9968 return self._set_from_binary(p)
9972 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
9974 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
9976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9978 def __init__(self, *args):
9979 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
9980 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
9982 def do_get_inputs(self, m, pis):
9983 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9984 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
9986 def get_version_info(self):
9987 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
9988 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
9989 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
9992 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
9993 return _IMP_core.SurfaceDistancePairScore___str__(self)
9996 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
9997 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10001 return _object_cast_to_SurfaceDistancePairScore(o)
10005 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10007 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10011 def __init__(self, *args):
10012 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10013 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10015 def do_get_inputs(self, m, pis):
10016 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10017 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10019 def get_version_info(self):
10020 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10021 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10022 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10025 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10026 return _IMP_core.SurfaceHeightPairScore___str__(self)
10028 def __repr__(self):
10029 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10030 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10034 return _object_cast_to_SurfaceHeightPairScore(o)
10038 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10040 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10042 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10044 def __init__(self, *args):
10045 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10046 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10048 def do_get_inputs(self, m, pis):
10049 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10050 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10052 def get_version_info(self):
10053 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10054 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10055 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10058 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10059 return _IMP_core.SurfaceDepthPairScore___str__(self)
10061 def __repr__(self):
10062 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10063 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10067 return _object_cast_to_SurfaceDepthPairScore(o)
10071 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10073 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10077 def __init__(self, *args):
10078 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10079 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10081 def do_get_inputs(self, m, pis):
10082 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10083 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10085 def get_version_info(self):
10086 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10087 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10088 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10091 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10092 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10094 def __repr__(self):
10095 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10096 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10100 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10104 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10106 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10108 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10110 def __init__(self, *args):
10111 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10112 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10114 def do_get_inputs(self, m, pis):
10115 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10116 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10118 def get_version_info(self):
10119 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10120 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10121 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10124 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10125 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10127 def __repr__(self):
10128 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10129 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10133 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10137 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10139 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10141 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10143 def __init__(self, *args):
10144 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10145 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10147 def do_get_inputs(self, m, pis):
10148 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10149 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10151 def get_version_info(self):
10152 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10153 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10154 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10157 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10158 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10160 def __repr__(self):
10161 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10162 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10166 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10170 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10172 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10174 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10176 def __init__(self, *args):
10177 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10178 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10180 def do_get_inputs(self, m, pis):
10181 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10182 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10184 def get_version_info(self):
10185 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10186 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10187 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10190 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10191 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10193 def __repr__(self):
10194 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10195 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10199 return _object_cast_to_SoftSuperSurfacePairScore(o)
10203 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10205 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10207 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10209 def __init__(self, *args):
10210 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10211 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10213 def do_get_inputs(self, m, pis):
10214 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10215 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10217 def get_version_info(self):
10218 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10219 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10220 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10223 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10224 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10226 def __repr__(self):
10227 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10228 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10232 return _object_cast_to_SoftSubSurfacePairScore(o)
10236 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10238 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10240 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10242 def __init__(self, link_num, link_length):
10243 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10244 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10246 def get_version_info(self):
10247 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10248 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10249 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10251 def get_link_number(self):
10252 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10253 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10255 def get_link_length(self):
10256 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10257 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10259 def set_link_number(self, N):
10260 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10261 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10263 def set_link_length(self, b):
10264 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10265 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10267 def get_distance_at_minimum(self):
10268 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10269 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10271 def get_average_distance(self):
10272 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10273 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10276 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10277 return _IMP_core.SurfaceTetheredChain___str__(self)
10279 def __repr__(self):
10280 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10281 return _IMP_core.SurfaceTetheredChain___repr__(self)
10285 return _object_cast_to_SurfaceTetheredChain(o)
10289 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10291 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10295 def __init__(self, m, ss, rbs):
10296 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10297 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10299 def do_get_inputs(self):
10300 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10301 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10303 def do_get_outputs(self):
10304 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10305 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10307 def get_version_info(self):
10308 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10309 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10310 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10313 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10314 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10316 def __repr__(self):
10317 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10318 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10322 return _object_cast_to_SurfaceSymmetryConstraint(o)
10326 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10328 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10330 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10332 def __init__(self, *args):
10333 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10334 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10336 def do_optimize(self, max_steps):
10337 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10338 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10340 def get_version_info(self):
10341 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10342 return _IMP_core.SteepestDescent_get_version_info(self)
10343 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10345 def set_threshold(self, t):
10346 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10347 return _IMP_core.SteepestDescent_set_threshold(self, t)
10349 def set_step_size(self, t):
10350 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10351 return _IMP_core.SteepestDescent_set_step_size(self, t)
10353 def set_maximum_step_size(self, t):
10354 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10355 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10358 r"""__str__(SteepestDescent self) -> std::string"""
10359 return _IMP_core.SteepestDescent___str__(self)
10361 def __repr__(self):
10362 r"""__repr__(SteepestDescent self) -> std::string"""
10363 return _IMP_core.SteepestDescent___repr__(self)
10367 return _object_cast_to_SteepestDescent(o)
10371 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10373 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10375 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10377 def __init__(self, f, transformation):
10378 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10379 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10381 def set_transformation(self, rot):
10382 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10383 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10385 def do_get_inputs(self, m, pis):
10386 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10387 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10389 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10390 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"""
10391 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10393 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10394 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"""
10395 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10397 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10398 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"""
10399 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10401 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10402 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"""
10403 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10405 def get_version_info(self):
10406 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10407 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10408 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10411 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10412 return _IMP_core.TransformedDistancePairScore___str__(self)
10414 def __repr__(self):
10415 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10416 return _IMP_core.TransformedDistancePairScore___repr__(self)
10420 return _object_cast_to_TransformedDistancePairScore(o)
10424 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10426 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10430 def __init__(self, typekey, allow_invalid_types=True):
10431 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10432 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10434 def set_particle_type(self, arg2):
10435 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10436 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10438 def set_pair_score(self, ps, atype, btype):
10439 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10440 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10442 def do_get_inputs(self, m, pis):
10443 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10444 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10446 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10447 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"""
10448 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10450 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10451 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"""
10452 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10454 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10455 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"""
10456 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10458 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10459 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"""
10460 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10462 def get_version_info(self):
10463 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10464 return _IMP_core.TypedPairScore_get_version_info(self)
10465 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10468 r"""__str__(TypedPairScore self) -> std::string"""
10469 return _IMP_core.TypedPairScore___str__(self)
10471 def __repr__(self):
10472 r"""__repr__(TypedPairScore self) -> std::string"""
10473 return _IMP_core.TypedPairScore___repr__(self)
10477 return _object_cast_to_TypedPairScore(o)
10481 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10482 class RigidBodyDistancePairScore(KClosePairsPairScore):
10483 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10485 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10487 def __init__(self, ps, r):
10488 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10489 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10492 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10493 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10495 def __repr__(self):
10496 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10497 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10501 return _object_cast_to_RigidBodyDistancePairScore(o)
10503 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10506 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10508 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10510 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10512 def __init__(self, f):
10513 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10514 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10516 def do_get_inputs(self, m, pis):
10517 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10518 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10520 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10521 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"""
10522 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10524 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10525 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"""
10526 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10528 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10529 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"""
10530 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10532 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10533 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"""
10534 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10536 def get_version_info(self):
10537 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10538 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10539 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10542 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10543 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10545 def __repr__(self):
10546 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10547 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10551 return _object_cast_to_RigidBodyAnglePairScore(o)
10555 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10557 r"""Proxy of C++ IMP::core::TableRefiner class."""
10559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10561 def __init__(self):
10562 r"""__init__(TableRefiner self) -> TableRefiner"""
10563 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10566 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10567 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10569 def remove_particle(self, p):
10570 r"""remove_particle(TableRefiner self, Particle p)"""
10571 return _IMP_core.TableRefiner_remove_particle(self, p)
10573 def set_particle(self, p, ps):
10574 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10575 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10577 def do_get_inputs(self, m, pis):
10578 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10579 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10581 def get_version_info(self):
10582 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10583 return _IMP_core.TableRefiner_get_version_info(self)
10584 __swig_destroy__ = _IMP_core.delete_TableRefiner
10587 r"""__str__(TableRefiner self) -> std::string"""
10588 return _IMP_core.TableRefiner___str__(self)
10590 def __repr__(self):
10591 r"""__repr__(TableRefiner self) -> std::string"""
10592 return _IMP_core.TableRefiner___repr__(self)
10596 return _object_cast_to_TableRefiner(o)
10600 _IMP_core.TableRefiner_swigregister(TableRefiner)
10601 LOWER = _IMP_core.LOWER
10603 BOTH = _IMP_core.BOTH
10605 UPPER = _IMP_core.UPPER
10608 r"""Proxy of C++ IMP::core::MCCGSampler class."""
10610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10612 def __init__(self, *args):
10613 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
10614 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
10616 def set_bounding_box(self, bb):
10617 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
10618 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
10620 def set_number_of_attempts(self, att):
10621 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
10622 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
10624 def set_number_of_monte_carlo_steps(self, cg):
10625 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
10626 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
10628 def set_number_of_conjugate_gradient_steps(self, cg):
10629 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
10630 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
10632 def set_max_monte_carlo_step_size(self, *args):
10634 set_max_monte_carlo_step_size(MCCGSampler self, double d)
10635 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
10637 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
10639 def set_is_refining(self, tf):
10640 r"""set_is_refining(MCCGSampler self, bool tf)"""
10641 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
10643 def set_local_optimizer(self, opt):
10644 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
10645 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
10647 def set_save_rejected_configurations(self, tf):
10648 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
10649 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
10651 def get_rejected_configurations(self):
10652 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
10653 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
10654 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)
10655 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
10656 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
10657 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
10659 def remove_optimizer_state(self, d):
10660 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
10661 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
10663 def _python_index_optimizer_state(self, d, start, stop):
10664 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
10665 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
10667 def remove_optimizer_states(self, d):
10668 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
10669 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
10671 def set_optimizer_states(self, ps):
10672 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
10673 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
10675 def set_optimizer_states_order(self, objs):
10676 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
10677 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
10679 def add_optimizer_state(self, obj):
10680 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
10681 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
10683 def add_optimizer_states(self, objs):
10684 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
10685 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
10687 def clear_optimizer_states(self):
10688 r"""clear_optimizer_states(MCCGSampler self)"""
10689 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
10691 def get_number_of_optimizer_states(self):
10692 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
10693 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
10695 def get_has_optimizer_states(self):
10696 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
10697 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
10699 def get_optimizer_state(self, i):
10700 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
10701 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
10703 def get_optimizer_states(self):
10704 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
10705 return _IMP_core.MCCGSampler_get_optimizer_states(self)
10707 def erase_optimizer_state(self, i):
10708 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
10709 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
10711 def reserve_optimizer_states(self, sz):
10712 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
10713 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
10715 def do_sample(self):
10716 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
10717 return _IMP_core.MCCGSampler_do_sample(self)
10719 def get_version_info(self):
10720 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
10721 return _IMP_core.MCCGSampler_get_version_info(self)
10722 __swig_destroy__ = _IMP_core.delete_MCCGSampler
10725 r"""__str__(MCCGSampler self) -> std::string"""
10726 return _IMP_core.MCCGSampler___str__(self)
10728 def __repr__(self):
10729 r"""__repr__(MCCGSampler self) -> std::string"""
10730 return _IMP_core.MCCGSampler___repr__(self)
10734 return _object_cast_to_MCCGSampler(o)
10738 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
10740 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
10742 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10744 def __init__(self, *args):
10745 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
10746 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
10748 def do_get_inputs(self):
10749 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
10750 return _IMP_core.MinimumRestraint_do_get_inputs(self)
10752 def get_version_info(self):
10753 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
10754 return _IMP_core.MinimumRestraint_get_version_info(self)
10755 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
10756 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)
10757 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
10758 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
10759 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
10761 def remove_restraint(self, d):
10762 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
10763 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
10765 def _python_index_restraint(self, d, start, stop):
10766 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
10767 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
10769 def remove_restraints(self, d):
10770 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
10771 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
10773 def set_restraints(self, ps):
10774 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
10775 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
10777 def set_restraints_order(self, objs):
10778 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
10779 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
10782 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
10783 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
10786 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
10787 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
10789 def clear_restraints(self):
10790 r"""clear_restraints(MinimumRestraint self)"""
10791 return _IMP_core.MinimumRestraint_clear_restraints(self)
10793 def get_number_of_restraints(self):
10794 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
10795 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
10797 def get_has_restraints(self):
10798 r"""get_has_restraints(MinimumRestraint self) -> bool"""
10799 return _IMP_core.MinimumRestraint_get_has_restraints(self)
10801 def get_restraint(self, i):
10802 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
10803 return _IMP_core.MinimumRestraint_get_restraint(self, i)
10805 def get_restraints(self):
10806 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
10807 return _IMP_core.MinimumRestraint_get_restraints(self)
10809 def erase_restraint(self, i):
10810 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
10811 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
10813 def reserve_restraints(self, sz):
10814 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
10815 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
10818 r"""__str__(MinimumRestraint self) -> std::string"""
10819 return _IMP_core.MinimumRestraint___str__(self)
10821 def __repr__(self):
10822 r"""__repr__(MinimumRestraint self) -> std::string"""
10823 return _IMP_core.MinimumRestraint___repr__(self)
10827 return _object_cast_to_MinimumRestraint(o)
10831 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
10832 class Gaussian(RigidBody):
10833 r"""Proxy of C++ IMP::core::Gaussian class."""
