17 from sys
import version_info
as _swig_python_version_info
21 import builtins
as __builtin__
27 strthis =
"proxy of " + self.this.__repr__()
28 except __builtin__.Exception:
30 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
33 def _swig_setattr_nondynamic_instance_variable(set):
34 def set_instance_attr(self, name, value):
36 set(self, name, value)
37 elif name ==
"thisown":
39 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
40 set(self, name, value)
42 raise AttributeError(
"You cannot add instance attributes to %s" % self)
43 return set_instance_attr
46 def _swig_setattr_nondynamic_class_variable(set):
47 def set_class_attr(cls, name, value):
48 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
51 raise AttributeError(
"You cannot add class attributes to %s" % cls)
55 def _swig_add_metaclass(metaclass):
56 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
58 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
62 class _SwigNonDynamicMeta(type):
63 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
64 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
69 class IMP_CORE_SwigPyIterator(object):
70 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
72 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
74 def __init__(self, *args, **kwargs):
75 raise AttributeError(
"No constructor defined - class is abstract")
77 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
80 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
81 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
84 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
85 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
88 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
89 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
91 def distance(self, x):
92 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
93 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
96 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
97 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
100 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
101 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
104 r"""next(IMP_CORE_SwigPyIterator self) -> PyObject *"""
105 return _IMP_core.IMP_CORE_SwigPyIterator_next(self)
108 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
109 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
112 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
113 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
115 def advance(self, n):
116 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
117 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
120 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
121 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
124 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
125 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
127 def __iadd__(self, n):
128 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
129 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
131 def __isub__(self, n):
132 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
133 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
135 def __add__(self, n):
136 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
137 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
139 def __sub__(self, *args):
141 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
142 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
144 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
149 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
156 IMP_DEBUG = _IMP_core.IMP_DEBUG
158 IMP_RELEASE = _IMP_core.IMP_RELEASE
160 IMP_SILENT = _IMP_core.IMP_SILENT
162 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
164 IMP_TERSE = _IMP_core.IMP_TERSE
166 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
168 IMP_MEMORY = _IMP_core.IMP_MEMORY
170 IMP_NONE = _IMP_core.IMP_NONE
172 IMP_USAGE = _IMP_core.IMP_USAGE
174 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
176 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
178 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
180 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
182 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
184 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
186 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
188 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
190 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
192 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
194 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
196 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
198 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
202 class _DirectorObjects:
203 """@internal Simple class to keep references to director objects
204 to prevent premature deletion."""
207 def register(self, obj):
208 """Take a reference to a director object; will only work for
209 refcounted C++ classes"""
210 if hasattr(obj,
'get_ref_count'):
211 self._objects.append(obj)
213 """Only drop our reference and allow cleanup by Python if no other
214 Python references exist (we hold 3 references: one in self._objects,
215 one in x, and one in the argument list for getrefcount) *and* no
216 other C++ references exist (the Python object always holds one)"""
217 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
218 or x.get_ref_count() > 1]
222 def get_object_count(self):
223 """Get number of director objects (useful for testing only)"""
224 return len(self._objects)
225 _director_objects = _DirectorObjects()
227 class _ostream(object):
228 r"""Proxy of C++ std::ostream class."""
230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
232 def __init__(self, *args, **kwargs):
233 raise AttributeError(
"No constructor defined")
234 __repr__ = _swig_repr
236 def write(self, osa_buf):
237 r"""write(_ostream self, char const * osa_buf)"""
238 return _IMP_core._ostream_write(self, osa_buf)
241 _IMP_core._ostream_swigregister(_ostream)
242 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
245 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
249 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
251 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
253 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
256 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
258 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
260 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
262 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
283 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
285 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
288 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
298 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
300 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
302 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
305 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
307 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
309 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
311 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
313 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
315 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
317 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
319 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
321 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
324 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
327 __repr__ = _swig_repr
329 def __init__(self, *args):
330 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
331 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