10835 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10837 def __init__(self, *args):
10839 __init__(Gaussian self) -> Gaussian
10840 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
10841 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
10843 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
10845 def show(self, *args):
10846 r"""show(Gaussian self, _ostream out=std::cout)"""
10847 return _IMP_core.Gaussian_show(self, *args)
10850 def setup_particle(*args):
10852 setup_particle(Model m, ParticleIndex pi) -> Gaussian
10853 setup_particle(_ParticleAdaptor pa) -> Gaussian
10854 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
10855 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
10857 return _IMP_core.Gaussian_setup_particle(*args)
10860 def get_local_covariance_key():
10861 r"""get_local_covariance_key() -> ObjectKey"""
10862 return _IMP_core.Gaussian_get_local_covariance_key()
10865 def get_global_covariance_key():
10866 r"""get_global_covariance_key() -> ObjectKey"""
10867 return _IMP_core.Gaussian_get_global_covariance_key()
10870 def get_is_setup(*args):
10872 get_is_setup(_ParticleAdaptor p) -> bool
10873 get_is_setup(Model m, ParticleIndex pi) -> bool
10875 return _IMP_core.Gaussian_get_is_setup(*args)
10877 def get_local_covariance(self):
10878 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
10879 return _IMP_core.Gaussian_get_local_covariance(self)
10881 def get_variances(self):
10882 r"""get_variances(Gaussian self) -> Vector3D"""
10883 return _IMP_core.Gaussian_get_variances(self)
10885 def get_global_covariance(self):
10886 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
10887 return _IMP_core.Gaussian_get_global_covariance(self)
10889 def get_gaussian(self):
10890 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
10891 return _IMP_core.Gaussian_get_gaussian(self)
10893 def set_gaussian(self, g):
10894 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
10895 return _IMP_core.Gaussian_set_gaussian(self, g)
10897 def set_local_covariance(self, covar):
10898 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
10899 return _IMP_core.Gaussian_set_local_covariance(self, covar)
10901 def set_variances(self, v):
10902 r"""set_variances(Gaussian self, Vector3D v)"""
10903 return _IMP_core.Gaussian_set_variances(self, v)
10905 def set_global_covariance(self, covar):
10906 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
10907 return _IMP_core.Gaussian_set_global_covariance(self, covar)
10909 def update_global_covariance(self):
10910 r"""update_global_covariance(Gaussian self)"""
10911 return _IMP_core.Gaussian_update_global_covariance(self)
10913 def add_attribute(self, *args):
10915 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
10916 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
10917 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
10918 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
10919 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
10920 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
10921 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
10922 add_attribute(Gaussian self, ObjectKey a0, Object a1)
10923 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
10924 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
10925 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
10926 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
10928 return _IMP_core.Gaussian_add_attribute(self, *args)
10930 def get_value(self, *args):
10932 get_value(Gaussian self, FloatKey a0) -> IMP::Float
10933 get_value(Gaussian self, IntKey a0) -> IMP::Int
10934 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
10935 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
10936 get_value(Gaussian self, StringKey a0) -> IMP::String
10937 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
10938 get_value(Gaussian self, ObjectKey a0) -> Object
10939 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
10940 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
10941 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
10942 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
10944 return _IMP_core.Gaussian_get_value(self, *args)
10946 def set_value(self, *args):
10948 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
10949 set_value(Gaussian self, IntKey a0, IMP::Int a1)
10950 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
10951 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
10952 set_value(Gaussian self, StringKey a0, IMP::String a1)
10953 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
10954 set_value(Gaussian self, ObjectKey a0, Object a1)
10955 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
10956 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
10957 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
10958 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
10960 return _IMP_core.Gaussian_set_value(self, *args)
10962 def remove_attribute(self, *args):
10964 remove_attribute(Gaussian self, FloatKey a0)
10965 remove_attribute(Gaussian self, IntKey a0)
10966 remove_attribute(Gaussian self, FloatsKey a0)
10967 remove_attribute(Gaussian self, IntsKey a0)
10968 remove_attribute(Gaussian self, StringKey a0)
10969 remove_attribute(Gaussian self, ParticleIndexKey a0)
10970 remove_attribute(Gaussian self, ObjectKey a0)
10971 remove_attribute(Gaussian self, SparseFloatKey a0)
10972 remove_attribute(Gaussian self, SparseIntKey a0)
10973 remove_attribute(Gaussian self, SparseStringKey a0)
10974 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
10976 return _IMP_core.Gaussian_remove_attribute(self, *args)
10978 def has_attribute(self, *args):
10980 has_attribute(Gaussian self, FloatKey a0) -> bool
10981 has_attribute(Gaussian self, IntKey a0) -> bool
10982 has_attribute(Gaussian self, FloatsKey a0) -> bool
10983 has_attribute(Gaussian self, IntsKey a0) -> bool
10984 has_attribute(Gaussian self, StringKey a0) -> bool
10985 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
10986 has_attribute(Gaussian self, ObjectKey a0) -> bool
10987 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
10988 has_attribute(Gaussian self, SparseIntKey a0) -> bool
10989 has_attribute(Gaussian self, SparseStringKey a0) -> bool
10990 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
10992 return _IMP_core.Gaussian_has_attribute(self, *args)
10994 def get_derivative(self, a0):
10995 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
10996 return _IMP_core.Gaussian_get_derivative(self, a0)
10998 def get_name(self):
10999 r"""get_name(Gaussian self) -> std::string"""
11000 return _IMP_core.Gaussian_get_name(self)
11002 def clear_caches(self):
11003 r"""clear_caches(Gaussian self)"""
11004 return _IMP_core.Gaussian_clear_caches(self)
11006 def set_name(self, a0):
11007 r"""set_name(Gaussian self, std::string a0)"""
11008 return _IMP_core.Gaussian_set_name(self, a0)
11011 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11012 return _IMP_core.Gaussian_set_check_level(self, a0)
11014 def add_to_derivative(self, a0, a1, a2):
11015 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11016 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11018 def set_is_optimized(self, a0, a1):
11019 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11020 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11022 def get_is_optimized(self, a0):
11023 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11024 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11027 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11028 return _IMP_core.Gaussian_get_check_level(self)
11030 def __eq__(self, *args):
11032 __eq__(Gaussian self, Gaussian o) -> bool
11033 __eq__(Gaussian self, Particle d) -> bool
11035 return _IMP_core.Gaussian___eq__(self, *args)
11037 def __ne__(self, *args):
11039 __ne__(Gaussian self, Gaussian o) -> bool
11040 __ne__(Gaussian self, Particle d) -> bool
11042 return _IMP_core.Gaussian___ne__(self, *args)
11044 def __le__(self, *args):
11046 __le__(Gaussian self, Gaussian o) -> bool
11047 __le__(Gaussian self, Particle d) -> bool
11049 return _IMP_core.Gaussian___le__(self, *args)
11051 def __lt__(self, *args):
11053 __lt__(Gaussian self, Gaussian o) -> bool
11054 __lt__(Gaussian self, Particle d) -> bool
11056 return _IMP_core.Gaussian___lt__(self, *args)
11058 def __ge__(self, *args):
11060 __ge__(Gaussian self, Gaussian o) -> bool
11061 __ge__(Gaussian self, Particle d) -> bool
11063 return _IMP_core.Gaussian___ge__(self, *args)
11065 def __gt__(self, *args):
11067 __gt__(Gaussian self, Gaussian o) -> bool
11068 __gt__(Gaussian self, Particle d) -> bool
11070 return _IMP_core.Gaussian___gt__(self, *args)
11072 def __hash__(self):
11073 r"""__hash__(Gaussian self) -> std::size_t"""
11074 return _IMP_core.Gaussian___hash__(self)
11077 r"""__str__(Gaussian self) -> std::string"""
11078 return _IMP_core.Gaussian___str__(self)
11080 def __repr__(self):
11081 r"""__repr__(Gaussian self) -> std::string"""
11082 return _IMP_core.Gaussian___repr__(self)
11084 def _get_as_binary(self):
11085 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11086 return _IMP_core.Gaussian__get_as_binary(self)
11088 def _set_from_binary(self, p):
11089 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11090 return _IMP_core.Gaussian__set_from_binary(self, p)
11092 def __getstate__(self):
11093 p = self._get_as_binary()
11094 if len(self.__dict__) > 1:
11095 d = self.__dict__.copy()
11100 def __setstate__(self, p):
11101 if not hasattr(self,
'this'):
11103 if isinstance(p, tuple):
11105 self.__dict__.update(d)
11106 return self._set_from_binary(p)
11108 __swig_destroy__ = _IMP_core.delete_Gaussian
11111 _IMP_core.Gaussian_swigregister(Gaussian)
11113 r"""Proxy of C++ IMP::core::PairRestraint class."""
11115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11117 def __init__(self, *args):
11119 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11120 __init__(PairRestraint self) -> PairRestraint
11122 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11124 def get_score_object(self):
11125 r"""get_score_object(PairRestraint self) -> PairScore"""
11126 return _IMP_core.PairRestraint_get_score_object(self)
11129 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11130 return _IMP_core.PairRestraint_get_index(self)
11132 def get_version_info(self):
11133 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11134 return _IMP_core.PairRestraint_get_version_info(self)
11135 __swig_destroy__ = _IMP_core.delete_PairRestraint
11138 r"""__str__(PairRestraint self) -> std::string"""
11139 return _IMP_core.PairRestraint___str__(self)
11141 def __repr__(self):
11142 r"""__repr__(PairRestraint self) -> std::string"""
11143 return _IMP_core.PairRestraint___repr__(self)
11147 return _object_cast_to_PairRestraint(o)
11150 def _get_as_binary(self):
11151 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11152 return _IMP_core.PairRestraint__get_as_binary(self)
11154 def _set_from_binary(self, p):
11155 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11156 return _IMP_core.PairRestraint__set_from_binary(self, p)
11158 def __getstate__(self):
11159 p = self._get_as_binary()
11160 if len(self.__dict__) > 1:
11161 d = self.__dict__.copy()
11166 def __setstate__(self, p):
11167 if not hasattr(self,
'this'):
11169 if isinstance(p, tuple):
11171 self.__dict__.update(d)
11172 return self._set_from_binary(p)
11175 def _get_jax(self):
11176 from .
import _jax_util
11177 return _jax_util._get_jax_restraint(self)
11181 _IMP_core.PairRestraint_swigregister(PairRestraint)
11183 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11185 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11187 def __init__(self, *args):
11189 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11190 __init__(SingletonRestraint self) -> SingletonRestraint
11192 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11194 def get_score_object(self):
11195 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11196 return _IMP_core.SingletonRestraint_get_score_object(self)
11199 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11200 return _IMP_core.SingletonRestraint_get_index(self)
11202 def get_version_info(self):
11203 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11204 return _IMP_core.SingletonRestraint_get_version_info(self)
11205 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11208 r"""__str__(SingletonRestraint self) -> std::string"""
11209 return _IMP_core.SingletonRestraint___str__(self)
11211 def __repr__(self):
11212 r"""__repr__(SingletonRestraint self) -> std::string"""
11213 return _IMP_core.SingletonRestraint___repr__(self)
11217 return _object_cast_to_SingletonRestraint(o)
11220 def _get_as_binary(self):
11221 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11222 return _IMP_core.SingletonRestraint__get_as_binary(self)
11224 def _set_from_binary(self, p):
11225 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11226 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11228 def __getstate__(self):
11229 p = self._get_as_binary()
11230 if len(self.__dict__) > 1:
11231 d = self.__dict__.copy()
11236 def __setstate__(self, p):
11237 if not hasattr(self,
'this'):
11239 if isinstance(p, tuple):
11241 self.__dict__.update(d)
11242 return self._set_from_binary(p)
11245 def _get_jax(self):
11246 from .
import _jax_util
11247 return _jax_util._get_jax_restraint(self)
11251 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11253 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11257 def __init__(self, *args):
11259 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11260 __init__(TripletRestraint self) -> TripletRestraint
11262 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11264 def get_score_object(self):
11265 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11266 return _IMP_core.TripletRestraint_get_score_object(self)
11269 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11270 return _IMP_core.TripletRestraint_get_index(self)
11272 def get_version_info(self):
11273 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11274 return _IMP_core.TripletRestraint_get_version_info(self)
11275 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11278 r"""__str__(TripletRestraint self) -> std::string"""
11279 return _IMP_core.TripletRestraint___str__(self)
11281 def __repr__(self):
11282 r"""__repr__(TripletRestraint self) -> std::string"""
11283 return _IMP_core.TripletRestraint___repr__(self)
11287 return _object_cast_to_TripletRestraint(o)
11290 def _get_as_binary(self):
11291 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11292 return _IMP_core.TripletRestraint__get_as_binary(self)
11294 def _set_from_binary(self, p):
11295 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11296 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11298 def __getstate__(self):
11299 p = self._get_as_binary()
11300 if len(self.__dict__) > 1:
11301 d = self.__dict__.copy()
11306 def __setstate__(self, p):
11307 if not hasattr(self,
'this'):
11309 if isinstance(p, tuple):
11311 self.__dict__.update(d)
11312 return self._set_from_binary(p)
11316 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11318 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11322 def __init__(self, *args):
11324 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11325 __init__(QuadRestraint self) -> QuadRestraint
11327 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11329 def get_score_object(self):
11330 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11331 return _IMP_core.QuadRestraint_get_score_object(self)
11334 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11335 return _IMP_core.QuadRestraint_get_index(self)
11337 def get_version_info(self):
11338 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11339 return _IMP_core.QuadRestraint_get_version_info(self)
11340 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11343 r"""__str__(QuadRestraint self) -> std::string"""
11344 return _IMP_core.QuadRestraint___str__(self)
11346 def __repr__(self):
11347 r"""__repr__(QuadRestraint self) -> std::string"""
11348 return _IMP_core.QuadRestraint___repr__(self)
11352 return _object_cast_to_QuadRestraint(o)
11355 def _get_as_binary(self):
11356 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11357 return _IMP_core.QuadRestraint__get_as_binary(self)
11359 def _set_from_binary(self, p):
11360 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11361 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11363 def __getstate__(self):
11364 p = self._get_as_binary()
11365 if len(self.__dict__) > 1:
11366 d = self.__dict__.copy()
11371 def __setstate__(self, p):
11372 if not hasattr(self,
'this'):
11374 if isinstance(p, tuple):
11376 self.__dict__.update(d)
11377 return self._set_from_binary(p)
11381 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11383 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11387 def __init__(self, *args):
11389 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11390 __init__(SingletonConstraint self) -> SingletonConstraint
11392 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11394 def get_before_modifier(self):
11395 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11396 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11399 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11400 return _IMP_core.SingletonConstraint_get_index(self)
11402 def get_version_info(self):
11403 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11404 return _IMP_core.SingletonConstraint_get_version_info(self)
11405 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11408 r"""__str__(SingletonConstraint self) -> std::string"""
11409 return _IMP_core.SingletonConstraint___str__(self)
11411 def __repr__(self):
11412 r"""__repr__(SingletonConstraint self) -> std::string"""
11413 return _IMP_core.SingletonConstraint___repr__(self)
11417 return _object_cast_to_SingletonConstraint(o)
11420 def _get_as_binary(self):
11421 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11422 return _IMP_core.SingletonConstraint__get_as_binary(self)
11424 def _set_from_binary(self, p):
11425 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11426 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11428 def __getstate__(self):
11429 p = self._get_as_binary()
11430 if len(self.__dict__) > 1:
11431 d = self.__dict__.copy()
11436 def __setstate__(self, p):
11437 if not hasattr(self,
'this'):
11439 if isinstance(p, tuple):
11441 self.__dict__.update(d)
11442 return self._set_from_binary(p)
11445 def _get_jax(self):
11447 index = self.get_index()
11448 mod = self.get_before_modifier().get_derived_object()
11449 ji = mod._get_jax(self.get_model(), index)
11450 return self._wrap_jax(
11451 functools.partial(ji.apply_func, indexes=index),
11456 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11458 r"""Proxy of C++ IMP::core::PairConstraint class."""
11460 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11462 def __init__(self, *args):
11464 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11465 __init__(PairConstraint self) -> PairConstraint
11467 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11469 def get_before_modifier(self):
11470 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11471 return _IMP_core.PairConstraint_get_before_modifier(self)
11474 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11475 return _IMP_core.PairConstraint_get_index(self)
11477 def get_version_info(self):
11478 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11479 return _IMP_core.PairConstraint_get_version_info(self)
11480 __swig_destroy__ = _IMP_core.delete_PairConstraint
11483 r"""__str__(PairConstraint self) -> std::string"""
11484 return _IMP_core.PairConstraint___str__(self)
11486 def __repr__(self):
11487 r"""__repr__(PairConstraint self) -> std::string"""
11488 return _IMP_core.PairConstraint___repr__(self)
11492 return _object_cast_to_PairConstraint(o)
11495 def _get_as_binary(self):
11496 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11497 return _IMP_core.PairConstraint__get_as_binary(self)
11499 def _set_from_binary(self, p):
11500 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11501 return _IMP_core.PairConstraint__set_from_binary(self, p)
11503 def __getstate__(self):
11504 p = self._get_as_binary()
11505 if len(self.__dict__) > 1:
11506 d = self.__dict__.copy()
11511 def __setstate__(self, p):
11512 if not hasattr(self,
'this'):
11514 if isinstance(p, tuple):
11516 self.__dict__.update(d)
11517 return self._set_from_binary(p)
11521 _IMP_core.PairConstraint_swigregister(PairConstraint)
11523 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11527 def __init__(self, *args):
11529 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11530 __init__(TripletConstraint self) -> TripletConstraint
11532 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11534 def get_before_modifier(self):
11535 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11536 return _IMP_core.TripletConstraint_get_before_modifier(self)
11539 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11540 return _IMP_core.TripletConstraint_get_index(self)
11542 def get_version_info(self):
11543 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11544 return _IMP_core.TripletConstraint_get_version_info(self)
11545 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11548 r"""__str__(TripletConstraint self) -> std::string"""
11549 return _IMP_core.TripletConstraint___str__(self)
11551 def __repr__(self):
11552 r"""__repr__(TripletConstraint self) -> std::string"""
11553 return _IMP_core.TripletConstraint___repr__(self)
11557 return _object_cast_to_TripletConstraint(o)
11560 def _get_as_binary(self):
11561 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11562 return _IMP_core.TripletConstraint__get_as_binary(self)
11564 def _set_from_binary(self, p):
11565 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11566 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11568 def __getstate__(self):
11569 p = self._get_as_binary()
11570 if len(self.__dict__) > 1:
11571 d = self.__dict__.copy()
11576 def __setstate__(self, p):
11577 if not hasattr(self,
'this'):
11579 if isinstance(p, tuple):
11581 self.__dict__.update(d)
11582 return self._set_from_binary(p)
11586 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11588 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11590 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11592 def __init__(self, *args):
11594 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11595 __init__(QuadConstraint self) -> QuadConstraint
11597 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
11599 def get_before_modifier(self):
11600 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
11601 return _IMP_core.QuadConstraint_get_before_modifier(self)
11604 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
11605 return _IMP_core.QuadConstraint_get_index(self)
11607 def get_version_info(self):
11608 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
11609 return _IMP_core.QuadConstraint_get_version_info(self)
11610 __swig_destroy__ = _IMP_core.delete_QuadConstraint
11613 r"""__str__(QuadConstraint self) -> std::string"""
11614 return _IMP_core.QuadConstraint___str__(self)
11616 def __repr__(self):
11617 r"""__repr__(QuadConstraint self) -> std::string"""
11618 return _IMP_core.QuadConstraint___repr__(self)
11622 return _object_cast_to_QuadConstraint(o)
11625 def _get_as_binary(self):
11626 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
11627 return _IMP_core.QuadConstraint__get_as_binary(self)
11629 def _set_from_binary(self, p):
11630 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
11631 return _IMP_core.QuadConstraint__set_from_binary(self, p)
11633 def __getstate__(self):
11634 p = self._get_as_binary()
11635 if len(self.__dict__) > 1:
11636 d = self.__dict__.copy()
11641 def __setstate__(self, p):
11642 if not hasattr(self,
'this'):
11644 if isinstance(p, tuple):
11646 self.__dict__.update(d)
11647 return self._set_from_binary(p)
11651 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
11653 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
11655 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11657 def __init__(self, *args):
11659 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
11660 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
11662 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
11664 def do_get_inputs(self, arg2, arg3):
11665 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11666 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
11668 def get_value(self, *args):
11670 get_value(ConstantSingletonPredicate self, Particle a) -> int
11671 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11673 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
11675 def get_value_index(self, *args):
11677 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
11678 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11680 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
11682 def get_version_info(self):
11683 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
11684 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
11685 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
11688 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
11689 return _IMP_core.ConstantSingletonPredicate___str__(self)
11691 def __repr__(self):
11692 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
11693 return _IMP_core.ConstantSingletonPredicate___repr__(self)
11697 return _object_cast_to_ConstantSingletonPredicate(o)
11700 def _get_as_binary(self):
11701 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
11702 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
11704 def _set_from_binary(self, p):
11705 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
11706 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
11708 def __getstate__(self):
11709 p = self._get_as_binary()
11710 if len(self.__dict__) > 1:
11711 d = self.__dict__.copy()
11716 def __setstate__(self, p):
11717 if not hasattr(self,
'this'):
11719 if isinstance(p, tuple):
11721 self.__dict__.update(d)
11722 return self._set_from_binary(p)
11726 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
11728 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
11730 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11732 def __init__(self, *args):
11733 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
11734 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
11736 def do_get_inputs(self, m, pis):
11737 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11738 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
11740 def get_value(self, *args):
11742 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
11743 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11745 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
11747 def get_value_index(self, *args):
11749 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
11750 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11752 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
11754 def get_version_info(self):
11755 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
11756 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
11757 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
11760 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
11761 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
11763 def __repr__(self):
11764 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
11765 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
11769 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
11772 def _get_as_binary(self):
11773 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
11774 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
11776 def _set_from_binary(self, p):
11777 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
11778 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
11780 def __getstate__(self):
11781 p = self._get_as_binary()
11782 if len(self.__dict__) > 1:
11783 d = self.__dict__.copy()
11788 def __setstate__(self, p):
11789 if not hasattr(self,
'this'):
11791 if isinstance(p, tuple):
11793 self.__dict__.update(d)
11794 return self._set_from_binary(p)
11798 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
11800 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
11802 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11804 def __init__(self, *args):
11805 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
11806 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
11808 def do_get_inputs(self, m, pis):
11809 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11810 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
11812 def get_value(self, *args):
11814 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
11815 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
11816 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11818 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
11820 def get_value_index(self, *args):
11822 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
11823 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11825 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
11827 def get_version_info(self):
11828 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
11829 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
11830 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
11833 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
11834 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
11836 def __repr__(self):
11837 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
11838 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
11842 return _object_cast_to_OrderedTypeSingletonPredicate(o)
11846 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
11848 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
11850 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11852 def __init__(self, *args):
11853 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
11854 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
11856 def do_get_inputs(self, arg2, arg3):
11857 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11858 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
11860 def get_value(self, *args):
11862 get_value(AllSameSingletonPredicate self, Particle a) -> int
11863 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11865 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
11867 def get_value_index(self, *args):
11869 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
11870 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11872 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
11874 def get_version_info(self):
11875 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
11876 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
11877 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
11880 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
11881 return _IMP_core.AllSameSingletonPredicate___str__(self)
11883 def __repr__(self):
11884 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
11885 return _IMP_core.AllSameSingletonPredicate___repr__(self)
11889 return _object_cast_to_AllSameSingletonPredicate(o)
11892 def _get_as_binary(self):
11893 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
11894 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
11896 def _set_from_binary(self, p):
11897 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
11898 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
11900 def __getstate__(self):
11901 p = self._get_as_binary()
11902 if len(self.__dict__) > 1:
11903 d = self.__dict__.copy()
11908 def __setstate__(self, p):
11909 if not hasattr(self,
'this'):
11911 if isinstance(p, tuple):
11913 self.__dict__.update(d)
11914 return self._set_from_binary(p)
11918 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
11920 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
11922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11924 def __init__(self, *args):
11925 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
11926 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
11928 def do_get_inputs(self, arg2, arg3):
11929 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11930 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
11932 def get_value(self, *args):
11934 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
11935 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11937 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
11939 def get_value_index(self, *args):
11941 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
11942 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11944 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
11946 def get_version_info(self):
11947 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
11948 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
11949 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
11952 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
11953 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
11955 def __repr__(self):
11956 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
11957 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
11961 return _object_cast_to_CoinFlipSingletonPredicate(o)
11965 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
11967 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
11969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11971 def __init__(self, *args):
11973 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
11974 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
11976 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
11978 def do_get_inputs(self, arg2, arg3):
11979 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11980 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
11982 def get_value(self, *args):
11984 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
11985 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
11987 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
11989 def get_value_index(self, *args):
11991 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
11992 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
11994 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
11996 def get_version_info(self):
11997 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
11998 return _IMP_core.ConstantPairPredicate_get_version_info(self)
11999 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12002 r"""__str__(ConstantPairPredicate self) -> std::string"""
12003 return _IMP_core.ConstantPairPredicate___str__(self)
12005 def __repr__(self):
12006 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12007 return _IMP_core.ConstantPairPredicate___repr__(self)
12011 return _object_cast_to_ConstantPairPredicate(o)
12014 def _get_as_binary(self):
12015 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12016 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12018 def _set_from_binary(self, p):
12019 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12020 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12022 def __getstate__(self):
12023 p = self._get_as_binary()
12024 if len(self.__dict__) > 1:
12025 d = self.__dict__.copy()
12030 def __setstate__(self, p):
12031 if not hasattr(self,
'this'):
12033 if isinstance(p, tuple):
12035 self.__dict__.update(d)
12036 return self._set_from_binary(p)
12040 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12042 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12044 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12046 def __init__(self, *args):
12047 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12048 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12050 def do_get_inputs(self, m, pis):
12051 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12052 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12054 def get_value(self, *args):
12056 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12057 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12059 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12061 def get_value_index(self, *args):
12063 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12064 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12066 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12068 def get_version_info(self):
12069 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12070 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12071 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12074 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12075 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12077 def __repr__(self):
12078 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12079 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12083 return _object_cast_to_UnorderedTypePairPredicate(o)
12086 def _get_as_binary(self):
12087 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12088 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12090 def _set_from_binary(self, p):
12091 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12092 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12094 def __getstate__(self):
12095 p = self._get_as_binary()
12096 if len(self.__dict__) > 1:
12097 d = self.__dict__.copy()
12102 def __setstate__(self, p):
12103 if not hasattr(self,
'this'):
12105 if isinstance(p, tuple):
12107 self.__dict__.update(d)
12108 return self._set_from_binary(p)
12112 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12114 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12118 def __init__(self, *args):
12119 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12120 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12122 def do_get_inputs(self, m, pis):
12123 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12124 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12126 def get_value(self, *args):
12128 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12129 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12130 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12132 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12134 def get_value_index(self, *args):
12136 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12137 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12139 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12141 def get_version_info(self):
12142 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12143 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12144 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12147 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12148 return _IMP_core.OrderedTypePairPredicate___str__(self)
12150 def __repr__(self):
12151 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12152 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12156 return _object_cast_to_OrderedTypePairPredicate(o)
12160 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12162 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12166 def __init__(self, *args):
12167 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12168 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12170 def do_get_inputs(self, arg2, arg3):
12171 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12172 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12174 def get_value(self, *args):
12176 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12177 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12179 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12181 def get_value_index(self, *args):
12183 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12184 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12186 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12188 def get_version_info(self):
12189 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12190 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12191 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12194 r"""__str__(AllSamePairPredicate self) -> std::string"""
12195 return _IMP_core.AllSamePairPredicate___str__(self)
12197 def __repr__(self):
12198 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12199 return _IMP_core.AllSamePairPredicate___repr__(self)
12203 return _object_cast_to_AllSamePairPredicate(o)
12206 def _get_as_binary(self):
12207 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12208 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12210 def _set_from_binary(self, p):
12211 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12212 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12214 def __getstate__(self):
12215 p = self._get_as_binary()
12216 if len(self.__dict__) > 1:
12217 d = self.__dict__.copy()
12222 def __setstate__(self, p):
12223 if not hasattr(self,
'this'):
12225 if isinstance(p, tuple):
12227 self.__dict__.update(d)
12228 return self._set_from_binary(p)
12232 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12234 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12238 def __init__(self, *args):
12239 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12240 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12242 def do_get_inputs(self, arg2, arg3):
12243 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12244 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12246 def get_value(self, *args):
12248 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12249 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12251 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12253 def get_value_index(self, *args):
12255 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12256 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12258 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12260 def get_version_info(self):
12261 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12262 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12263 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12266 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12267 return _IMP_core.CoinFlipPairPredicate___str__(self)
12269 def __repr__(self):
12270 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12271 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12275 return _object_cast_to_CoinFlipPairPredicate(o)
12279 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12281 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12285 def __init__(self, *args):
12287 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12288 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12290 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12292 def do_get_inputs(self, arg2, arg3):
12293 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12294 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12296 def get_value(self, *args):
12298 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12299 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12301 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12303 def get_value_index(self, *args):
12305 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12306 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12308 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12310 def get_version_info(self):
12311 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12312 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12313 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12316 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12317 return _IMP_core.ConstantTripletPredicate___str__(self)
12319 def __repr__(self):
12320 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12321 return _IMP_core.ConstantTripletPredicate___repr__(self)
12325 return _object_cast_to_ConstantTripletPredicate(o)
12328 def _get_as_binary(self):
12329 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12330 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12332 def _set_from_binary(self, p):
12333 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12334 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12336 def __getstate__(self):
12337 p = self._get_as_binary()
12338 if len(self.__dict__) > 1:
12339 d = self.__dict__.copy()
12344 def __setstate__(self, p):
12345 if not hasattr(self,
'this'):
12347 if isinstance(p, tuple):
12349 self.__dict__.update(d)
12350 return self._set_from_binary(p)
12354 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12356 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12360 def __init__(self, *args):
12361 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12362 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12364 def do_get_inputs(self, m, pis):
12365 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12366 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12368 def get_value(self, *args):
12370 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12371 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12373 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12375 def get_value_index(self, *args):
12377 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12378 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12380 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12382 def get_version_info(self):
12383 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12384 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12385 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12388 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12389 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12391 def __repr__(self):
12392 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12393 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12397 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12400 def _get_as_binary(self):
12401 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12402 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12404 def _set_from_binary(self, p):
12405 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12406 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12408 def __getstate__(self):
12409 p = self._get_as_binary()
12410 if len(self.__dict__) > 1:
12411 d = self.__dict__.copy()
12416 def __setstate__(self, p):
12417 if not hasattr(self,
'this'):
12419 if isinstance(p, tuple):
12421 self.__dict__.update(d)
12422 return self._set_from_binary(p)
12426 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12428 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12430 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12432 def __init__(self, *args):
12433 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12434 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12436 def do_get_inputs(self, m, pis):
12437 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12438 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12440 def get_value(self, *args):
12442 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12443 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12444 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12446 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12448 def get_value_index(self, *args):
12450 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12451 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12453 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12455 def get_version_info(self):
12456 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12457 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12458 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12461 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12462 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12464 def __repr__(self):
12465 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12466 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12470 return _object_cast_to_OrderedTypeTripletPredicate(o)
12474 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12476 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12478 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12480 def __init__(self, *args):
12481 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12482 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12484 def do_get_inputs(self, arg2, arg3):
12485 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12486 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12488 def get_value(self, *args):
12490 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12491 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12493 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12495 def get_value_index(self, *args):
12497 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12498 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12500 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12502 def get_version_info(self):
12503 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12504 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12505 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12508 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12509 return _IMP_core.AllSameTripletPredicate___str__(self)
12511 def __repr__(self):
12512 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12513 return _IMP_core.AllSameTripletPredicate___repr__(self)
12517 return _object_cast_to_AllSameTripletPredicate(o)
12520 def _get_as_binary(self):
12521 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12522 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12524 def _set_from_binary(self, p):
12525 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12526 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12528 def __getstate__(self):
12529 p = self._get_as_binary()
12530 if len(self.__dict__) > 1:
12531 d = self.__dict__.copy()
12536 def __setstate__(self, p):
12537 if not hasattr(self,
'this'):
12539 if isinstance(p, tuple):
12541 self.__dict__.update(d)
12542 return self._set_from_binary(p)
12546 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12548 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12550 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12552 def __init__(self, *args):
12553 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12554 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12556 def do_get_inputs(self, arg2, arg3):
12557 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12558 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12560 def get_value(self, *args):
12562 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12563 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12565 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12567 def get_value_index(self, *args):
12569 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12570 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12572 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12574 def get_version_info(self):
12575 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12576 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12577 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12580 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12581 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12583 def __repr__(self):
12584 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12585 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12589 return _object_cast_to_CoinFlipTripletPredicate(o)
12593 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12595 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
12597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12599 def __init__(self, *args):
12601 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
12602 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
12604 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
12606 def do_get_inputs(self, arg2, arg3):
12607 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12608 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
12610 def get_value(self, *args):
12612 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
12613 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12615 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
12617 def get_value_index(self, *args):
12619 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12620 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12622 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
12624 def get_version_info(self):
12625 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
12626 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
12627 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
12630 r"""__str__(ConstantQuadPredicate self) -> std::string"""
12631 return _IMP_core.ConstantQuadPredicate___str__(self)
12633 def __repr__(self):
12634 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
12635 return _IMP_core.ConstantQuadPredicate___repr__(self)
12639 return _object_cast_to_ConstantQuadPredicate(o)
12642 def _get_as_binary(self):
12643 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
12644 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
12646 def _set_from_binary(self, p):
12647 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
12648 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
12650 def __getstate__(self):
12651 p = self._get_as_binary()
12652 if len(self.__dict__) > 1:
12653 d = self.__dict__.copy()
12658 def __setstate__(self, p):
12659 if not hasattr(self,
'this'):
12661 if isinstance(p, tuple):
12663 self.__dict__.update(d)
12664 return self._set_from_binary(p)
12668 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
12670 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
12672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12674 def __init__(self, *args):
12675 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
12676 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
12678 def do_get_inputs(self, m, pis):
12679 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12680 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
12682 def get_value(self, *args):
12684 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
12685 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12687 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
12689 def get_value_index(self, *args):
12691 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12692 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12694 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
12696 def get_version_info(self):
12697 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
12698 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
12699 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
12702 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
12703 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
12705 def __repr__(self):
12706 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
12707 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
12711 return _object_cast_to_UnorderedTypeQuadPredicate(o)
12714 def _get_as_binary(self):
12715 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
12716 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
12718 def _set_from_binary(self, p):
12719 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
12720 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
12722 def __getstate__(self):
12723 p = self._get_as_binary()
12724 if len(self.__dict__) > 1:
12725 d = self.__dict__.copy()
12730 def __setstate__(self, p):
12731 if not hasattr(self,
'this'):
12733 if isinstance(p, tuple):
12735 self.__dict__.update(d)
12736 return self._set_from_binary(p)
12740 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
12742 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
12744 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12746 def __init__(self, *args):
12747 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
12748 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
12750 def do_get_inputs(self, m, pis):
12751 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12752 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
12754 def get_value(self, *args):
12756 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
12757 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
12758 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12760 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
12762 def get_value_index(self, *args):
12764 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12765 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12767 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
12769 def get_version_info(self):
12770 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
12771 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
12772 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
12775 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
12776 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
12778 def __repr__(self):
12779 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
12780 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
12784 return _object_cast_to_OrderedTypeQuadPredicate(o)
12788 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
12790 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
12792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12794 def __init__(self, *args):
12795 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
12796 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
12798 def do_get_inputs(self, arg2, arg3):
12799 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12800 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
12802 def get_value(self, *args):
12804 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
12805 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12807 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
12809 def get_value_index(self, *args):
12811 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12812 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12814 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
12816 def get_version_info(self):
12817 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
12818 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
12819 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
12822 r"""__str__(AllSameQuadPredicate self) -> std::string"""
12823 return _IMP_core.AllSameQuadPredicate___str__(self)
12825 def __repr__(self):
12826 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
12827 return _IMP_core.AllSameQuadPredicate___repr__(self)
12831 return _object_cast_to_AllSameQuadPredicate(o)
12834 def _get_as_binary(self):
12835 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
12836 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
12838 def _set_from_binary(self, p):
12839 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
12840 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
12842 def __getstate__(self):
12843 p = self._get_as_binary()
12844 if len(self.__dict__) > 1:
12845 d = self.__dict__.copy()