333 def get_version_info(self):
334 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
335 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
336 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
339 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
341 _object_types.append(
"MonteCarloMover")
344 def _object_cast_to_MonteCarloMover(o):
345 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
346 return _IMP_core._object_cast_to_MonteCarloMover(o)
348 MonteCarloMoverResults=list
349 _plural_types.append(
"MonteCarloMoverResults")
350 _value_types.append(
"MonteCarloMoverResult")
353 _object_types.append(
"AngleRestraint")
356 def _object_cast_to_AngleRestraint(o):
357 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
358 return _IMP_core._object_cast_to_AngleRestraint(o)
360 _object_types.append(
"AngleTripletScore")
363 def _object_cast_to_AngleTripletScore(o):
364 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
365 return _IMP_core._object_cast_to_AngleTripletScore(o)
367 _object_types.append(
"AttributeSingletonScore")
370 def _object_cast_to_AttributeSingletonScore(o):
371 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
372 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
374 _object_types.append(
"BallMover")
377 def _object_cast_to_BallMover(o):
378 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
379 return _IMP_core._object_cast_to_BallMover(o)
381 _object_types.append(
"SerialMover")
384 def _object_cast_to_SerialMover(o):
385 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
386 return _IMP_core._object_cast_to_SerialMover(o)
388 _object_types.append(
"SubsetMover")
391 def _object_cast_to_SubsetMover(o):
392 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
393 return _IMP_core._object_cast_to_SubsetMover(o)
395 _object_types.append(
"DirectionMover")
398 def _object_cast_to_DirectionMover(o):
399 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
400 return _IMP_core._object_cast_to_DirectionMover(o)
402 _object_types.append(
"SurfaceMover")
405 def _object_cast_to_SurfaceMover(o):
406 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
407 return _IMP_core._object_cast_to_SurfaceMover(o)
409 _object_types.append(
"BoundingBox3DSingletonScore")
412 def _object_cast_to_BoundingBox3DSingletonScore(o):
413 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
416 _object_types.append(
"BoundingSphere3DSingletonScore")
419 def _object_cast_to_BoundingSphere3DSingletonScore(o):
420 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
421 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
423 _object_types.append(
"BoxSweepClosePairsFinder")
426 def _object_cast_to_BoxSweepClosePairsFinder(o):
427 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
428 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
430 _object_types.append(
"NearestNeighborsClosePairsFinder")
433 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
434 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
435 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
437 _object_types.append(
"CentroidOfRefined")
440 def _object_cast_to_CentroidOfRefined(o):
441 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
442 return _IMP_core._object_cast_to_CentroidOfRefined(o)
444 _object_types.append(
"ChecksScoreState")
447 def _object_cast_to_ChecksScoreState(o):
448 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
449 return _IMP_core._object_cast_to_ChecksScoreState(o)
451 _object_types.append(
"ChildrenRefiner")
454 def _object_cast_to_ChildrenRefiner(o):
455 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
456 return _IMP_core._object_cast_to_ChildrenRefiner(o)
458 _object_types.append(
"ClosePairsFinder")
461 def _object_cast_to_ClosePairsFinder(o):
462 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
463 return _IMP_core._object_cast_to_ClosePairsFinder(o)
465 _object_types.append(
"ClosePairsPairScore")
468 def _object_cast_to_ClosePairsPairScore(o):
469 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
470 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
472 _object_types.append(
"ClosedCubicSpline")
475 def _object_cast_to_ClosedCubicSpline(o):
476 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
477 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
479 _object_types.append(
"ConjugateGradients")
482 def _object_cast_to_ConjugateGradients(o):
483 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
484 return _IMP_core._object_cast_to_ConjugateGradients(o)
486 _object_types.append(
"ConnectivityRestraint")
489 def _object_cast_to_ConnectivityRestraint(o):
490 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
491 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
493 _object_types.append(
"ConstantRestraint")
496 def _object_cast_to_ConstantRestraint(o):
497 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
498 return _IMP_core._object_cast_to_ConstantRestraint(o)
500 _object_types.append(
"Cosine")
503 def _object_cast_to_Cosine(o):
504 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
505 return _IMP_core._object_cast_to_Cosine(o)
507 _object_types.append(
"CoverRefined")
510 def _object_cast_to_CoverRefined(o):
511 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
512 return _IMP_core._object_cast_to_CoverRefined(o)
514 _object_types.append(
"DerivativesFromRefined")
517 def _object_cast_to_DerivativesFromRefined(o):
518 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
519 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
521 _object_types.append(
"DerivativesToRefined")
524 def _object_cast_to_DerivativesToRefined(o):
525 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
526 return _IMP_core._object_cast_to_DerivativesToRefined(o)
528 _object_types.append(
"WeightedDerivativesToRefined")
531 def _object_cast_to_WeightedDerivativesToRefined(o):
532 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
533 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
535 _object_types.append(
"DiameterRestraint")
538 def _object_cast_to_DiameterRestraint(o):
539 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
540 return _IMP_core._object_cast_to_DiameterRestraint(o)
542 _object_types.append(
"DihedralRestraint")
545 def _object_cast_to_DihedralRestraint(o):
546 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
547 return _IMP_core._object_cast_to_DihedralRestraint(o)
549 _object_types.append(
"DistanceRestraint")
552 def _object_cast_to_DistanceRestraint(o):
553 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
554 return _IMP_core._object_cast_to_DistanceRestraint(o)
556 _object_types.append(
"DistanceToSingletonScore")
559 def _object_cast_to_DistanceToSingletonScore(o):
560 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
561 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
563 _object_types.append(
"ExcludedVolumeRestraint")
566 def _object_cast_to_ExcludedVolumeRestraint(o):
567 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
568 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
570 _object_types.append(
"FixedRefiner")
573 def _object_cast_to_FixedRefiner(o):
574 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
575 return _IMP_core._object_cast_to_FixedRefiner(o)
577 _object_types.append(
"GridClosePairsFinder")
580 def _object_cast_to_GridClosePairsFinder(o):
581 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
582 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
584 _object_types.append(
"Harmonic")
587 def _object_cast_to_Harmonic(o):