12850 def __setstate__(self, p):
12851 if not hasattr(self,
'this'):
12853 if isinstance(p, tuple):
12855 self.__dict__.update(d)
12856 return self._set_from_binary(p)
12860 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
12862 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
12864 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12866 def __init__(self, *args):
12867 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
12868 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
12870 def do_get_inputs(self, arg2, arg3):
12871 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12872 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
12874 def get_value(self, *args):
12876 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
12877 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12879 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
12881 def get_value_index(self, *args):
12883 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12884 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12886 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
12888 def get_version_info(self):
12889 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
12890 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
12891 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
12894 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
12895 return _IMP_core.CoinFlipQuadPredicate___str__(self)
12897 def __repr__(self):
12898 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
12899 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
12903 return _object_cast_to_CoinFlipQuadPredicate(o)
12907 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
12909 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
12911 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12913 def __init__(self, *args):
12914 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
12915 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
12917 def do_get_inputs(self, m, pi):
12918 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
12919 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
12921 def get_value(self, *args):
12923 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
12924 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12926 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
12928 def get_value_index(self, *args):
12930 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
12931 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12933 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
12935 def get_version_info(self):
12936 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
12937 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
12938 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
12941 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
12942 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
12944 def __repr__(self):
12945 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
12946 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
12950 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
12954 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
12956 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
12958 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12960 def __init__(self, *args):
12961 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
12962 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
12964 def do_get_inputs(self, m, pi):
12965 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
12966 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
12968 def get_value(self, *args):
12970 get_value(AttributeSingletonPredicate self, Particle a) -> int
12971 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12973 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
12975 def get_value_index(self, *args):
12977 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12978 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12980 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
12982 def get_version_info(self):
12983 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
12984 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
12985 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
12988 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
12989 return _IMP_core.AttributeSingletonPredicate___str__(self)
12991 def __repr__(self):
12992 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
12993 return _IMP_core.AttributeSingletonPredicate___repr__(self)
12997 return _object_cast_to_AttributeSingletonPredicate(o)
13001 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13003 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13005 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13007 def __init__(self, *args):
13008 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13009 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13011 def do_get_inputs(self, m, pi):
13012 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13013 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13015 def get_value(self, *args):
13017 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13018 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13020 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13022 def get_value_index(self, *args):
13024 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13025 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13027 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13029 def get_version_info(self):
13030 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13031 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13032 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13035 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13036 return _IMP_core.IsCollisionPairPredicate___str__(self)
13038 def __repr__(self):
13039 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13040 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13044 return _object_cast_to_IsCollisionPairPredicate(o)
13048 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13049 class AngleRestraint(TripletRestraint):
13050 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13052 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13054 def __init__(self, *args):
13056 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13057 __init__(AngleRestraint self) -> AngleRestraint
13059 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13060 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13063 r"""__str__(AngleRestraint self) -> std::string"""
13064 return _IMP_core.AngleRestraint___str__(self)
13066 def __repr__(self):
13067 r"""__repr__(AngleRestraint self) -> std::string"""
13068 return _IMP_core.AngleRestraint___repr__(self)
13072 return _object_cast_to_AngleRestraint(o)
13075 def _get_as_binary(self):
13076 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13077 return _IMP_core.AngleRestraint__get_as_binary(self)
13079 def _set_from_binary(self, p):
13080 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13081 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13083 def __getstate__(self):
13084 p = self._get_as_binary()
13085 if len(self.__dict__) > 1:
13086 d = self.__dict__.copy()
13091 def __setstate__(self, p):
13092 if not hasattr(self,
'this'):
13094 if isinstance(p, tuple):
13096 self.__dict__.update(d)
13097 return self._set_from_binary(p)
13101 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13102 class RigidBodyMover(MonteCarloMover):
13103 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13107 def __init__(self, *args):
13109 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13110 __init__(RigidBodyMover self) -> RigidBodyMover
13112 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13114 def set_maximum_translation(self, mt):
13115 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13116 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13118 def set_maximum_rotation(self, mr):
13119 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13120 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13122 def get_maximum_translation(self):
13123 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13124 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13126 def get_maximum_rotation(self):
13127 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13128 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13130 def get_version_info(self):
13131 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13132 return _IMP_core.RigidBodyMover_get_version_info(self)
13133 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13136 r"""__str__(RigidBodyMover self) -> std::string"""
13137 return _IMP_core.RigidBodyMover___str__(self)
13139 def __repr__(self):
13140 r"""__repr__(RigidBodyMover self) -> std::string"""
13141 return _IMP_core.RigidBodyMover___repr__(self)
13145 return _object_cast_to_RigidBodyMover(o)
13148 def _get_as_binary(self):
13149 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13150 return _IMP_core.RigidBodyMover__get_as_binary(self)
13152 def _set_from_binary(self, p):
13153 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13154 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13156 def __getstate__(self):
13157 p = self._get_as_binary()
13158 if len(self.__dict__) > 1:
13159 d = self.__dict__.copy()
13164 def __setstate__(self, p):
13165 if not hasattr(self,
'this'):
13167 if isinstance(p, tuple):
13169 self.__dict__.update(d)
13170 return self._set_from_binary(p)
13174 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13175 class RigidBodyTunneler(MonteCarloMover):
13176 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13178 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13180 def __init__(self, m, pis, ref, k, move_probability=1.):
13181 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13182 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13184 def add_entry_point(self, fl):
13185 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13186 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13188 def reset_stats(self):
13189 r"""reset_stats(RigidBodyTunneler self)"""
13190 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13192 def get_number_of_rejected_moves(self):
13193 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13194 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13196 def get_number_of_proposed_moves(self):
13197 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13198 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13200 def get_number_of_impossible_moves(self):
13201 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13202 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13204 def get_number_of_calls(self):
13205 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13206 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13209 def get_reduced_coordinates(*args):
13211 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13212 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13214 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13217 def set_reduced_coordinates(m, target, ref, coords):
13218 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13219 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13221 def get_version_info(self):
13222 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13223 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13224 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13227 r"""__str__(RigidBodyTunneler self) -> std::string"""
13228 return _IMP_core.RigidBodyTunneler___str__(self)
13230 def __repr__(self):
13231 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13232 return _IMP_core.RigidBodyTunneler___repr__(self)
13236 return _object_cast_to_RigidBodyTunneler(o)
13240 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13242 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13246 def __init__(self, *args):
13248 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13249 __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
13251 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13253 def set_x0(self, *args):
13255 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13256 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13258 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13261 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13262 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13265 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13266 return _IMP_core.RigidBodyUmbrella_get_x(self)
13268 def set_alpha(self, alpha):
13269 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13270 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13272 def set_k(self, k):
13273 r"""set_k(RigidBodyUmbrella self, double k)"""
13274 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13276 def get_version_info(self):
13277 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13278 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13279 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13282 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13283 return _IMP_core.RigidBodyUmbrella___str__(self)
13285 def __repr__(self):
13286 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13287 return _IMP_core.RigidBodyUmbrella___repr__(self)
13291 return _object_cast_to_RigidBodyUmbrella(o)
13295 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13297 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13299 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13301 def __init__(self, f, sc, volume):
13302 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13303 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13305 def do_get_inputs(self):
13306 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13307 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13309 def get_version_info(self):
13310 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13311 return _IMP_core.VolumeRestraint_get_version_info(self)
13312 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13315 r"""__str__(VolumeRestraint self) -> std::string"""
13316 return _IMP_core.VolumeRestraint___str__(self)
13318 def __repr__(self):
13319 r"""__repr__(VolumeRestraint self) -> std::string"""
13320 return _IMP_core.VolumeRestraint___repr__(self)
13324 return _object_cast_to_VolumeRestraint(o)
13328 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13331 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13332 return _IMP_core.get_centroid(ps)
13335 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13336 return _IMP_core.get_bounding_box(ps)
13338 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13342 def __init__(self, ps):
13343 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13344 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13346 def show_statistics(self, *args):
13347 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13348 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13351 r"""reset(MoveStatisticsScoreState self)"""
13352 return _IMP_core.MoveStatisticsScoreState_reset(self)
13354 def do_before_evaluate(self):
13355 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13356 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13358 def do_after_evaluate(self, da):
13359 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13360 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13362 def do_get_inputs(self):
13363 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13364 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13366 def do_get_outputs(self):
13367 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13368 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13370 def get_version_info(self):
13371 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13372 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13373 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13376 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13377 return _IMP_core.MoveStatisticsScoreState___str__(self)
13379 def __repr__(self):
13380 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13381 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13385 return _object_cast_to_MoveStatisticsScoreState(o)
13389 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13390 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13393 r"""Proxy of C++ IMP::core::Typed class."""
13395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13398 def get_type_key():
13399 r"""get_type_key() -> IntKey"""
13400 return _IMP_core.Typed_get_type_key()
13402 def __init__(self, *args):
13404 __init__(Typed self) -> Typed
13405 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13406 __init__(Typed self, _ParticleAdaptor d) -> Typed
13408 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13410 def show(self, *args):
13411 r"""show(Typed self, _ostream out=std::cout)"""
13412 return _IMP_core.Typed_show(self, *args)
13415 def setup_particle(*args):
13417 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13418 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13420 return _IMP_core.Typed_setup_particle(*args)
13423 def get_is_setup(*args):
13425 get_is_setup(_ParticleAdaptor p) -> bool
13426 get_is_setup(Model m, ParticleIndex pi) -> bool
13428 return _IMP_core.Typed_get_is_setup(*args)
13430 def get_type(self):
13431 r"""get_type(Typed self) -> ParticleType"""
13432 return _IMP_core.Typed_get_type(self)
13434 def set_type(self, pt):
13435 r"""set_type(Typed self, ParticleType pt)"""
13436 return _IMP_core.Typed_set_type(self, pt)
13438 def add_attribute(self, *args):
13440 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13441 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13442 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13443 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13444 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13445 add_attribute(Typed self, StringKey a0, IMP::String a1)
13446 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13447 add_attribute(Typed self, ObjectKey a0, Object a1)
13448 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13449 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13450 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13451 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13453 return _IMP_core.Typed_add_attribute(self, *args)
13455 def get_value(self, *args):
13457 get_value(Typed self, FloatKey a0) -> IMP::Float
13458 get_value(Typed self, IntKey a0) -> IMP::Int
13459 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13460 get_value(Typed self, IntsKey a0) -> IMP::Ints
13461 get_value(Typed self, StringKey a0) -> IMP::String
13462 get_value(Typed self, ParticleIndexKey a0) -> Particle
13463 get_value(Typed self, ObjectKey a0) -> Object
13464 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13465 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13466 get_value(Typed self, SparseStringKey a0) -> IMP::String
13467 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13469 return _IMP_core.Typed_get_value(self, *args)
13471 def set_value(self, *args):
13473 set_value(Typed self, FloatKey a0, IMP::Float a1)
13474 set_value(Typed self, IntKey a0, IMP::Int a1)
13475 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13476 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13477 set_value(Typed self, StringKey a0, IMP::String a1)
13478 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13479 set_value(Typed self, ObjectKey a0, Object a1)
13480 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13481 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13482 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13483 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13485 return _IMP_core.Typed_set_value(self, *args)
13487 def remove_attribute(self, *args):
13489 remove_attribute(Typed self, FloatKey a0)
13490 remove_attribute(Typed self, IntKey a0)
13491 remove_attribute(Typed self, FloatsKey a0)
13492 remove_attribute(Typed self, IntsKey a0)
13493 remove_attribute(Typed self, StringKey a0)
13494 remove_attribute(Typed self, ParticleIndexKey a0)
13495 remove_attribute(Typed self, ObjectKey a0)
13496 remove_attribute(Typed self, SparseFloatKey a0)
13497 remove_attribute(Typed self, SparseIntKey a0)
13498 remove_attribute(Typed self, SparseStringKey a0)
13499 remove_attribute(Typed self, SparseParticleIndexKey a0)
13501 return _IMP_core.Typed_remove_attribute(self, *args)
13503 def has_attribute(self, *args):
13505 has_attribute(Typed self, FloatKey a0) -> bool
13506 has_attribute(Typed self, IntKey a0) -> bool
13507 has_attribute(Typed self, FloatsKey a0) -> bool
13508 has_attribute(Typed self, IntsKey a0) -> bool
13509 has_attribute(Typed self, StringKey a0) -> bool
13510 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13511 has_attribute(Typed self, ObjectKey a0) -> bool
13512 has_attribute(Typed self, SparseFloatKey a0) -> bool
13513 has_attribute(Typed self, SparseIntKey a0) -> bool
13514 has_attribute(Typed self, SparseStringKey a0) -> bool
13515 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13517 return _IMP_core.Typed_has_attribute(self, *args)
13519 def get_derivative(self, a0):
13520 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13521 return _IMP_core.Typed_get_derivative(self, a0)
13523 def get_name(self):
13524 r"""get_name(Typed self) -> std::string"""
13525 return _IMP_core.Typed_get_name(self)
13527 def clear_caches(self):
13528 r"""clear_caches(Typed self)"""
13529 return _IMP_core.Typed_clear_caches(self)
13531 def set_name(self, a0):
13532 r"""set_name(Typed self, std::string a0)"""
13533 return _IMP_core.Typed_set_name(self, a0)
13536 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13537 return _IMP_core.Typed_set_check_level(self, a0)
13539 def add_to_derivative(self, a0, a1, a2):
13540 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13541 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13543 def set_is_optimized(self, a0, a1):
13544 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13545 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13547 def get_is_optimized(self, a0):
13548 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13549 return _IMP_core.Typed_get_is_optimized(self, a0)
13552 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13553 return _IMP_core.Typed_get_check_level(self)
13555 def __eq__(self, *args):
13557 __eq__(Typed self, Typed o) -> bool
13558 __eq__(Typed self, Particle d) -> bool
13560 return _IMP_core.Typed___eq__(self, *args)
13562 def __ne__(self, *args):
13564 __ne__(Typed self, Typed o) -> bool
13565 __ne__(Typed self, Particle d) -> bool
13567 return _IMP_core.Typed___ne__(self, *args)
13569 def __le__(self, *args):
13571 __le__(Typed self, Typed o) -> bool
13572 __le__(Typed self, Particle d) -> bool
13574 return _IMP_core.Typed___le__(self, *args)
13576 def __lt__(self, *args):
13578 __lt__(Typed self, Typed o) -> bool
13579 __lt__(Typed self, Particle d) -> bool
13581 return _IMP_core.Typed___lt__(self, *args)
13583 def __ge__(self, *args):
13585 __ge__(Typed self, Typed o) -> bool
13586 __ge__(Typed self, Particle d) -> bool
13588 return _IMP_core.Typed___ge__(self, *args)
13590 def __gt__(self, *args):
13592 __gt__(Typed self, Typed o) -> bool
13593 __gt__(Typed self, Particle d) -> bool
13595 return _IMP_core.Typed___gt__(self, *args)
13597 def __hash__(self):
13598 r"""__hash__(Typed self) -> std::size_t"""
13599 return _IMP_core.Typed___hash__(self)
13602 r"""__str__(Typed self) -> std::string"""
13603 return _IMP_core.Typed___str__(self)
13605 def __repr__(self):
13606 r"""__repr__(Typed self) -> std::string"""
13607 return _IMP_core.Typed___repr__(self)
13609 def _get_as_binary(self):
13610 r"""_get_as_binary(Typed self) -> PyObject *"""
13611 return _IMP_core.Typed__get_as_binary(self)
13613 def _set_from_binary(self, p):
13614 r"""_set_from_binary(Typed self, PyObject * p)"""
13615 return _IMP_core.Typed__set_from_binary(self, p)
13617 def __getstate__(self):
13618 p = self._get_as_binary()
13619 if len(self.__dict__) > 1:
13620 d = self.__dict__.copy()
13625 def __setstate__(self, p):
13626 if not hasattr(self,
'this'):
13628 if isinstance(p, tuple):
13630 self.__dict__.update(d)
13631 return self._set_from_binary(p)
13633 __swig_destroy__ = _IMP_core.delete_Typed
13636 _IMP_core.Typed_swigregister(Typed)
13638 def __lshift__(*args):
13640 __lshift__(_ostream out, XYZ n) -> _ostream
13641 __lshift__(_ostream out, XYZR n) -> _ostream
13642 __lshift__(_ostream out, Direction n) -> _ostream
13643 __lshift__(_ostream out, DirectionAngle n) -> _ostream
13644 __lshift__(_ostream out, Surface n) -> _ostream
13645 __lshift__(_ostream out, Centroid n) -> _ostream
13646 __lshift__(_ostream out, Cover n) -> _ostream
13647 __lshift__(_ostream out, Reference n) -> _ostream
13648 __lshift__(_ostream out, RigidMember n) -> _ostream
13649 __lshift__(_ostream out, RigidBody n) -> _ostream
13650 __lshift__(_ostream out, Gaussian n) -> _ostream
13651 __lshift__(_ostream out, Typed n) -> _ostream
13653 return _IMP_core.__lshift__(*args)
13655 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
13657 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13659 def __init__(self, rs, out):
13660 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
13661 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
13663 def get_version_info(self):
13664 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
13665 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
13666 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
13669 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
13670 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
13672 def __repr__(self):
13673 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
13674 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
13678 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
13682 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
13685 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
13686 return _IMP_core.assign_blame(rs, ps, attribute)
13689 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
13690 return _IMP_core.create_blame_geometries(*args)
13692 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
13694 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13696 def __init__(self, m, q1, q2):
13697 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
13698 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
13700 def add_term(self, term):
13701 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
13702 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
13704 def do_get_inputs(self):
13705 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
13706 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
13708 def get_version_info(self):
13709 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
13710 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
13711 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
13714 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
13715 return _IMP_core.MultipleBinormalRestraint___str__(self)
13717 def __repr__(self):
13718 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
13719 return _IMP_core.MultipleBinormalRestraint___repr__(self)
13723 return _object_cast_to_MultipleBinormalRestraint(o)
13727 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
13728 class BinormalTerm(object):
13729 r"""Proxy of C++ IMP::core::BinormalTerm class."""
13731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13733 def __init__(self):
13734 r"""__init__(BinormalTerm self) -> BinormalTerm"""
13735 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
13737 def set_correlation(self, correlation):
13738 r"""set_correlation(BinormalTerm self, double correlation)"""
13739 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
13741 def set_weight(self, weight):
13742 r"""set_weight(BinormalTerm self, double weight)"""
13743 return _IMP_core.BinormalTerm_set_weight(self, weight)
13745 def set_means(self, means):
13746 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
13747 return _IMP_core.BinormalTerm_set_means(self, means)
13749 def set_standard_deviations(self, stdevs):
13750 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
13751 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
13753 def show(self, *args):
13754 r"""show(BinormalTerm self, _ostream out=std::cout)"""
13755 return _IMP_core.BinormalTerm_show(self, *args)
13758 r"""__str__(BinormalTerm self) -> std::string"""
13759 return _IMP_core.BinormalTerm___str__(self)
13761 def __repr__(self):
13762 r"""__repr__(BinormalTerm self) -> std::string"""
13763 return _IMP_core.BinormalTerm___repr__(self)
13765 def _get_as_binary(self):
13766 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
13767 return _IMP_core.BinormalTerm__get_as_binary(self)
13769 def _set_from_binary(self, p):
13770 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
13771 return _IMP_core.BinormalTerm__set_from_binary(self, p)
13773 def __getstate__(self):
13774 p = self._get_as_binary()
13775 if len(self.__dict__) > 1:
13776 d = self.__dict__.copy()
13781 def __setstate__(self, p):
13782 if not hasattr(self,
'this'):
13784 if isinstance(p, tuple):
13786 self.__dict__.update(d)
13787 return self._set_from_binary(p)
13789 __swig_destroy__ = _IMP_core.delete_BinormalTerm
13792 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
13794 r"""Proxy of C++ IMP::core::Provenance class."""
13796 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13798 def get_previous(self):
13799 r"""get_previous(Provenance self) -> Provenance"""
13800 return _IMP_core.Provenance_get_previous(self)
13802 def set_previous(self, p):
13803 r"""set_previous(Provenance self, Provenance p)"""
13804 return _IMP_core.Provenance_set_previous(self, p)
13806 def __init__(self, *args):
13808 __init__(Provenance self) -> Provenance
13809 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
13810 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
13812 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
13815 def get_is_setup(*args):
13817 get_is_setup(Model m, ParticleIndex pi) -> bool
13818 get_is_setup(_ParticleAdaptor p) -> bool
13820 return _IMP_core.Provenance_get_is_setup(*args)
13822 def show(self, *args):
13823 r"""show(Provenance self, _ostream out=std::cout)"""
13824 return _IMP_core.Provenance_show(self, *args)
13827 def setup_particle(*args):
13829 setup_particle(Model m, ParticleIndex pi) -> Provenance
13830 setup_particle(_ParticleAdaptor pa) -> Provenance
13832 return _IMP_core.Provenance_setup_particle(*args)
13834 def add_attribute(self, *args):
13836 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
13837 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
13838 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
13839 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
13840 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
13841 add_attribute(Provenance self, StringKey a0, IMP::String a1)
13842 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
13843 add_attribute(Provenance self, ObjectKey a0, Object a1)
13844 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
13845 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
13846 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
13847 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
13849 return _IMP_core.Provenance_add_attribute(self, *args)
13851 def get_value(self, *args):
13853 get_value(Provenance self, FloatKey a0) -> IMP::Float
13854 get_value(Provenance self, IntKey a0) -> IMP::Int
13855 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
13856 get_value(Provenance self, IntsKey a0) -> IMP::Ints
13857 get_value(Provenance self, StringKey a0) -> IMP::String
13858 get_value(Provenance self, ParticleIndexKey a0) -> Particle
13859 get_value(Provenance self, ObjectKey a0) -> Object
13860 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
13861 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
13862 get_value(Provenance self, SparseStringKey a0) -> IMP::String
13863 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
13865 return _IMP_core.Provenance_get_value(self, *args)
13867 def set_value(self, *args):
13869 set_value(Provenance self, FloatKey a0, IMP::Float a1)
13870 set_value(Provenance self, IntKey a0, IMP::Int a1)
13871 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
13872 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
13873 set_value(Provenance self, StringKey a0, IMP::String a1)
13874 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
13875 set_value(Provenance self, ObjectKey a0, Object a1)
13876 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
13877 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
13878 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
13879 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
13881 return _IMP_core.Provenance_set_value(self, *args)
13883 def remove_attribute(self, *args):
13885 remove_attribute(Provenance self, FloatKey a0)
13886 remove_attribute(Provenance self, IntKey a0)
13887 remove_attribute(Provenance self, FloatsKey a0)
13888 remove_attribute(Provenance self, IntsKey a0)
13889 remove_attribute(Provenance self, StringKey a0)
13890 remove_attribute(Provenance self, ParticleIndexKey a0)
13891 remove_attribute(Provenance self, ObjectKey a0)
13892 remove_attribute(Provenance self, SparseFloatKey a0)
13893 remove_attribute(Provenance self, SparseIntKey a0)
13894 remove_attribute(Provenance self, SparseStringKey a0)
13895 remove_attribute(Provenance self, SparseParticleIndexKey a0)
13897 return _IMP_core.Provenance_remove_attribute(self, *args)
13899 def has_attribute(self, *args):
13901 has_attribute(Provenance self, FloatKey a0) -> bool
13902 has_attribute(Provenance self, IntKey a0) -> bool
13903 has_attribute(Provenance self, FloatsKey a0) -> bool
13904 has_attribute(Provenance self, IntsKey a0) -> bool
13905 has_attribute(Provenance self, StringKey a0) -> bool
13906 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
13907 has_attribute(Provenance self, ObjectKey a0) -> bool
13908 has_attribute(Provenance self, SparseFloatKey a0) -> bool
13909 has_attribute(Provenance self, SparseIntKey a0) -> bool
13910 has_attribute(Provenance self, SparseStringKey a0) -> bool
13911 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
13913 return _IMP_core.Provenance_has_attribute(self, *args)
13915 def get_derivative(self, a0):
13916 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
13917 return _IMP_core.Provenance_get_derivative(self, a0)
13919 def get_name(self):
13920 r"""get_name(Provenance self) -> std::string"""
13921 return _IMP_core.Provenance_get_name(self)
13923 def clear_caches(self):
13924 r"""clear_caches(Provenance self)"""
13925 return _IMP_core.Provenance_clear_caches(self)
13927 def set_name(self, a0):
13928 r"""set_name(Provenance self, std::string a0)"""
13929 return _IMP_core.Provenance_set_name(self, a0)
13932 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
13933 return _IMP_core.Provenance_set_check_level(self, a0)
13935 def add_to_derivative(self, a0, a1, a2):
13936 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13937 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
13939 def set_is_optimized(self, a0, a1):
13940 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
13941 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
13943 def get_is_optimized(self, a0):
13944 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
13945 return _IMP_core.Provenance_get_is_optimized(self, a0)
13948 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
13949 return _IMP_core.Provenance_get_check_level(self)
13951 def __eq__(self, *args):
13953 __eq__(Provenance self, Provenance o) -> bool
13954 __eq__(Provenance self, Particle d) -> bool
13956 return _IMP_core.Provenance___eq__(self, *args)
13958 def __ne__(self, *args):
13960 __ne__(Provenance self, Provenance o) -> bool
13961 __ne__(Provenance self, Particle d) -> bool
13963 return _IMP_core.Provenance___ne__(self, *args)
13965 def __le__(self, *args):
13967 __le__(Provenance self, Provenance o) -> bool
13968 __le__(Provenance self, Particle d) -> bool
13970 return _IMP_core.Provenance___le__(self, *args)
13972 def __lt__(self, *args):
13974 __lt__(Provenance self, Provenance o) -> bool
13975 __lt__(Provenance self, Particle d) -> bool
13977 return _IMP_core.Provenance___lt__(self, *args)
13979 def __ge__(self, *args):
13981 __ge__(Provenance self, Provenance o) -> bool
13982 __ge__(Provenance self, Particle d) -> bool
13984 return _IMP_core.Provenance___ge__(self, *args)
13986 def __gt__(self, *args):
13988 __gt__(Provenance self, Provenance o) -> bool
13989 __gt__(Provenance self, Particle d) -> bool
13991 return _IMP_core.Provenance___gt__(self, *args)
13993 def __hash__(self):
13994 r"""__hash__(Provenance self) -> std::size_t"""
13995 return _IMP_core.Provenance___hash__(self)
13998 r"""__str__(Provenance self) -> std::string"""
13999 return _IMP_core.Provenance___str__(self)
14001 def __repr__(self):
14002 r"""__repr__(Provenance self) -> std::string"""
14003 return _IMP_core.Provenance___repr__(self)
14005 def _get_as_binary(self):
14006 r"""_get_as_binary(Provenance self) -> PyObject *"""
14007 return _IMP_core.Provenance__get_as_binary(self)
14009 def _set_from_binary(self, p):
14010 r"""_set_from_binary(Provenance self, PyObject * p)"""
14011 return _IMP_core.Provenance__set_from_binary(self, p)
14013 def __getstate__(self):
14014 p = self._get_as_binary()
14015 if len(self.__dict__) > 1:
14016 d = self.__dict__.copy()
14021 def __setstate__(self, p):
14022 if not hasattr(self,
'this'):
14024 if isinstance(p, tuple):
14026 self.__dict__.update(d)
14027 return self._set_from_binary(p)
14029 __swig_destroy__ = _IMP_core.delete_Provenance
14032 _IMP_core.Provenance_swigregister(Provenance)
14033 class StructureProvenance(Provenance):
14034 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14036 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14038 def set_filename(self, filename):
14039 r"""set_filename(StructureProvenance self, std::string filename)"""
14040 return _IMP_core.StructureProvenance_set_filename(self, filename)
14042 def get_filename(self):
14043 r"""get_filename(StructureProvenance self) -> std::string"""
14044 return _IMP_core.StructureProvenance_get_filename(self)
14046 def set_chain_id(self, chain_id):
14047 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14048 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14051 r"""get_chain_id(StructureProvenance self) -> std::string"""
14052 return _IMP_core.StructureProvenance_get_chain_id(self)
14054 def set_residue_offset(self, residue_offset):
14055 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14056 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14058 def get_residue_offset(self):
14059 r"""get_residue_offset(StructureProvenance self) -> int"""
14060 return _IMP_core.StructureProvenance_get_residue_offset(self)
14062 def __init__(self, *args):
14064 __init__(StructureProvenance self) -> StructureProvenance
14065 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14066 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14068 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14071 def get_is_setup(*args):
14073 get_is_setup(Model m, ParticleIndex pi) -> bool
14074 get_is_setup(_ParticleAdaptor p) -> bool
14076 return _IMP_core.StructureProvenance_get_is_setup(*args)
14078 def show(self, *args):
14079 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14080 return _IMP_core.StructureProvenance_show(self, *args)
14083 def setup_particle(*args):
14085 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14086 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14087 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14088 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14089 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14090 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14092 return _IMP_core.StructureProvenance_setup_particle(*args)
14094 def add_attribute(self, *args):
14096 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14097 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14098 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14099 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14100 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14101 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14102 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14103 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14104 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14105 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14106 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14107 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14109 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14111 def get_value(self, *args):
14113 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14114 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14115 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14116 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14117 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14118 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14119 get_value(StructureProvenance self, ObjectKey a0) -> Object
14120 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14121 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14122 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14123 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14125 return _IMP_core.StructureProvenance_get_value(self, *args)
14127 def set_value(self, *args):
14129 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14130 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14131 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14132 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14133 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14134 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14135 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14136 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14137 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14138 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14139 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14141 return _IMP_core.StructureProvenance_set_value(self, *args)
14143 def remove_attribute(self, *args):
14145 remove_attribute(StructureProvenance self, FloatKey a0)
14146 remove_attribute(StructureProvenance self, IntKey a0)
14147 remove_attribute(StructureProvenance self, FloatsKey a0)
14148 remove_attribute(StructureProvenance self, IntsKey a0)
14149 remove_attribute(StructureProvenance self, StringKey a0)
14150 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14151 remove_attribute(StructureProvenance self, ObjectKey a0)
14152 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14153 remove_attribute(StructureProvenance self, SparseIntKey a0)
14154 remove_attribute(StructureProvenance self, SparseStringKey a0)
14155 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14157 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14159 def has_attribute(self, *args):
14161 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14162 has_attribute(StructureProvenance self, IntKey a0) -> bool
14163 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14164 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14165 has_attribute(StructureProvenance self, StringKey a0) -> bool
14166 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14167 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14168 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14169 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14170 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14171 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14173 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14175 def get_derivative(self, a0):
14176 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14177 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14179 def get_name(self):
14180 r"""get_name(StructureProvenance self) -> std::string"""
14181 return _IMP_core.StructureProvenance_get_name(self)
14183 def clear_caches(self):
14184 r"""clear_caches(StructureProvenance self)"""
14185 return _IMP_core.StructureProvenance_clear_caches(self)
14187 def set_name(self, a0):
14188 r"""set_name(StructureProvenance self, std::string a0)"""
14189 return _IMP_core.StructureProvenance_set_name(self, a0)
14192 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14193 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14195 def add_to_derivative(self, a0, a1, a2):
14196 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14197 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14199 def set_is_optimized(self, a0, a1):
14200 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14201 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14203 def get_is_optimized(self, a0):
14204 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14205 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14208 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14209 return _IMP_core.StructureProvenance_get_check_level(self)
14211 def __eq__(self, *args):
14213 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14214 __eq__(StructureProvenance self, Particle d) -> bool
14216 return _IMP_core.StructureProvenance___eq__(self, *args)
14218 def __ne__(self, *args):
14220 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14221 __ne__(StructureProvenance self, Particle d) -> bool
14223 return _IMP_core.StructureProvenance___ne__(self, *args)
14225 def __le__(self, *args):
14227 __le__(StructureProvenance self, StructureProvenance o) -> bool
14228 __le__(StructureProvenance self, Particle d) -> bool
14230 return _IMP_core.StructureProvenance___le__(self, *args)
14232 def __lt__(self, *args):
14234 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14235 __lt__(StructureProvenance self, Particle d) -> bool
14237 return _IMP_core.StructureProvenance___lt__(self, *args)
14239 def __ge__(self, *args):
14241 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14242 __ge__(StructureProvenance self, Particle d) -> bool
14244 return _IMP_core.StructureProvenance___ge__(self, *args)
14246 def __gt__(self, *args):
14248 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14249 __gt__(StructureProvenance self, Particle d) -> bool
14251 return _IMP_core.StructureProvenance___gt__(self, *args)
14253 def __hash__(self):
14254 r"""__hash__(StructureProvenance self) -> std::size_t"""
14255 return _IMP_core.StructureProvenance___hash__(self)
14258 r"""__str__(StructureProvenance self) -> std::string"""
14259 return _IMP_core.StructureProvenance___str__(self)
14261 def __repr__(self):
14262 r"""__repr__(StructureProvenance self) -> std::string"""
14263 return _IMP_core.StructureProvenance___repr__(self)
14265 def _get_as_binary(self):
14266 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14267 return _IMP_core.StructureProvenance__get_as_binary(self)
14269 def _set_from_binary(self, p):
14270 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14271 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14273 def __getstate__(self):
14274 p = self._get_as_binary()
14275 if len(self.__dict__) > 1:
14276 d = self.__dict__.copy()
14281 def __setstate__(self, p):
14282 if not hasattr(self,
'this'):
14284 if isinstance(p, tuple):
14286 self.__dict__.update(d)
14287 return self._set_from_binary(p)
14289 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14292 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14293 class SampleProvenance(Provenance):
14294 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14296 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14298 def set_method(self, method):
14299 r"""set_method(SampleProvenance self, std::string method)"""
14300 return _IMP_core.SampleProvenance_set_method(self, method)
14302 def get_method(self):
14303 r"""get_method(SampleProvenance self) -> std::string"""
14304 return _IMP_core.SampleProvenance_get_method(self)
14306 def set_number_of_frames(self, frames):
14307 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14308 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14311 r"""get_number_of_frames(SampleProvenance self) -> int"""
14312 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14314 def set_number_of_iterations(self, iterations):
14315 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14316 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14318 def get_number_of_iterations(self):
14319 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14320 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14322 def set_number_of_replicas(self, replicas):
14323 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14324 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14326 def get_number_of_replicas(self):
14327 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14328 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14330 def __init__(self, *args):
14332 __init__(SampleProvenance self) -> SampleProvenance
14333 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14334 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14336 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14339 def get_is_setup(*args):
14341 get_is_setup(Model m, ParticleIndex pi) -> bool
14342 get_is_setup(_ParticleAdaptor p) -> bool
14344 return _IMP_core.SampleProvenance_get_is_setup(*args)
14346 def show(self, *args):
14347 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14348 return _IMP_core.SampleProvenance_show(self, *args)
14351 def setup_particle(*args):
14353 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14354 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14355 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14356 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14357 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14358 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14360 return _IMP_core.SampleProvenance_setup_particle(*args)
14362 def add_attribute(self, *args):
14364 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14365 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14366 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14367 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14368 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14369 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14370 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14371 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14372 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14373 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14374 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14375 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14377 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14379 def get_value(self, *args):
14381 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14382 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14383 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14384 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14385 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14386 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14387 get_value(SampleProvenance self, ObjectKey a0) -> Object
14388 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14389 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14390 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14391 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14393 return _IMP_core.SampleProvenance_get_value(self, *args)
14395 def set_value(self, *args):
14397 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14398 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14399 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14400 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14401 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14402 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14403 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14404 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14405 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14406 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14407 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14409 return _IMP_core.SampleProvenance_set_value(self, *args)
14411 def remove_attribute(self, *args):
14413 remove_attribute(SampleProvenance self, FloatKey a0)
14414 remove_attribute(SampleProvenance self, IntKey a0)
14415 remove_attribute(SampleProvenance self, FloatsKey a0)
14416 remove_attribute(SampleProvenance self, IntsKey a0)
14417 remove_attribute(SampleProvenance self, StringKey a0)
14418 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14419 remove_attribute(SampleProvenance self, ObjectKey a0)
14420 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14421 remove_attribute(SampleProvenance self, SparseIntKey a0)
14422 remove_attribute(SampleProvenance self, SparseStringKey a0)
14423 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14425 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14427 def has_attribute(self, *args):
14429 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14430 has_attribute(SampleProvenance self, IntKey a0) -> bool
14431 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14432 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14433 has_attribute(SampleProvenance self, StringKey a0) -> bool
14434 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14435 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14436 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14437 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14438 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14439 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14441 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14443 def get_derivative(self, a0):
14444 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14445 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14447 def get_name(self):
14448 r"""get_name(SampleProvenance self) -> std::string"""
14449 return _IMP_core.SampleProvenance_get_name(self)
14451 def clear_caches(self):
14452 r"""clear_caches(SampleProvenance self)"""
14453 return _IMP_core.SampleProvenance_clear_caches(self)
14455 def set_name(self, a0):
14456 r"""set_name(SampleProvenance self, std::string a0)"""
14457 return _IMP_core.SampleProvenance_set_name(self, a0)
14460 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14461 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14463 def add_to_derivative(self, a0, a1, a2):
14464 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14465 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14467 def set_is_optimized(self, a0, a1):
14468 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14469 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14471 def get_is_optimized(self, a0):
14472 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14473 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14476 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14477 return _IMP_core.SampleProvenance_get_check_level(self)
14479 def __eq__(self, *args):
14481 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14482 __eq__(SampleProvenance self, Particle d) -> bool
14484 return _IMP_core.SampleProvenance___eq__(self, *args)
14486 def __ne__(self, *args):
14488 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14489 __ne__(SampleProvenance self, Particle d) -> bool
14491 return _IMP_core.SampleProvenance___ne__(self, *args)
14493 def __le__(self, *args):
14495 __le__(SampleProvenance self, SampleProvenance o) -> bool
14496 __le__(SampleProvenance self, Particle d) -> bool
14498 return _IMP_core.SampleProvenance___le__(self, *args)
14500 def __lt__(self, *args):
14502 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14503 __lt__(SampleProvenance self, Particle d) -> bool
14505 return _IMP_core.SampleProvenance___lt__(self, *args)
14507 def __ge__(self, *args):
14509 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14510 __ge__(SampleProvenance self, Particle d) -> bool
14512 return _IMP_core.SampleProvenance___ge__(self, *args)
14514 def __gt__(self, *args):
14516 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14517 __gt__(SampleProvenance self, Particle d) -> bool
14519 return _IMP_core.SampleProvenance___gt__(self, *args)
14521 def __hash__(self):
14522 r"""__hash__(SampleProvenance self) -> std::size_t"""
14523 return _IMP_core.SampleProvenance___hash__(self)
14526 r"""__str__(SampleProvenance self) -> std::string"""
14527 return _IMP_core.SampleProvenance___str__(self)
14529 def __repr__(self):
14530 r"""__repr__(SampleProvenance self) -> std::string"""
14531 return _IMP_core.SampleProvenance___repr__(self)
14533 def _get_as_binary(self):
14534 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14535 return _IMP_core.SampleProvenance__get_as_binary(self)
14537 def _set_from_binary(self, p):
14538 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14539 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14541 def __getstate__(self):
14542 p = self._get_as_binary()
14543 if len(self.__dict__) > 1:
14544 d = self.__dict__.copy()
14549 def __setstate__(self, p):
14550 if not hasattr(self,
'this'):
14552 if isinstance(p, tuple):
14554 self.__dict__.update(d)
14555 return self._set_from_binary(p)
14557 __swig_destroy__ = _IMP_core.delete_SampleProvenance
14560 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
14561 class CombineProvenance(Provenance):
14562 r"""Proxy of C++ IMP::core::CombineProvenance class."""