588 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
589 return _IMP_core._object_cast_to_Harmonic(o)
591 _object_types.append(
"HarmonicWell")
594 def _object_cast_to_HarmonicWell(o):
595 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
596 return _IMP_core._object_cast_to_HarmonicWell(o)
598 _object_types.append(
"HarmonicLowerBound")
601 def _object_cast_to_HarmonicLowerBound(o):
602 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
603 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
605 _object_types.append(
"HarmonicUpperBound")
608 def _object_cast_to_HarmonicUpperBound(o):
609 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
610 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
612 _object_types.append(
"HarmonicSphereDistancePairScore")
615 def _object_cast_to_HarmonicSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
626 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
629 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
630 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
631 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDistancePairScore")
636 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
640 _object_types.append(
"HarmonicSurfaceHeightPairScore")
643 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
647 _object_types.append(
"HarmonicSurfaceDepthPairScore")
650 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
651 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
652 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
654 _object_types.append(
"WeightedSum")
657 def _object_cast_to_WeightedSum(o):
658 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
659 return _IMP_core._object_cast_to_WeightedSum(o)
661 _object_types.append(
"WeightedSumOfExponential")
664 def _object_cast_to_WeightedSumOfExponential(o):
665 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
666 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
668 _object_types.append(
"KClosePairsPairScore")
671 def _object_cast_to_KClosePairsPairScore(o):
672 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
673 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
675 _object_types.append(
"LeavesRefiner")
678 def _object_cast_to_LeavesRefiner(o):
679 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
680 return _IMP_core._object_cast_to_LeavesRefiner(o)
682 _object_types.append(
"Linear")
685 def _object_cast_to_Linear(o):
686 r"""_object_cast_to_Linear(Object o) -> Linear"""
687 return _IMP_core._object_cast_to_Linear(o)
689 _object_types.append(
"LogNormalMover")
692 def _object_cast_to_LogNormalMover(o):
693 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
694 return _IMP_core._object_cast_to_LogNormalMover(o)
696 _object_types.append(
"MCCGSampler")
699 def _object_cast_to_MCCGSampler(o):
700 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
701 return _IMP_core._object_cast_to_MCCGSampler(o)
703 _object_types.append(
"MonteCarlo")
706 def _object_cast_to_MonteCarlo(o):
707 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
708 return _IMP_core._object_cast_to_MonteCarlo(o)
710 _object_types.append(
"MonteCarloWithLocalOptimization")
713 def _object_cast_to_MonteCarloWithLocalOptimization(o):
714 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
715 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
717 _object_types.append(
"MonteCarloWithBasinHopping")
720 def _object_cast_to_MonteCarloWithBasinHopping(o):
721 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
722 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
724 _object_types.append(
"MSConnectivityRestraint")
727 def _object_cast_to_MSConnectivityRestraint(o):
728 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
729 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
731 _object_types.append(
"NeighborsTable")
734 def _object_cast_to_NeighborsTable(o):
735 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
736 return _IMP_core._object_cast_to_NeighborsTable(o)
738 _object_types.append(
"NormalMover")
741 def _object_cast_to_NormalMover(o):
742 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
743 return _IMP_core._object_cast_to_NormalMover(o)
745 _object_types.append(
"NormalizedSphereDistancePairScore")
748 def _object_cast_to_NormalizedSphereDistancePairScore(o):
749 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
750 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
752 _object_types.append(
"OpenCubicSpline")
755 def _object_cast_to_OpenCubicSpline(o):
756 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
757 return _IMP_core._object_cast_to_OpenCubicSpline(o)
759 _object_types.append(
"PairConstraint")
762 def _object_cast_to_PairConstraint(o):
763 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
764 return _IMP_core._object_cast_to_PairConstraint(o)
766 _object_types.append(
"PairRestraint")
769 def _object_cast_to_PairRestraint(o):
770 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
771 return _IMP_core._object_cast_to_PairRestraint(o)
773 _object_types.append(
"QuadConstraint")
776 def _object_cast_to_QuadConstraint(o):
777 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
778 return _IMP_core._object_cast_to_QuadConstraint(o)
780 _object_types.append(
"QuadRestraint")
783 def _object_cast_to_QuadRestraint(o):
784 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
785 return _IMP_core._object_cast_to_QuadRestraint(o)
787 _object_types.append(
"QuadraticClosePairsFinder")
790 def _object_cast_to_QuadraticClosePairsFinder(o):
791 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
792 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
794 _object_types.append(
"RefinedPairsPairScore")
797 def _object_cast_to_RefinedPairsPairScore(o):
798 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
799 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
801 _object_types.append(
"RestraintsScoringFunction")
804 def _object_cast_to_RestraintsScoringFunction(o):
805 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
806 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
808 _object_types.append(
"RigidBodyDistancePairScore")
811 def _object_cast_to_RigidBodyDistancePairScore(o):
812 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
815 _object_types.append(
"RigidBodyAnglePairScore")
818 def _object_cast_to_RigidBodyAnglePairScore(o):
819 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
820 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
822 _object_types.append(
"RigidBodyMover")
825 def _object_cast_to_RigidBodyMover(o):
826 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
827 return _IMP_core._object_cast_to_RigidBodyMover(o)
829 _object_types.append(
"RigidBodyTunneler")
832 def _object_cast_to_RigidBodyTunneler(o):
833 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
834 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
836 _object_types.append(
"RigidBodyUmbrella")
839 def _object_cast_to_RigidBodyUmbrella(o):
840 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
841 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
843 _object_types.append(
"_UpdateRigidBodyMembers")
846 def _object_cast_to__UpdateRigidBodyMembers(o):
847 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
848 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
850 _object_types.append(
"_AccumulateRigidBodyDerivatives")
853 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
854 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
855 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
857 _object_types.append(
"_RigidBodyNormalizeConstraint")