14564 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14566 def set_number_of_frames(self, frames):
14567 r"""set_number_of_frames(CombineProvenance self, int frames)"""
14568 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
14571 r"""get_number_of_frames(CombineProvenance self) -> int"""
14572 return _IMP_core.CombineProvenance_get_number_of_frames(self)
14574 def set_number_of_runs(self, runs):
14575 r"""set_number_of_runs(CombineProvenance self, int runs)"""
14576 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
14578 def get_number_of_runs(self):
14579 r"""get_number_of_runs(CombineProvenance self) -> int"""
14580 return _IMP_core.CombineProvenance_get_number_of_runs(self)
14582 def __init__(self, *args):
14584 __init__(CombineProvenance self) -> CombineProvenance
14585 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
14586 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
14588 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
14591 def get_is_setup(*args):
14593 get_is_setup(Model m, ParticleIndex pi) -> bool
14594 get_is_setup(_ParticleAdaptor p) -> bool
14596 return _IMP_core.CombineProvenance_get_is_setup(*args)
14598 def show(self, *args):
14599 r"""show(CombineProvenance self, _ostream out=std::cout)"""
14600 return _IMP_core.CombineProvenance_show(self, *args)
14603 def setup_particle(*args):
14605 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
14606 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
14607 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
14608 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
14610 return _IMP_core.CombineProvenance_setup_particle(*args)
14612 def add_attribute(self, *args):
14614 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
14615 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
14616 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
14617 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14618 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14619 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
14620 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14621 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
14622 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14623 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14624 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14625 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14627 return _IMP_core.CombineProvenance_add_attribute(self, *args)
14629 def get_value(self, *args):
14631 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
14632 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
14633 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
14634 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
14635 get_value(CombineProvenance self, StringKey a0) -> IMP::String
14636 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
14637 get_value(CombineProvenance self, ObjectKey a0) -> Object
14638 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
14639 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
14640 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
14641 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14643 return _IMP_core.CombineProvenance_get_value(self, *args)
14645 def set_value(self, *args):
14647 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
14648 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
14649 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14650 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14651 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
14652 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14653 set_value(CombineProvenance self, ObjectKey a0, Object a1)
14654 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14655 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14656 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14657 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14659 return _IMP_core.CombineProvenance_set_value(self, *args)
14661 def remove_attribute(self, *args):
14663 remove_attribute(CombineProvenance self, FloatKey a0)
14664 remove_attribute(CombineProvenance self, IntKey a0)
14665 remove_attribute(CombineProvenance self, FloatsKey a0)
14666 remove_attribute(CombineProvenance self, IntsKey a0)
14667 remove_attribute(CombineProvenance self, StringKey a0)
14668 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
14669 remove_attribute(CombineProvenance self, ObjectKey a0)
14670 remove_attribute(CombineProvenance self, SparseFloatKey a0)
14671 remove_attribute(CombineProvenance self, SparseIntKey a0)
14672 remove_attribute(CombineProvenance self, SparseStringKey a0)
14673 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
14675 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
14677 def has_attribute(self, *args):
14679 has_attribute(CombineProvenance self, FloatKey a0) -> bool
14680 has_attribute(CombineProvenance self, IntKey a0) -> bool
14681 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
14682 has_attribute(CombineProvenance self, IntsKey a0) -> bool
14683 has_attribute(CombineProvenance self, StringKey a0) -> bool
14684 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
14685 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
14686 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
14687 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
14688 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
14689 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
14691 return _IMP_core.CombineProvenance_has_attribute(self, *args)
14693 def get_derivative(self, a0):
14694 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
14695 return _IMP_core.CombineProvenance_get_derivative(self, a0)
14697 def get_name(self):
14698 r"""get_name(CombineProvenance self) -> std::string"""
14699 return _IMP_core.CombineProvenance_get_name(self)
14701 def clear_caches(self):
14702 r"""clear_caches(CombineProvenance self)"""
14703 return _IMP_core.CombineProvenance_clear_caches(self)
14705 def set_name(self, a0):
14706 r"""set_name(CombineProvenance self, std::string a0)"""
14707 return _IMP_core.CombineProvenance_set_name(self, a0)
14710 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
14711 return _IMP_core.CombineProvenance_set_check_level(self, a0)
14713 def add_to_derivative(self, a0, a1, a2):
14714 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14715 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
14717 def set_is_optimized(self, a0, a1):
14718 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
14719 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
14721 def get_is_optimized(self, a0):
14722 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
14723 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
14726 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
14727 return _IMP_core.CombineProvenance_get_check_level(self)
14729 def __eq__(self, *args):
14731 __eq__(CombineProvenance self, CombineProvenance o) -> bool
14732 __eq__(CombineProvenance self, Particle d) -> bool
14734 return _IMP_core.CombineProvenance___eq__(self, *args)
14736 def __ne__(self, *args):
14738 __ne__(CombineProvenance self, CombineProvenance o) -> bool
14739 __ne__(CombineProvenance self, Particle d) -> bool
14741 return _IMP_core.CombineProvenance___ne__(self, *args)
14743 def __le__(self, *args):
14745 __le__(CombineProvenance self, CombineProvenance o) -> bool
14746 __le__(CombineProvenance self, Particle d) -> bool
14748 return _IMP_core.CombineProvenance___le__(self, *args)
14750 def __lt__(self, *args):
14752 __lt__(CombineProvenance self, CombineProvenance o) -> bool
14753 __lt__(CombineProvenance self, Particle d) -> bool
14755 return _IMP_core.CombineProvenance___lt__(self, *args)
14757 def __ge__(self, *args):
14759 __ge__(CombineProvenance self, CombineProvenance o) -> bool
14760 __ge__(CombineProvenance self, Particle d) -> bool
14762 return _IMP_core.CombineProvenance___ge__(self, *args)
14764 def __gt__(self, *args):
14766 __gt__(CombineProvenance self, CombineProvenance o) -> bool
14767 __gt__(CombineProvenance self, Particle d) -> bool
14769 return _IMP_core.CombineProvenance___gt__(self, *args)
14771 def __hash__(self):
14772 r"""__hash__(CombineProvenance self) -> std::size_t"""
14773 return _IMP_core.CombineProvenance___hash__(self)
14776 r"""__str__(CombineProvenance self) -> std::string"""
14777 return _IMP_core.CombineProvenance___str__(self)
14779 def __repr__(self):
14780 r"""__repr__(CombineProvenance self) -> std::string"""
14781 return _IMP_core.CombineProvenance___repr__(self)
14783 def _get_as_binary(self):
14784 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
14785 return _IMP_core.CombineProvenance__get_as_binary(self)
14787 def _set_from_binary(self, p):
14788 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
14789 return _IMP_core.CombineProvenance__set_from_binary(self, p)
14791 def __getstate__(self):
14792 p = self._get_as_binary()
14793 if len(self.__dict__) > 1:
14794 d = self.__dict__.copy()
14799 def __setstate__(self, p):
14800 if not hasattr(self,
'this'):
14802 if isinstance(p, tuple):
14804 self.__dict__.update(d)
14805 return self._set_from_binary(p)
14807 __swig_destroy__ = _IMP_core.delete_CombineProvenance
14810 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
14811 class FilterProvenance(Provenance):
14812 r"""Proxy of C++ IMP::core::FilterProvenance class."""
14814 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14816 def set_method(self, method):
14817 r"""set_method(FilterProvenance self, std::string method)"""
14818 return _IMP_core.FilterProvenance_set_method(self, method)
14820 def get_method(self):
14821 r"""get_method(FilterProvenance self) -> std::string"""
14822 return _IMP_core.FilterProvenance_get_method(self)
14824 def set_number_of_frames(self, frames):
14825 r"""set_number_of_frames(FilterProvenance self, int frames)"""
14826 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
14829 r"""get_number_of_frames(FilterProvenance self) -> int"""
14830 return _IMP_core.FilterProvenance_get_number_of_frames(self)
14832 def set_threshold(self, threshold):
14833 r"""set_threshold(FilterProvenance self, double threshold)"""
14834 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
14836 def get_threshold(self):
14837 r"""get_threshold(FilterProvenance self) -> double"""
14838 return _IMP_core.FilterProvenance_get_threshold(self)
14840 def __init__(self, *args):
14842 __init__(FilterProvenance self) -> FilterProvenance
14843 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
14844 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
14846 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
14849 def get_is_setup(*args):
14851 get_is_setup(Model m, ParticleIndex pi) -> bool
14852 get_is_setup(_ParticleAdaptor p) -> bool
14854 return _IMP_core.FilterProvenance_get_is_setup(*args)
14856 def show(self, *args):
14857 r"""show(FilterProvenance self, _ostream out=std::cout)"""
14858 return _IMP_core.FilterProvenance_show(self, *args)
14861 def setup_particle(*args):
14863 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
14864 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
14865 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
14866 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
14868 return _IMP_core.FilterProvenance_setup_particle(*args)
14870 def add_attribute(self, *args):
14872 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
14873 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
14874 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
14875 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
14876 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
14877 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
14878 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
14879 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
14880 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
14881 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
14882 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
14883 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14885 return _IMP_core.FilterProvenance_add_attribute(self, *args)
14887 def get_value(self, *args):
14889 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
14890 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
14891 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
14892 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
14893 get_value(FilterProvenance self, StringKey a0) -> IMP::String
14894 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
14895 get_value(FilterProvenance self, ObjectKey a0) -> Object
14896 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
14897 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
14898 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
14899 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14901 return _IMP_core.FilterProvenance_get_value(self, *args)
14903 def set_value(self, *args):
14905 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
14906 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
14907 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
14908 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
14909 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
14910 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
14911 set_value(FilterProvenance self, ObjectKey a0, Object a1)
14912 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
14913 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
14914 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
14915 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14917 return _IMP_core.FilterProvenance_set_value(self, *args)
14919 def remove_attribute(self, *args):
14921 remove_attribute(FilterProvenance self, FloatKey a0)
14922 remove_attribute(FilterProvenance self, IntKey a0)
14923 remove_attribute(FilterProvenance self, FloatsKey a0)
14924 remove_attribute(FilterProvenance self, IntsKey a0)
14925 remove_attribute(FilterProvenance self, StringKey a0)
14926 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
14927 remove_attribute(FilterProvenance self, ObjectKey a0)
14928 remove_attribute(FilterProvenance self, SparseFloatKey a0)
14929 remove_attribute(FilterProvenance self, SparseIntKey a0)
14930 remove_attribute(FilterProvenance self, SparseStringKey a0)
14931 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
14933 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
14935 def has_attribute(self, *args):
14937 has_attribute(FilterProvenance self, FloatKey a0) -> bool
14938 has_attribute(FilterProvenance self, IntKey a0) -> bool
14939 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
14940 has_attribute(FilterProvenance self, IntsKey a0) -> bool
14941 has_attribute(FilterProvenance self, StringKey a0) -> bool
14942 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
14943 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
14944 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
14945 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
14946 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
14947 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
14949 return _IMP_core.FilterProvenance_has_attribute(self, *args)
14951 def get_derivative(self, a0):
14952 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
14953 return _IMP_core.FilterProvenance_get_derivative(self, a0)
14955 def get_name(self):
14956 r"""get_name(FilterProvenance self) -> std::string"""
14957 return _IMP_core.FilterProvenance_get_name(self)
14959 def clear_caches(self):
14960 r"""clear_caches(FilterProvenance self)"""
14961 return _IMP_core.FilterProvenance_clear_caches(self)
14963 def set_name(self, a0):
14964 r"""set_name(FilterProvenance self, std::string a0)"""
14965 return _IMP_core.FilterProvenance_set_name(self, a0)
14968 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
14969 return _IMP_core.FilterProvenance_set_check_level(self, a0)
14971 def add_to_derivative(self, a0, a1, a2):
14972 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14973 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
14975 def set_is_optimized(self, a0, a1):
14976 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
14977 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
14979 def get_is_optimized(self, a0):
14980 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
14981 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
14984 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
14985 return _IMP_core.FilterProvenance_get_check_level(self)
14987 def __eq__(self, *args):
14989 __eq__(FilterProvenance self, FilterProvenance o) -> bool
14990 __eq__(FilterProvenance self, Particle d) -> bool
14992 return _IMP_core.FilterProvenance___eq__(self, *args)
14994 def __ne__(self, *args):
14996 __ne__(FilterProvenance self, FilterProvenance o) -> bool
14997 __ne__(FilterProvenance self, Particle d) -> bool
14999 return _IMP_core.FilterProvenance___ne__(self, *args)
15001 def __le__(self, *args):
15003 __le__(FilterProvenance self, FilterProvenance o) -> bool
15004 __le__(FilterProvenance self, Particle d) -> bool
15006 return _IMP_core.FilterProvenance___le__(self, *args)
15008 def __lt__(self, *args):
15010 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15011 __lt__(FilterProvenance self, Particle d) -> bool
15013 return _IMP_core.FilterProvenance___lt__(self, *args)
15015 def __ge__(self, *args):
15017 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15018 __ge__(FilterProvenance self, Particle d) -> bool
15020 return _IMP_core.FilterProvenance___ge__(self, *args)
15022 def __gt__(self, *args):
15024 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15025 __gt__(FilterProvenance self, Particle d) -> bool
15027 return _IMP_core.FilterProvenance___gt__(self, *args)
15029 def __hash__(self):
15030 r"""__hash__(FilterProvenance self) -> std::size_t"""
15031 return _IMP_core.FilterProvenance___hash__(self)
15034 r"""__str__(FilterProvenance self) -> std::string"""
15035 return _IMP_core.FilterProvenance___str__(self)
15037 def __repr__(self):
15038 r"""__repr__(FilterProvenance self) -> std::string"""
15039 return _IMP_core.FilterProvenance___repr__(self)
15041 def _get_as_binary(self):
15042 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15043 return _IMP_core.FilterProvenance__get_as_binary(self)
15045 def _set_from_binary(self, p):
15046 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15047 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15049 def __getstate__(self):
15050 p = self._get_as_binary()
15051 if len(self.__dict__) > 1:
15052 d = self.__dict__.copy()
15057 def __setstate__(self, p):
15058 if not hasattr(self,
'this'):
15060 if isinstance(p, tuple):
15062 self.__dict__.update(d)
15063 return self._set_from_binary(p)
15065 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15068 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15069 class ClusterProvenance(Provenance):
15070 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15074 def set_number_of_members(self, members):
15075 r"""set_number_of_members(ClusterProvenance self, int members)"""
15076 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15078 def get_number_of_members(self):
15079 r"""get_number_of_members(ClusterProvenance self) -> int"""
15080 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15082 def set_precision(self, precision):
15083 r"""set_precision(ClusterProvenance self, double precision)"""
15084 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15086 def get_precision(self):
15087 r"""get_precision(ClusterProvenance self) -> double"""
15088 return _IMP_core.ClusterProvenance_get_precision(self)
15090 def set_density(self, density):
15091 r"""set_density(ClusterProvenance self, std::string density)"""
15092 return _IMP_core.ClusterProvenance_set_density(self, density)
15094 def get_density(self):
15095 r"""get_density(ClusterProvenance self) -> std::string"""
15096 return _IMP_core.ClusterProvenance_get_density(self)
15098 def __init__(self, *args):
15100 __init__(ClusterProvenance self) -> ClusterProvenance
15101 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15102 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15104 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15107 def get_is_setup(*args):
15109 get_is_setup(Model m, ParticleIndex pi) -> bool
15110 get_is_setup(_ParticleAdaptor p) -> bool
15112 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15114 def show(self, *args):
15115 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15116 return _IMP_core.ClusterProvenance_show(self, *args)
15119 def setup_particle(*args):
15121 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15122 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15123 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15124 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15125 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15126 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15127 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15128 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15130 return _IMP_core.ClusterProvenance_setup_particle(*args)
15132 def add_attribute(self, *args):
15134 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15135 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15136 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15137 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15138 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15139 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15140 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15141 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15142 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15143 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15144 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15145 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15147 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15149 def get_value(self, *args):
15151 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15152 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15153 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15154 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15155 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15156 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15157 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15158 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15159 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15160 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15161 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15163 return _IMP_core.ClusterProvenance_get_value(self, *args)
15165 def set_value(self, *args):
15167 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15168 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15169 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15170 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15171 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15172 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15173 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15174 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15175 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15176 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15177 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15179 return _IMP_core.ClusterProvenance_set_value(self, *args)
15181 def remove_attribute(self, *args):
15183 remove_attribute(ClusterProvenance self, FloatKey a0)
15184 remove_attribute(ClusterProvenance self, IntKey a0)
15185 remove_attribute(ClusterProvenance self, FloatsKey a0)
15186 remove_attribute(ClusterProvenance self, IntsKey a0)
15187 remove_attribute(ClusterProvenance self, StringKey a0)
15188 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15189 remove_attribute(ClusterProvenance self, ObjectKey a0)
15190 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15191 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15192 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15193 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15195 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15197 def has_attribute(self, *args):
15199 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15200 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15201 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15202 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15203 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15204 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15205 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15206 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15207 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15208 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15209 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15211 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15213 def get_derivative(self, a0):
15214 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15215 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15217 def get_name(self):
15218 r"""get_name(ClusterProvenance self) -> std::string"""
15219 return _IMP_core.ClusterProvenance_get_name(self)
15221 def clear_caches(self):
15222 r"""clear_caches(ClusterProvenance self)"""
15223 return _IMP_core.ClusterProvenance_clear_caches(self)
15225 def set_name(self, a0):
15226 r"""set_name(ClusterProvenance self, std::string a0)"""
15227 return _IMP_core.ClusterProvenance_set_name(self, a0)
15230 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15231 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15233 def add_to_derivative(self, a0, a1, a2):
15234 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15235 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15237 def set_is_optimized(self, a0, a1):
15238 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15239 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15241 def get_is_optimized(self, a0):
15242 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15243 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15246 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15247 return _IMP_core.ClusterProvenance_get_check_level(self)
15249 def __eq__(self, *args):
15251 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15252 __eq__(ClusterProvenance self, Particle d) -> bool
15254 return _IMP_core.ClusterProvenance___eq__(self, *args)
15256 def __ne__(self, *args):
15258 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15259 __ne__(ClusterProvenance self, Particle d) -> bool
15261 return _IMP_core.ClusterProvenance___ne__(self, *args)
15263 def __le__(self, *args):
15265 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15266 __le__(ClusterProvenance self, Particle d) -> bool
15268 return _IMP_core.ClusterProvenance___le__(self, *args)
15270 def __lt__(self, *args):
15272 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15273 __lt__(ClusterProvenance self, Particle d) -> bool
15275 return _IMP_core.ClusterProvenance___lt__(self, *args)
15277 def __ge__(self, *args):
15279 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15280 __ge__(ClusterProvenance self, Particle d) -> bool
15282 return _IMP_core.ClusterProvenance___ge__(self, *args)
15284 def __gt__(self, *args):
15286 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15287 __gt__(ClusterProvenance self, Particle d) -> bool
15289 return _IMP_core.ClusterProvenance___gt__(self, *args)
15291 def __hash__(self):
15292 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15293 return _IMP_core.ClusterProvenance___hash__(self)
15296 r"""__str__(ClusterProvenance self) -> std::string"""
15297 return _IMP_core.ClusterProvenance___str__(self)
15299 def __repr__(self):
15300 r"""__repr__(ClusterProvenance self) -> std::string"""
15301 return _IMP_core.ClusterProvenance___repr__(self)
15303 def _get_as_binary(self):
15304 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15305 return _IMP_core.ClusterProvenance__get_as_binary(self)
15307 def _set_from_binary(self, p):
15308 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15309 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15311 def __getstate__(self):
15312 p = self._get_as_binary()
15313 if len(self.__dict__) > 1:
15314 d = self.__dict__.copy()
15319 def __setstate__(self, p):
15320 if not hasattr(self,
'this'):
15322 if isinstance(p, tuple):
15324 self.__dict__.update(d)
15325 return self._set_from_binary(p)
15327 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15330 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15331 class ScriptProvenance(Provenance):
15332 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15336 def set_filename(self, filename):
15337 r"""set_filename(ScriptProvenance self, std::string filename)"""
15338 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15340 def get_filename(self):
15341 r"""get_filename(ScriptProvenance self) -> std::string"""
15342 return _IMP_core.ScriptProvenance_get_filename(self)
15344 def __init__(self, *args):
15346 __init__(ScriptProvenance self) -> ScriptProvenance
15347 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15348 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15350 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15353 def get_is_setup(*args):
15355 get_is_setup(Model m, ParticleIndex pi) -> bool
15356 get_is_setup(_ParticleAdaptor p) -> bool
15358 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15360 def show(self, *args):
15361 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15362 return _IMP_core.ScriptProvenance_show(self, *args)
15365 def setup_particle(*args):
15367 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15368 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15369 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15370 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15372 return _IMP_core.ScriptProvenance_setup_particle(*args)
15374 def add_attribute(self, *args):
15376 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15377 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15378 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15379 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15380 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15381 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15382 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15383 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15384 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15385 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15386 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15387 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15389 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15391 def get_value(self, *args):
15393 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15394 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15395 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15396 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15397 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15398 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15399 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15400 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15401 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15402 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15403 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15405 return _IMP_core.ScriptProvenance_get_value(self, *args)
15407 def set_value(self, *args):
15409 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15410 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15411 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15412 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15413 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15414 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15415 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15416 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15417 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15418 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15419 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15421 return _IMP_core.ScriptProvenance_set_value(self, *args)
15423 def remove_attribute(self, *args):
15425 remove_attribute(ScriptProvenance self, FloatKey a0)
15426 remove_attribute(ScriptProvenance self, IntKey a0)
15427 remove_attribute(ScriptProvenance self, FloatsKey a0)
15428 remove_attribute(ScriptProvenance self, IntsKey a0)
15429 remove_attribute(ScriptProvenance self, StringKey a0)
15430 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15431 remove_attribute(ScriptProvenance self, ObjectKey a0)
15432 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15433 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15434 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15435 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15437 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15439 def has_attribute(self, *args):
15441 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15442 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15443 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15444 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15445 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15446 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15447 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15448 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15449 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15450 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15451 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15453 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15455 def get_derivative(self, a0):
15456 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15457 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15459 def get_name(self):
15460 r"""get_name(ScriptProvenance self) -> std::string"""
15461 return _IMP_core.ScriptProvenance_get_name(self)
15463 def clear_caches(self):
15464 r"""clear_caches(ScriptProvenance self)"""
15465 return _IMP_core.ScriptProvenance_clear_caches(self)
15467 def set_name(self, a0):
15468 r"""set_name(ScriptProvenance self, std::string a0)"""
15469 return _IMP_core.ScriptProvenance_set_name(self, a0)
15472 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15473 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15475 def add_to_derivative(self, a0, a1, a2):
15476 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15477 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15479 def set_is_optimized(self, a0, a1):
15480 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15481 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15483 def get_is_optimized(self, a0):
15484 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15485 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15488 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15489 return _IMP_core.ScriptProvenance_get_check_level(self)
15491 def __eq__(self, *args):
15493 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15494 __eq__(ScriptProvenance self, Particle d) -> bool
15496 return _IMP_core.ScriptProvenance___eq__(self, *args)
15498 def __ne__(self, *args):
15500 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15501 __ne__(ScriptProvenance self, Particle d) -> bool
15503 return _IMP_core.ScriptProvenance___ne__(self, *args)
15505 def __le__(self, *args):
15507 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15508 __le__(ScriptProvenance self, Particle d) -> bool
15510 return _IMP_core.ScriptProvenance___le__(self, *args)
15512 def __lt__(self, *args):
15514 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15515 __lt__(ScriptProvenance self, Particle d) -> bool
15517 return _IMP_core.ScriptProvenance___lt__(self, *args)
15519 def __ge__(self, *args):
15521 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15522 __ge__(ScriptProvenance self, Particle d) -> bool
15524 return _IMP_core.ScriptProvenance___ge__(self, *args)
15526 def __gt__(self, *args):
15528 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15529 __gt__(ScriptProvenance self, Particle d) -> bool
15531 return _IMP_core.ScriptProvenance___gt__(self, *args)
15533 def __hash__(self):
15534 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15535 return _IMP_core.ScriptProvenance___hash__(self)
15538 r"""__str__(ScriptProvenance self) -> std::string"""
15539 return _IMP_core.ScriptProvenance___str__(self)
15541 def __repr__(self):
15542 r"""__repr__(ScriptProvenance self) -> std::string"""
15543 return _IMP_core.ScriptProvenance___repr__(self)
15545 def _get_as_binary(self):
15546 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15547 return _IMP_core.ScriptProvenance__get_as_binary(self)
15549 def _set_from_binary(self, p):
15550 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15551 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15553 def __getstate__(self):
15554 p = self._get_as_binary()
15555 if len(self.__dict__) > 1:
15556 d = self.__dict__.copy()
15561 def __setstate__(self, p):
15562 if not hasattr(self,
'this'):
15564 if isinstance(p, tuple):
15566 self.__dict__.update(d)
15567 return self._set_from_binary(p)
15569 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
15572 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
15573 class SoftwareProvenance(Provenance):
15574 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
15576 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15578 def set_software_name(self, name):
15579 r"""set_software_name(SoftwareProvenance self, std::string name)"""
15580 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
15582 def get_software_name(self):
15583 r"""get_software_name(SoftwareProvenance self) -> std::string"""
15584 return _IMP_core.SoftwareProvenance_get_software_name(self)
15586 def set_version(self, version):
15587 r"""set_version(SoftwareProvenance self, std::string version)"""
15588 return _IMP_core.SoftwareProvenance_set_version(self, version)
15590 def get_version(self):
15591 r"""get_version(SoftwareProvenance self) -> std::string"""
15592 return _IMP_core.SoftwareProvenance_get_version(self)
15594 def set_location(self, location):
15595 r"""set_location(SoftwareProvenance self, std::string location)"""
15596 return _IMP_core.SoftwareProvenance_set_location(self, location)
15598 def get_location(self):
15599 r"""get_location(SoftwareProvenance self) -> std::string"""
15600 return _IMP_core.SoftwareProvenance_get_location(self)
15602 def __init__(self, *args):
15604 __init__(SoftwareProvenance self) -> SoftwareProvenance
15605 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
15606 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
15608 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
15611 def get_is_setup(*args):
15613 get_is_setup(Model m, ParticleIndex pi) -> bool
15614 get_is_setup(_ParticleAdaptor p) -> bool
15616 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
15618 def show(self, *args):
15619 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
15620 return _IMP_core.SoftwareProvenance_show(self, *args)
15623 def setup_particle(*args):
15625 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
15626 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
15627 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
15628 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
15630 return _IMP_core.SoftwareProvenance_setup_particle(*args)
15632 def add_attribute(self, *args):
15634 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
15635 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15636 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15637 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15638 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15639 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
15640 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15641 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
15642 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15643 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15644 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15645 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15647 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
15649 def get_value(self, *args):
15651 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
15652 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
15653 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
15654 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
15655 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
15656 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
15657 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
15658 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
15659 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
15660 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
15661 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15663 return _IMP_core.SoftwareProvenance_get_value(self, *args)
15665 def set_value(self, *args):
15667 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15668 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15669 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15670 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15671 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
15672 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15673 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
15674 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15675 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15676 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15677 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15679 return _IMP_core.SoftwareProvenance_set_value(self, *args)
15681 def remove_attribute(self, *args):
15683 remove_attribute(SoftwareProvenance self, FloatKey a0)
15684 remove_attribute(SoftwareProvenance self, IntKey a0)
15685 remove_attribute(SoftwareProvenance self, FloatsKey a0)
15686 remove_attribute(SoftwareProvenance self, IntsKey a0)
15687 remove_attribute(SoftwareProvenance self, StringKey a0)
15688 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
15689 remove_attribute(SoftwareProvenance self, ObjectKey a0)
15690 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
15691 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
15692 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
15693 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
15695 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
15697 def has_attribute(self, *args):
15699 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
15700 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
15701 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
15702 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
15703 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
15704 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
15705 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
15706 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
15707 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
15708 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
15709 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
15711 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
15713 def get_derivative(self, a0):
15714 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
15715 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
15717 def get_name(self):
15718 r"""get_name(SoftwareProvenance self) -> std::string"""
15719 return _IMP_core.SoftwareProvenance_get_name(self)
15721 def clear_caches(self):
15722 r"""clear_caches(SoftwareProvenance self)"""
15723 return _IMP_core.SoftwareProvenance_clear_caches(self)
15725 def set_name(self, a0):
15726 r"""set_name(SoftwareProvenance self, std::string a0)"""
15727 return _IMP_core.SoftwareProvenance_set_name(self, a0)
15730 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
15731 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
15733 def add_to_derivative(self, a0, a1, a2):
15734 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15735 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
15737 def set_is_optimized(self, a0, a1):
15738 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
15739 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
15741 def get_is_optimized(self, a0):
15742 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
15743 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
15746 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
15747 return _IMP_core.SoftwareProvenance_get_check_level(self)
15749 def __eq__(self, *args):
15751 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15752 __eq__(SoftwareProvenance self, Particle d) -> bool
15754 return _IMP_core.SoftwareProvenance___eq__(self, *args)
15756 def __ne__(self, *args):
15758 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15759 __ne__(SoftwareProvenance self, Particle d) -> bool
15761 return _IMP_core.SoftwareProvenance___ne__(self, *args)
15763 def __le__(self, *args):
15765 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15766 __le__(SoftwareProvenance self, Particle d) -> bool
15768 return _IMP_core.SoftwareProvenance___le__(self, *args)
15770 def __lt__(self, *args):
15772 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15773 __lt__(SoftwareProvenance self, Particle d) -> bool
15775 return _IMP_core.SoftwareProvenance___lt__(self, *args)
15777 def __ge__(self, *args):
15779 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15780 __ge__(SoftwareProvenance self, Particle d) -> bool
15782 return _IMP_core.SoftwareProvenance___ge__(self, *args)
15784 def __gt__(self, *args):
15786 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15787 __gt__(SoftwareProvenance self, Particle d) -> bool
15789 return _IMP_core.SoftwareProvenance___gt__(self, *args)
15791 def __hash__(self):
15792 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
15793 return _IMP_core.SoftwareProvenance___hash__(self)
15796 r"""__str__(SoftwareProvenance self) -> std::string"""
15797 return _IMP_core.SoftwareProvenance___str__(self)
15799 def __repr__(self):
15800 r"""__repr__(SoftwareProvenance self) -> std::string"""
15801 return _IMP_core.SoftwareProvenance___repr__(self)
15803 def _get_as_binary(self):
15804 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
15805 return _IMP_core.SoftwareProvenance__get_as_binary(self)
15807 def _set_from_binary(self, p):
15808 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
15809 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
15811 def __getstate__(self):
15812 p = self._get_as_binary()
15813 if len(self.__dict__) > 1:
15814 d = self.__dict__.copy()
15819 def __setstate__(self, p):
15820 if not hasattr(self,
'this'):
15822 if isinstance(p, tuple):
15824 self.__dict__.update(d)
15825 return self._set_from_binary(p)
15827 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
15830 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
15832 r"""Proxy of C++ IMP::core::Provenanced class."""