860 def _object_cast_to__RigidBodyNormalizeConstraint(o):
861 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
864 _object_types.append(
"_NormalizeRotation")
867 def _object_cast_to__NormalizeRotation(o):
868 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
869 return _IMP_core._object_cast_to__NormalizeRotation(o)
871 _object_types.append(
"_RigidBodyPositionConstraint")
874 def _object_cast_to__RigidBodyPositionConstraint(o):
875 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
876 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
878 _object_types.append(
"RigidClosePairsFinder")
881 def _object_cast_to_RigidClosePairsFinder(o):
882 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
883 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
885 _object_types.append(
"RigidMembersRefiner")
888 def _object_cast_to_RigidMembersRefiner(o):
889 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
890 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
892 _object_types.append(
"SingletonConstraint")
895 def _object_cast_to_SingletonConstraint(o):
896 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
897 return _IMP_core._object_cast_to_SingletonConstraint(o)
899 _object_types.append(
"SingletonRestraint")
902 def _object_cast_to_SingletonRestraint(o):
903 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
904 return _IMP_core._object_cast_to_SingletonRestraint(o)
906 _object_types.append(
"SoftSpherePairScore")
909 def _object_cast_to_SoftSpherePairScore(o):
910 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
911 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
913 _object_types.append(
"_SphereDistancePairScore")
916 def _object_cast_to__SphereDistancePairScore(o):
917 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
918 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
920 _object_types.append(
"SphereDistanceToSingletonScore")
923 def _object_cast_to_SphereDistanceToSingletonScore(o):
924 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
925 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
927 _object_types.append(
"SoftSubSurfacePairScore")
930 def _object_cast_to_SoftSubSurfacePairScore(o):
931 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
934 _object_types.append(
"SoftSuperSurfacePairScore")
937 def _object_cast_to_SoftSuperSurfacePairScore(o):
938 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
939 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
941 _object_types.append(
"SurfaceDistancePairScore")
944 def _object_cast_to_SurfaceDistancePairScore(o):
945 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
946 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
948 _object_types.append(
"SurfaceHeightPairScore")
951 def _object_cast_to_SurfaceHeightPairScore(o):
952 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
953 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
955 _object_types.append(
"SurfaceDepthPairScore")
958 def _object_cast_to_SurfaceDepthPairScore(o):
959 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
960 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
962 _object_types.append(
"SurfaceTetheredChain")
965 def _object_cast_to_SurfaceTetheredChain(o):
966 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
967 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
969 _object_types.append(
"SurfaceSymmetryConstraint")
972 def _object_cast_to_SurfaceSymmetryConstraint(o):
973 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
974 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
976 _object_types.append(
"SteepestDescent")
979 def _object_cast_to_SteepestDescent(o):
980 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
981 return _IMP_core._object_cast_to_SteepestDescent(o)
983 _object_types.append(
"TableRefiner")
986 def _object_cast_to_TableRefiner(o):
987 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
988 return _IMP_core._object_cast_to_TableRefiner(o)
990 _object_types.append(
"Transform")
993 def _object_cast_to_Transform(o):
994 r"""_object_cast_to_Transform(Object o) -> Transform"""
995 return _IMP_core._object_cast_to_Transform(o)
997 _object_types.append(
"TransformationAndReflectionSymmetry")
1000 def _object_cast_to_TransformationAndReflectionSymmetry(o):
1001 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
1004 _object_types.append(
"TransformationSymmetry")
1007 def _object_cast_to_TransformationSymmetry(o):
1008 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1009 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1011 _object_types.append(
"TransformationSymmetryMover")
1014 def _object_cast_to_TransformationSymmetryMover(o):
1015 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1016 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1018 _object_types.append(
"TransformedDistancePairScore")
1021 def _object_cast_to_TransformedDistancePairScore(o):
1022 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1023 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1025 _object_types.append(
"TripletConstraint")
1028 def _object_cast_to_TripletConstraint(o):
1029 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1030 return _IMP_core._object_cast_to_TripletConstraint(o)
1032 _object_types.append(
"TripletRestraint")
1035 def _object_cast_to_TripletRestraint(o):
1036 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1037 return _IMP_core._object_cast_to_TripletRestraint(o)
1039 _object_types.append(
"TypedPairScore")
1042 def _object_cast_to_TypedPairScore(o):
1043 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1044 return _IMP_core._object_cast_to_TypedPairScore(o)
1046 _object_types.append(
"VolumeRestraint")
1049 def _object_cast_to_VolumeRestraint(o):
1050 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1051 return _IMP_core._object_cast_to_VolumeRestraint(o)
1053 _object_types.append(
"WeightedSphereDistancePairScore")
1056 def _object_cast_to_WeightedSphereDistancePairScore(o):
1057 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1058 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1060 _object_types.append(
"MoveStatisticsScoreState")
1063 def _object_cast_to_MoveStatisticsScoreState(o):
1064 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1065 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1067 _object_types.append(
"MinimumRestraint")
1070 def _object_cast_to_MinimumRestraint(o):
1071 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1072 return _IMP_core._object_cast_to_MinimumRestraint(o)
1074 _object_types.append(
"WriteRestraintScoresOptimizerState")
1077 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1078 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1079 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1081 _object_types.append(
"LateralSurfaceConstraint")
1084 def _object_cast_to_LateralSurfaceConstraint(o):
1085 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1086 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1088 _object_types.append(
"ConstantSingletonPredicate")
1091 def _object_cast_to_ConstantSingletonPredicate(o):
1092 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1093 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1095 _object_types.append(
"ConstantPairPredicate")
1098 def _object_cast_to_ConstantPairPredicate(o):
1099 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1100 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1102 _object_types.append(
"ConstantTripletPredicate")
1105 def _object_cast_to_ConstantTripletPredicate(o):
1106 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1107 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1109 _object_types.append(
"ConstantQuadPredicate")
1112 def _object_cast_to_ConstantQuadPredicate(o):
1113 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1114 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1116 _object_types.append(
"CoinFlipSingletonPredicate")
1119 def _object_cast_to_CoinFlipSingletonPredicate(o):
1120 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1123 _object_types.append(
"CoinFlipPairPredicate")
1126 def _object_cast_to_CoinFlipPairPredicate(o):
1127 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1130 _object_types.append(
"CoinFlipTripletPredicate")
1133 def _object_cast_to_CoinFlipTripletPredicate(o):
1134 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1137 _object_types.append(
"CoinFlipQuadPredicate")
1140 def _object_cast_to_CoinFlipQuadPredicate(o):
1141 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1142 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1144 _object_types.append(
"UnorderedTypeSingletonPredicate")
1147 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1151 _object_types.append(
"UnorderedTypePairPredicate")
1154 def _object_cast_to_UnorderedTypePairPredicate(o):
1155 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1158 _object_types.append(
"UnorderedTypeTripletPredicate")
1161 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1165 _object_types.append(
"UnorderedTypeQuadPredicate")
1168 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1169 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1170 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1172 _object_types.append(
"OrderedTypeSingletonPredicate")
1175 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1176 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1179 _object_types.append(
"OrderedTypePairPredicate")
1182 def _object_cast_to_OrderedTypePairPredicate(o):
1183 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1186 _object_types.append(
"OrderedTypeTripletPredicate")
1189 def _object_cast_to_OrderedTypeTripletPredicate(o):
1190 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1193 _object_types.append(
"OrderedTypeQuadPredicate")
1196 def _object_cast_to_OrderedTypeQuadPredicate(o):
1197 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1198 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1200 _object_types.append(
"AllSameSingletonPredicate")
1203 def _object_cast_to_AllSameSingletonPredicate(o):
1204 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1205 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1207 _object_types.append(
"AllSamePairPredicate")
1210 def _object_cast_to_AllSamePairPredicate(o):
1211 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1212 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1214 _object_types.append(
"AllSameTripletPredicate")
1217 def _object_cast_to_AllSameTripletPredicate(o):
1218 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1219 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1221 _object_types.append(
"AllSameQuadPredicate")
1224 def _object_cast_to_AllSameQuadPredicate(o):
1225 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1226 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1229 return [XYZ(x)
for x
in l]
1230 _plural_types.append(
"XYZs")
1233 _value_types.append(
"XYZ")
1237 return [XYZR(x)
for x
in l]
1238 _plural_types.append(
"XYZRs")
1241 _value_types.append(
"XYZR")
1244 def RigidBodies(l=[]):
1245 return [RigidBody(x)
for x
in l]
1246 _plural_types.append(
"RigidBodies")
1249 _value_types.append(
"RigidBody")
1252 def RigidBodyMembers(l=[]):
1253 return [RigidBodyMember(x)
for x
in l]
1254 _plural_types.append(
"RigidBodyMembers")
1257 _value_types.append(
"RigidBodyMember")
1260 def RigidMembers(l=[]):
1261 return [RigidMember(x)
for x
in l]
1262 _plural_types.append(
"RigidMembers")
1265 _value_types.append(
"RigidMember")
1268 def NonRigidMembers(l=[]):
1269 return [NonRigidMember(x)
for x
in l]
1270 _plural_types.append(
"NonRigidMembers")
1273 _value_types.append(
"NonRigidMember")
1276 def Centroids(l=[]):
1277 return [Centroid(x)
for x
in l]
1278 _plural_types.append(
"Centroids")
1281 _value_types.append(
"Centroid")
1285 return [Cover(x)
for x
in l]
1286 _plural_types.append(
"Covers")
1289 _value_types.append(
"Cover")
1292 def References(l=[]):
1293 return [Reference(x)
for x
in l]
1294 _plural_types.append(
"References")
1297 _value_types.append(
"Reference")
1301 _plural_types.append(
"ParticleTypes")
1302 _value_types.append(
"ParticleType")
1306 return [Typed(x)
for x
in l]
1307 _plural_types.append(
"Typeds")
1310 _value_types.append(
"Typed")
1313 def GenericHierarchies(l=[]):
1314 return [Hierarchy(x)
for x
in l]
1315 _plural_types.append(
"GenericHierarchies")
1318 _value_types.append(
"Hierarchy")
1321 def Gaussians(l=[]):
1322 return [Gaussian(x)
for x
in l]
1323 _plural_types.append(
"Gaussians")
1326 _value_types.append(
"Gaussian")
1329 def Directions(l=[]):
1330 return [Direction(x)
for x
in l]
1331 _plural_types.append(
"Directions")
1334 _value_types.append(
"Direction")
1337 def DirectionAngles(l=[]):
1338 return [DirectionAngle(x)
for x
in l]
1339 _plural_types.append(
"DirectionAngles")
1342 _value_types.append(
"DirectionAngle")
1346 return [Surface(x)
for x
in l]
1347 _plural_types.append(
"Surfaces")
1350 _value_types.append(
"Surface")
1353 def Provenances(l=[]):
1354 return [Provenance(x)
for x
in l]
1355 _plural_types.append(
"Provenances")
1358 _value_types.append(
"Provenance")
1361 def StructureProvenances(l=[]):
1362 return [StructureProvenance(x)
for x
in l]
1363 _plural_types.append(
"StructureProvenances")
1366 _value_types.append(
"StructureProvenance")
1369 def SampleProvenances(l=[]):
1370 return [SampleProvenance(x)
for x
in l]
1371 _plural_types.append(
"SampleProvenances")
1374 _value_types.append(
"SampleProvenance")
1377 def ClusterProvenances(l=[]):
1378 return [ClusterProvenance(x)
for x
in l]
1379 _plural_types.append(
"ClusterProvenances")
1382 _value_types.append(
"ClusterProvenance")
1385 def CombineProvenances(l=[]):
1386 return [CombineProvenance(x)
for x
in l]
1387 _plural_types.append(
"CombineProvenances")
1390 _value_types.append(
"CombineProvenance")
1393 def FilterProvenances(l=[]):
1394 return [FilterProvenance(x)
for x
in l]
1395 _plural_types.append(
"FilterProvenances")
1398 _value_types.append(
"FilterProvenance")
1401 def ScriptProvenances(l=[]):
1402 return [ScriptProvenance(x)
for x
in l]
1403 _plural_types.append(
"ScriptProvenances")
1406 _value_types.append(
"ScriptProvenance")
1409 def SoftwareProvenances(l=[]):
1410 return [SoftwareProvenance(x)
for x
in l]
1411 _plural_types.append(
"SoftwareProvenances")
1414 _value_types.append(
"SoftwareProvenance")
1417 def Provenanceds(l=[]):
1418 return [Provenanced(x)
for x
in l]
1419 _plural_types.append(
"Provenanceds")
1422 _value_types.append(
"Provenanced")
1425 HierarchyCounters=list
1426 _plural_types.append(
"HierarchyCounters")
1427 _value_types.append(
"HierarchyCounter")
1430 HierarchyTraitsList=list
1431 _plural_types.append(
"HierarchyTraitsList")
1432 _value_types.append(
"HierarchyTraits")
1435 _object_types.append(
"TruncatedHarmonicBound")
1438 def _object_cast_to_TruncatedHarmonicBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1442 _object_types.append(
"TruncatedHarmonicLowerBound")
1445 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1449 _object_types.append(
"TruncatedHarmonicUpperBound")