15834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15836 def get_provenance(self):
15837 r"""get_provenance(Provenanced self) -> Provenance"""
15838 return _IMP_core.Provenanced_get_provenance(self)
15840 def set_provenance(self, p):
15841 r"""set_provenance(Provenanced self, Provenance p)"""
15842 return _IMP_core.Provenanced_set_provenance(self, p)
15844 def __init__(self, *args):
15846 __init__(Provenanced self) -> Provenanced
15847 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
15848 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
15850 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
15853 def get_is_setup(*args):
15855 get_is_setup(Model m, ParticleIndex pi) -> bool
15856 get_is_setup(_ParticleAdaptor p) -> bool
15858 return _IMP_core.Provenanced_get_is_setup(*args)
15860 def show(self, *args):
15861 r"""show(Provenanced self, _ostream out=std::cout)"""
15862 return _IMP_core.Provenanced_show(self, *args)
15865 def setup_particle(*args):
15867 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
15868 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
15870 return _IMP_core.Provenanced_setup_particle(*args)
15872 def add_attribute(self, *args):
15874 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
15875 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
15876 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
15877 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
15878 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
15879 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
15880 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
15881 add_attribute(Provenanced self, ObjectKey a0, Object a1)
15882 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
15883 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
15884 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
15885 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
15887 return _IMP_core.Provenanced_add_attribute(self, *args)
15889 def get_value(self, *args):
15891 get_value(Provenanced self, FloatKey a0) -> IMP::Float
15892 get_value(Provenanced self, IntKey a0) -> IMP::Int
15893 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
15894 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
15895 get_value(Provenanced self, StringKey a0) -> IMP::String
15896 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
15897 get_value(Provenanced self, ObjectKey a0) -> Object
15898 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
15899 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
15900 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
15901 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
15903 return _IMP_core.Provenanced_get_value(self, *args)
15905 def set_value(self, *args):
15907 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
15908 set_value(Provenanced self, IntKey a0, IMP::Int a1)
15909 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
15910 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
15911 set_value(Provenanced self, StringKey a0, IMP::String a1)
15912 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
15913 set_value(Provenanced self, ObjectKey a0, Object a1)
15914 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
15915 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
15916 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
15917 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
15919 return _IMP_core.Provenanced_set_value(self, *args)
15921 def remove_attribute(self, *args):
15923 remove_attribute(Provenanced self, FloatKey a0)
15924 remove_attribute(Provenanced self, IntKey a0)
15925 remove_attribute(Provenanced self, FloatsKey a0)
15926 remove_attribute(Provenanced self, IntsKey a0)
15927 remove_attribute(Provenanced self, StringKey a0)
15928 remove_attribute(Provenanced self, ParticleIndexKey a0)
15929 remove_attribute(Provenanced self, ObjectKey a0)
15930 remove_attribute(Provenanced self, SparseFloatKey a0)
15931 remove_attribute(Provenanced self, SparseIntKey a0)
15932 remove_attribute(Provenanced self, SparseStringKey a0)
15933 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
15935 return _IMP_core.Provenanced_remove_attribute(self, *args)
15937 def has_attribute(self, *args):
15939 has_attribute(Provenanced self, FloatKey a0) -> bool
15940 has_attribute(Provenanced self, IntKey a0) -> bool
15941 has_attribute(Provenanced self, FloatsKey a0) -> bool
15942 has_attribute(Provenanced self, IntsKey a0) -> bool
15943 has_attribute(Provenanced self, StringKey a0) -> bool
15944 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
15945 has_attribute(Provenanced self, ObjectKey a0) -> bool
15946 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
15947 has_attribute(Provenanced self, SparseIntKey a0) -> bool
15948 has_attribute(Provenanced self, SparseStringKey a0) -> bool
15949 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
15951 return _IMP_core.Provenanced_has_attribute(self, *args)
15953 def get_derivative(self, a0):
15954 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
15955 return _IMP_core.Provenanced_get_derivative(self, a0)
15957 def get_name(self):
15958 r"""get_name(Provenanced self) -> std::string"""
15959 return _IMP_core.Provenanced_get_name(self)
15961 def clear_caches(self):
15962 r"""clear_caches(Provenanced self)"""
15963 return _IMP_core.Provenanced_clear_caches(self)
15965 def set_name(self, a0):
15966 r"""set_name(Provenanced self, std::string a0)"""
15967 return _IMP_core.Provenanced_set_name(self, a0)
15970 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
15971 return _IMP_core.Provenanced_set_check_level(self, a0)
15973 def add_to_derivative(self, a0, a1, a2):
15974 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15975 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
15977 def set_is_optimized(self, a0, a1):
15978 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
15979 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
15981 def get_is_optimized(self, a0):
15982 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
15983 return _IMP_core.Provenanced_get_is_optimized(self, a0)
15986 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
15987 return _IMP_core.Provenanced_get_check_level(self)
15989 def __eq__(self, *args):
15991 __eq__(Provenanced self, Provenanced o) -> bool
15992 __eq__(Provenanced self, Particle d) -> bool
15994 return _IMP_core.Provenanced___eq__(self, *args)
15996 def __ne__(self, *args):
15998 __ne__(Provenanced self, Provenanced o) -> bool
15999 __ne__(Provenanced self, Particle d) -> bool
16001 return _IMP_core.Provenanced___ne__(self, *args)
16003 def __le__(self, *args):
16005 __le__(Provenanced self, Provenanced o) -> bool
16006 __le__(Provenanced self, Particle d) -> bool
16008 return _IMP_core.Provenanced___le__(self, *args)
16010 def __lt__(self, *args):
16012 __lt__(Provenanced self, Provenanced o) -> bool
16013 __lt__(Provenanced self, Particle d) -> bool
16015 return _IMP_core.Provenanced___lt__(self, *args)
16017 def __ge__(self, *args):
16019 __ge__(Provenanced self, Provenanced o) -> bool
16020 __ge__(Provenanced self, Particle d) -> bool
16022 return _IMP_core.Provenanced___ge__(self, *args)
16024 def __gt__(self, *args):
16026 __gt__(Provenanced self, Provenanced o) -> bool
16027 __gt__(Provenanced self, Particle d) -> bool
16029 return _IMP_core.Provenanced___gt__(self, *args)
16031 def __hash__(self):
16032 r"""__hash__(Provenanced self) -> std::size_t"""
16033 return _IMP_core.Provenanced___hash__(self)
16036 r"""__str__(Provenanced self) -> std::string"""
16037 return _IMP_core.Provenanced___str__(self)
16039 def __repr__(self):
16040 r"""__repr__(Provenanced self) -> std::string"""
16041 return _IMP_core.Provenanced___repr__(self)
16043 def _get_as_binary(self):
16044 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16045 return _IMP_core.Provenanced__get_as_binary(self)
16047 def _set_from_binary(self, p):
16048 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16049 return _IMP_core.Provenanced__set_from_binary(self, p)
16051 def __getstate__(self):
16052 p = self._get_as_binary()
16053 if len(self.__dict__) > 1:
16054 d = self.__dict__.copy()
16059 def __setstate__(self, p):
16060 if not hasattr(self,
'this'):
16062 if isinstance(p, tuple):
16064 self.__dict__.update(d)
16065 return self._set_from_binary(p)
16067 __swig_destroy__ = _IMP_core.delete_Provenanced
16070 _IMP_core.Provenanced_swigregister(Provenanced)
16073 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16074 return _IMP_core.add_provenance(m, pi, p)
16077 r"""create_clone(Provenance p) -> Provenance"""
16078 return _IMP_core.create_clone(p)
16082 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16083 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
16084 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
16086 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16089 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16090 return _IMP_core.create_restraint(ps, pp)
16092 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16094 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16096 def __init__(self, *args):
16098 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16099 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16101 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16103 def get_version_info(self):
16104 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16105 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16106 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16109 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16110 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16112 def __repr__(self):
16113 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16114 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16118 return _object_cast_to_TruncatedHarmonic(o)
16122 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16124 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16128 def __init__(self, *args):
16130 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16131 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16133 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16135 def get_version_info(self):
16136 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16137 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16138 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16141 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16142 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16144 def __repr__(self):
16145 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16146 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16150 return _object_cast_to_TruncatedHarmonic(o)
16154 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16156 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16158 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16160 def __init__(self, *args):
16162 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16163 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16165 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16167 def get_version_info(self):
16168 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16169 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16170 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16173 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16174 return _IMP_core.TruncatedHarmonicBound___str__(self)
16176 def __repr__(self):
16177 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16178 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16182 return _object_cast_to_TruncatedHarmonic(o)
16186 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16188 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16192 def __init__(self, *args):
16194 __init__(ParticleType self) -> ParticleType
16195 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16196 __init__(ParticleType self, unsigned int i) -> ParticleType
16198 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16202 r"""add_key(std::string sc) -> unsigned int"""
16203 return _IMP_core.ParticleType_add_key(sc)
16206 def get_key_exists(sc):
16207 r"""get_key_exists(std::string sc) -> bool"""
16208 return _IMP_core.ParticleType_get_key_exists(sc)
16210 def get_string(self):
16211 r"""get_string(ParticleType self) -> std::string const"""
16212 return _IMP_core.ParticleType_get_string(self)
16214 def __cmp__(self, o):
16215 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16216 return _IMP_core.ParticleType___cmp__(self, o)
16218 def __eq__(self, o):
16219 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16220 return _IMP_core.ParticleType___eq__(self, o)
16222 def __ne__(self, o):
16223 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16224 return _IMP_core.ParticleType___ne__(self, o)
16226 def __lt__(self, o):
16227 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16228 return _IMP_core.ParticleType___lt__(self, o)
16230 def __gt__(self, o):
16231 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16232 return _IMP_core.ParticleType___gt__(self, o)
16234 def __ge__(self, o):
16235 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16236 return _IMP_core.ParticleType___ge__(self, o)
16238 def __le__(self, o):
16239 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16240 return _IMP_core.ParticleType___le__(self, o)
16242 def __hash__(self):
16243 r"""__hash__(ParticleType self) -> std::size_t"""
16244 return _IMP_core.ParticleType___hash__(self)
16246 def show(self, *args):
16247 r"""show(ParticleType self, _ostream out=std::cout)"""
16248 return _IMP_core.ParticleType_show(self, *args)
16251 def add_alias(old_key, new_name):
16252 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16253 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16256 def get_number_of_keys():
16257 r"""get_number_of_keys() -> unsigned int"""
16258 return _IMP_core.ParticleType_get_number_of_keys()
16261 r"""get_index(ParticleType self) -> unsigned int"""
16262 return _IMP_core.ParticleType_get_index(self)
16266 r"""show_all(_ostream out)"""
16267 return _IMP_core.ParticleType_show_all(out)
16270 def get_all_strings():
16271 r"""get_all_strings() -> IMP::Vector< std::string >"""
16272 return _IMP_core.ParticleType_get_all_strings()
16275 def get_number_unique():
16276 r"""get_number_unique() -> unsigned int"""
16277 return _IMP_core.ParticleType_get_number_unique()
16280 r"""__str__(ParticleType self) -> std::string"""
16281 return _IMP_core.ParticleType___str__(self)
16283 def __repr__(self):
16284 r"""__repr__(ParticleType self) -> std::string"""
16285 return _IMP_core.ParticleType___repr__(self)
16286 __swig_destroy__ = _IMP_core.delete_ParticleType
16289 _IMP_core.ParticleType_swigregister(ParticleType)
16291 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16294 __repr__ = _swig_repr
16296 def __init__(self, f, k):
16297 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16298 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16300 def do_get_inputs(self, m, pis):
16301 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16302 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16304 def get_unary_function(self):
16305 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16306 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16308 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16309 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"""
16310 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16312 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16313 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"""
16314 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16316 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16317 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"""
16318 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16320 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16321 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"""
16322 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16324 def get_version_info(self):
16325 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16326 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16327 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16331 return _object_cast_to_AttributeSingletonScore(o)
16335 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16338 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16339 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16341 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16344 __repr__ = _swig_repr
16346 def __init__(self, f, bb):
16347 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16348 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16350 def get_unary_function(self):
16351 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16352 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16355 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16356 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16358 def do_get_inputs(self, m, pis):
16359 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16360 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16362 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16363 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"""
16364 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16366 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16367 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"""
16368 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16370 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16371 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"""
16372 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16374 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16375 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"""
16376 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16378 def get_version_info(self):
16379 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16380 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16381 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16385 return _object_cast_to_BoundingBox3DSingletonScore(o)
16388 def _get_jax(self):
16389 import jax.numpy
as jnp
16391 def score(jm, indexes, box_min, box_max, uf):
16392 xyzs = jm[
'xyz'][indexes]
16399 drs = jnp.linalg.norm(
16400 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16402 uf = self.get_unary_function().get_derived_object()
16403 bb = self.get_bounding_box()
16404 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16405 box_max=jnp.asarray(bb.get_corner(1)),
16407 return self._wrap_jax(f)
16411 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16413 def create_bounding_box_3d_singleton_score(f, bb):
16414 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16415 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16417 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16419 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16420 __repr__ = _swig_repr
16422 def __init__(self, f, sphere):
16423 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16424 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16426 def do_get_inputs(self, m, pis):
16427 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16428 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16430 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16431 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"""
16432 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16434 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16435 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"""
16436 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16438 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16439 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"""
16440 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16442 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16443 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"""
16444 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16446 def get_version_info(self):
16447 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16448 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16449 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16453 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16457 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16459 def create_bounding_sphere_3d_singleton_score(f, sphere):
16460 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16461 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16463 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16465 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16466 __repr__ = _swig_repr
16468 def __init__(self, *args):
16470 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16471 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16473 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16475 def do_get_inputs(self, m, pis):
16476 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16477 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16479 def get_unary_function(self):
16480 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16481 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
16483 def get_point(self):
16484 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
16485 return _IMP_core.DistanceToSingletonScore_get_point(self)
16487 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16488 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"""
16489 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16491 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16492 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"""
16493 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16495 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16496 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"""
16497 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16499 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16500 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"""
16501 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16503 def get_version_info(self):
16504 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
16505 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
16506 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
16510 return _object_cast_to_DistanceToSingletonScore(o)
16513 def _get_as_binary(self):
16514 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
16515 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
16517 def _set_from_binary(self, p):
16518 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
16519 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
16521 def __getstate__(self):
16522 p = self._get_as_binary()
16523 if len(self.__dict__) > 1:
16524 d = self.__dict__.copy()
16529 def __setstate__(self, p):
16530 if not hasattr(self,
'this'):
16532 if isinstance(p, tuple):
16534 self.__dict__.update(d)
16535 return self._set_from_binary(p)
16538 def _get_jax(self):
16539 import jax.numpy
as jnp
16541 def score(jm, indexes, point, uf):
16542 xyzs = jm[
'xyz'][indexes]
16543 drs = jnp.linalg.norm(xyzs - point, axis=1)
16545 uf = self.get_unary_function().get_derived_object()
16546 f = functools.partial(score, point=jnp.array(self.get_point()),
16548 return self._wrap_jax(f)
16552 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
16554 def create_distance_to_singleton_score(f, pt):
16555 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
16556 return _IMP_core.create_distance_to_singleton_score(f, pt)
16558 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
16559 def __init__(self, uf):
16560 if isinstance(uf, HarmonicUpperBound):
16561 p = HarmonicUpperBoundSphereDistancePairScore(
16562 uf.get_mean(), uf.get_k())
16563 elif isinstance(uf, HarmonicLowerBound):
16564 if uf.get_mean() == 0.0:
16565 p = SoftSpherePairScore(uf.get_k())
16567 p = _SphereDistancePairScore(uf)
16568 elif isinstance(uf, Harmonic):
16569 p = HarmonicSphereDistancePairScore(
16570 uf.get_mean(), uf.get_k())
16572 p = _SphereDistancePairScore(uf)
16573 self.__dict__[
'_proxied'] = p
16574 def __getattr__(self, key):
16575 return getattr(self._proxied, key)
16576 def __setattr__(self, key, val):
16577 return setattr(self._proxied, key, val)
16579 def __getstate__(self):
16580 return self.__dict__[
'_proxied']
16582 def __setstate__(self, p):
16583 self.__dict__[
'_proxied'] = p
16588 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
16591 p = HarmonicSphereDistancePairScore.get_from(o)
16594 p = SoftSpherePairScore.get_from(o)
16596 p = _SphereDistancePairScore.get_from(o)
16597 obj = object.__new__(SphereDistancePairScore)
16598 obj.__dict__[
'_proxied'] = p
16604 CombineProvenance, FilterProvenance,
16605 ClusterProvenance, ScriptProvenance,
16606 SoftwareProvenance]):
16607 """Yield all provenance decorators of the given types for the particle.
16608 By default, all provenance types are returned. Provenance is returned
16609 in order, most recent first. If the particle has no provenance
16610 information, an empty generator is returned."""
16611 if Provenanced.get_is_setup(p):
16615 if c.get_is_setup(prov):
16617 prov = prov.get_previous()
16620 """Tag the given particle with the current Python script.
16621 This is a noop if the particle is already so tagged."""
16622 main = sys.modules[
'__main__']
16624 if not hasattr(main,
'__file__'):
16628 if prov.get_filename() == f:
16632 provp.set_name(
'script')
16633 prov = ScriptProvenance.setup_particle(provp, f)
16637 """Tag the given particle with the software used to create it.
16638 This is a noop if the particle is already so tagged."""
16640 if prov.get_software_name() == name
and prov.get_version() == version \
16641 and prov.get_location() == location:
16645 provp.set_name(
'software')
16646 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
16650 """Tag the given particle as being created by the current version of IMP."""
16653 location=
"https://integrativemodeling.org")
16656 def get_module_name():
16657 r"""get_module_name() -> std::string const"""
16658 return _IMP_core.get_module_name()
16661 r"""get_module_version() -> std::string const"""
16662 return _IMP_core.get_module_version()
16665 r"""get_example_path(std::string fname) -> std::string"""
16666 return _IMP_core.get_example_path(fname)
16669 r"""get_data_path(std::string fname) -> std::string"""
16670 return _IMP_core.get_data_path(fname)
16672 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.