1452 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1453 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1454 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1456 _object_types.append(
"HarmonicDistancePairScore")
1459 def _object_cast_to_HarmonicDistancePairScore(o):
1460 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1461 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1463 _object_types.append(
"DistancePairScore")
1466 def _object_cast_to_DistancePairScore(o):
1467 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1468 return _IMP_core._object_cast_to_DistancePairScore(o)
1470 _object_types.append(
"XYZRGeometry")
1473 def _object_cast_to_XYZRGeometry(o):
1474 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1475 return _IMP_core._object_cast_to_XYZRGeometry(o)
1477 _object_types.append(
"XYZRsGeometry")
1480 def _object_cast_to_XYZRsGeometry(o):
1481 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1482 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1484 _object_types.append(
"XYZDerivativeGeometry")
1487 def _object_cast_to_XYZDerivativeGeometry(o):
1488 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1491 _object_types.append(
"XYZDerivativesGeometry")
1494 def _object_cast_to_XYZDerivativesGeometry(o):
1495 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativeGeometry")
1501 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1505 _object_types.append(
"RigidBodyDerivativesGeometry")
1508 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1509 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1512 _object_types.append(
"RigidBodyHierarchyGeometry")
1515 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1516 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1519 _object_types.append(
"RigidBodyFrameGeometry")
1522 def _object_cast_to_RigidBodyFrameGeometry(o):
1523 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1526 _object_types.append(
"RigidBodyFramesGeometry")
1529 def _object_cast_to_RigidBodyFramesGeometry(o):
1530 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1531 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1533 _object_types.append(
"RigidBodyTorque")
1536 def _object_cast_to_RigidBodyTorque(o):
1537 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1538 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1540 _object_types.append(
"EdgePairGeometry")
1543 def _object_cast_to_EdgePairGeometry(o):
1544 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1547 _object_types.append(
"EdgePairsGeometry")
1550 def _object_cast_to_EdgePairsGeometry(o):
1551 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1552 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1554 _object_types.append(
"SurfaceGeometry")
1557 def _object_cast_to_SurfaceGeometry(o):
1558 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1559 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1561 _object_types.append(
"SurfaceGeometryConstraint")
1564 def _object_cast_to_SurfaceGeometryConstraint(o):
1565 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1566 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1568 _object_types.append(
"AttributeSingletonPredicate")
1571 def _object_cast_to_AttributeSingletonPredicate(o):
1572 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1573 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1575 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1578 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1579 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1580 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1582 _object_types.append(
"IsCollisionPairPredicate")
1585 def _object_cast_to_IsCollisionPairPredicate(o):
1586 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1587 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1589 BinormalTermList=list
1590 _plural_types.append(
"BinormalTermList")
1591 _value_types.append(
"BinormalTerm")
1594 _object_types.append(
"MultipleBinormalRestraint")
1597 def _object_cast_to_MultipleBinormalRestraint(o):
1598 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1599 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1600 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1601 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1605 def __init__(self, *args, **kwargs):
1606 raise AttributeError(
"No constructor defined - class is abstract")
1607 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1609 def get_close_pairs(self, *args):
1611 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1612 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1613 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1614 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1616 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1618 def set_distance(self, d):
1619 r"""set_distance(ClosePairsFinder self, double d)"""
1620 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1623 r"""get_distance(ClosePairsFinder self) -> double"""
1624 return _IMP_core.ClosePairsFinder_get_distance(self)
1625 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
1626 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1627 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1628 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1630 def remove_pair_filter(self, d):
1631 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1632 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1634 def _python_index_pair_filter(self, d, start, stop):
1635 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1636 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1638 def remove_pair_filters(self, d):
1639 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1640 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1642 def set_pair_filters(self, ps):
1643 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1644 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1646 def set_pair_filters_order(self, objs):
1647 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1648 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1650 def add_pair_filter(self, obj):
1651 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1652 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1654 def add_pair_filters(self, objs):
1655 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1656 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1658 def clear_pair_filters(self):
1659 r"""clear_pair_filters(ClosePairsFinder self)"""
1660 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1662 def get_number_of_pair_filters(self):
1663 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1664 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1666 def get_has_pair_filters(self):
1667 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1668 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1670 def get_pair_filter(self, i):
1671 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1672 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1674 def get_pair_filters(self):
1675 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1676 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1678 def erase_pair_filter(self, i):
1679 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1680 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1682 def reserve_pair_filters(self, sz):
1683 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1684 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1687 r"""__str__(ClosePairsFinder self) -> std::string"""
1688 return _IMP_core.ClosePairsFinder___str__(self)
1691 r"""__repr__(ClosePairsFinder self) -> std::string"""
1692 return _IMP_core.ClosePairsFinder___repr__(self)
1696 return _object_cast_to_ClosePairsFinder(o)
1700 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1701 class MonteCarloMoverResult(IMP._Value):
1702 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1706 def __init__(self, *args):
1707 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1708 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1711 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1712 return _IMP_core.MonteCarloMoverResult___hash__(self)
1714 def show(self, *args):
1715 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1716 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1718 def __cmp__(self, o):
1719 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1720 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1722 def __eq__(self, o):
1723 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1724 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1726 def __ne__(self, o):
1727 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1728 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1730 def __lt__(self, o):
1731 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1732 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1734 def __gt__(self, o):
1735 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1736 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1738 def __ge__(self, o):
1739 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1740 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1742 def __le__(self, o):
1743 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1744 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1746 def get_moved_particles(self):
1747 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1748 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1750 def set_moved_particles(self, v):
1751 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1752 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1754 def get_proposal_ratio(self):
1755 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1756 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1758 def set_proposal_ratio(self, v):
1759 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1760 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1763 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1764 return _IMP_core.MonteCarloMoverResult___str__(self)
1767 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1768 return _IMP_core.MonteCarloMoverResult___repr__(self)
1769 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1772 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1774 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1778 def __init__(self, *args):
1780 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1781 __init__(MonteCarloMover self) -> MonteCarloMover
1783 if self.__class__ == MonteCarloMover:
1787 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1789 if self.__class__ != MonteCarloMover:
1790 _director_objects.register(self)
1796 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1797 return _IMP_core.MonteCarloMover_propose(self)
1800 r"""reject(MonteCarloMover self)"""
1801 return _IMP_core.MonteCarloMover_reject(self)
1804 r"""accept(MonteCarloMover self)"""
1805 return _IMP_core.MonteCarloMover_accept(self)
1807 def get_number_of_proposed(self):
1808 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1809 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1811 def get_number_of_accepted(self):
1812 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1813 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1815 def reset_statistics(self):
1816 r"""reset_statistics(MonteCarloMover self)"""
1817 return _IMP_core.MonteCarloMover_reset_statistics(self)
1819 def add_to_statistics(self, num_proposed, num_rejected):
1820 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1821 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1823 def do_propose(self):
1824 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1825 return _IMP_core.MonteCarloMover_do_propose(self)
1827 def do_reject(self):
1828 r"""do_reject(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_reject(self)
1831 def do_accept(self):
1832 r"""do_accept(MonteCarloMover self)"""
1833 return _IMP_core.MonteCarloMover_do_accept(self)
1835 def do_get_outputs(self):
1836 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1837 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1840 r"""__str__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___str__(self)
1844 r"""__repr__(MonteCarloMover self) -> std::string"""
1845 return _IMP_core.MonteCarloMover___repr__(self)
1849 return _object_cast_to_MonteCarloMover(o)
1852 def do_show(self, out):
1857 return _object_cast_to_MonteCarloMover(o)
1861 """Return a JAX implementation of this mover.
1862 Implement this method in a MonteCarloMover subclass to provide
1863 equivalent functionality using [JAX](https://docs.jax.dev/).
1864 See _wrap_jax for more information.
1866 raise NotImplementedError(f
"No JAX implementation for {self}")
1868 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1869 sync_func=
None, keys=
None):
1870 """Create the return value for _get_jax.
1871 Use this method in _get_jax() to wrap the JAX functions
1872 with other mover-specific information.
1874 @param init_func a JAX function which is used to initialize this
1875 mover. It is called with a single argument, a fresh JAX
1876 random key, and should return a persistent state object.
1877 This object may be the key itself, or any other Python object
1878 that JAX understands.
1879 @param propose_func a JAX function which is called with the current
1880 JAX Model and the mover's persistent state object.
1881 It should return a new JAX Model with the move applied,
1882 a new persistent state, and the proposal ratio. If the move
1883 is rejected then the new JAX Model will be discarded.
1884 However, the mover's persistent state is updated for both
1885 accepted and rejected moves.
1886 @param accept_func if provided, a JAX function which is called
1887 after each accepted Monte Carlo move, with the persistent
1888 state object. It should return a new persistent state.
1889 @param sync_func If provided, a Python function which is called
1890 at the end of a Monte Carlo sampling run to sync mover
1891 data back to IMP. It is called with the persistent state
1892 and the IMP Mover object.
1893 @param keys If given, a set of IMP::Key objects describing Model
1894 attributes (other than xyz and radius) that are altered
1897 from IMP.core._jax_util
import JAXMoverInfo
1898 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1901 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1902 def __disown__(self):
1904 _IMP_core.disown_MonteCarloMover(self)
1905 return weakref.proxy(self)
1907 def do_destroy(self):
1908 r"""do_destroy(MonteCarloMover self)"""
1909 return _IMP_core.MonteCarloMover_do_destroy(self)
1911 def handle_set_has_required_score_states(self, arg0):
1912 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1913 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1915 def do_get_inputs(self):
1916 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1917 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1919 def do_get_interactions(self):
1920 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1921 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1924 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1926 r"""Proxy of C++ IMP::core::XYZ class."""
1928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1931 def get_coordinate_key(i):
1932 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1933 return _IMP_core.XYZ_get_coordinate_key(i)
1935 def __init__(self, *args):
1937 __init__(XYZ self) -> XYZ
1938 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1939 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1941 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1943 def show(self, *args):
1944 r"""show(XYZ self, _ostream out=std::cout)"""
1945 return _IMP_core.XYZ_show(self, *args)
1948 def setup_particle(*args):
1950 setup_particle(Model m, ParticleIndex pi) -> XYZ
1951 setup_particle(_ParticleAdaptor pa) -> XYZ
1952 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1953 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1955 return _IMP_core.XYZ_setup_particle(*args)
1958 r"""get_x(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_x(self)
1962 r"""set_x(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_x(self, t)
1966 r"""get_y(XYZ self) -> IMP::Float"""
1967 return _IMP_core.XYZ_get_y(self)
1970 r"""set_y(XYZ self, IMP::Float t)"""
1971 return _IMP_core.XYZ_set_y(self, t)
1974 r"""get_z(XYZ self) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_z(self)
1978 r"""set_z(XYZ self, IMP::Float t)"""
1979 return _IMP_core.XYZ_set_z(self, t)
1981 def set_coordinate(self, i, v):
1982 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1983 return _IMP_core.XYZ_set_coordinate(self, i, v)
1985 def set_coordinates(self, v):
1986 r"""set_coordinates(XYZ self, Vector3D v)"""
1987 return _IMP_core.XYZ_set_coordinates(self, v)
1989 def get_coordinate(self, i):
1990 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1991 return _IMP_core.XYZ_get_coordinate(self, i)
1993 def add_to_derivatives(self, v, d):
1994 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1995 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1997 def get_coordinates_are_optimized(self):
1998 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1999 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
2001 def set_coordinates_are_optimized(self, tf):
2002 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
2003 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2005 def get_vector_to(self, b):
2006 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2007 return _IMP_core.XYZ_get_vector_to(self, b)
2009 def get_coordinates(self):
2010 r"""get_coordinates(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_coordinates(self)
2013 def get_derivatives(self):
2014 r"""get_derivatives(XYZ self) -> Vector3D"""
2015 return _IMP_core.XYZ_get_derivatives(self)
2018 def get_is_setup(*args):
2020 get_is_setup(_ParticleAdaptor p) -> bool
2021 get_is_setup(Model m, ParticleIndex pi) -> bool
2023 return _IMP_core.XYZ_get_is_setup(*args)
2027 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2028 return _IMP_core.XYZ_get_xyz_keys()
2030 def add_attribute(self, *args):
2032 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2033 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2034 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2035 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2036 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2037 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2038 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2039 add_attribute(XYZ self, ObjectKey a0, Object a1)
2040 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2041 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2042 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2043 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2045 return _IMP_core.XYZ_add_attribute(self, *args)
2047 def get_value(self, *args):
2049 get_value(XYZ self, FloatKey a0) -> IMP::Float
2050 get_value(XYZ self, IntKey a0) -> IMP::Int
2051 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2052 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2053 get_value(XYZ self, StringKey a0) -> IMP::String
2054 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2055 get_value(XYZ self, ObjectKey a0) -> Object
2056 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2057 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2058 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2059 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2061 return _IMP_core.XYZ_get_value(self, *args)
2063 def set_value(self, *args):
2065 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2066 set_value(XYZ self, IntKey a0, IMP::Int a1)
2067 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2068 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2069 set_value(XYZ self, StringKey a0, IMP::String a1)
2070 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2071 set_value(XYZ self, ObjectKey a0, Object a1)
2072 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2073 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2074 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2075 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2077 return _IMP_core.XYZ_set_value(self, *args)
2079 def remove_attribute(self, *args):
2081 remove_attribute(XYZ self, FloatKey a0)
2082 remove_attribute(XYZ self, IntKey a0)
2083 remove_attribute(XYZ self, FloatsKey a0)
2084 remove_attribute(XYZ self, IntsKey a0)
2085 remove_attribute(XYZ self, StringKey a0)
2086 remove_attribute(XYZ self, ParticleIndexKey a0)
2087 remove_attribute(XYZ self, ObjectKey a0)
2088 remove_attribute(XYZ self, SparseFloatKey a0)
2089 remove_attribute(XYZ self, SparseIntKey a0)
2090 remove_attribute(XYZ self, SparseStringKey a0)
2091 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2093 return _IMP_core.XYZ_remove_attribute(self, *args)
2095 def has_attribute(self, *args):
2097 has_attribute(XYZ self, FloatKey a0) -> bool
2098 has_attribute(XYZ self, IntKey a0) -> bool
2099 has_attribute(XYZ self, FloatsKey a0) -> bool
2100 has_attribute(XYZ self, IntsKey a0) -> bool
2101 has_attribute(XYZ self, StringKey a0) -> bool
2102 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2103 has_attribute(XYZ self, ObjectKey a0) -> bool
2104 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2105 has_attribute(XYZ self, SparseIntKey a0) -> bool
2106 has_attribute(XYZ self, SparseStringKey a0) -> bool
2107 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2109 return _IMP_core.XYZ_has_attribute(self, *args)
2111 def get_derivative(self, *args):
2113 get_derivative(XYZ self, int i) -> IMP::Float
2114 get_derivative(XYZ self, FloatKey a0) -> double
2116 return _IMP_core.XYZ_get_derivative(self, *args)
2119 r"""get_name(XYZ self) -> std::string"""
2120 return _IMP_core.XYZ_get_name(self)
2122 def clear_caches(self):
2123 r"""clear_caches(XYZ self)"""
2124 return _IMP_core.XYZ_clear_caches(self)
2126 def set_name(self, a0):
2127 r"""set_name(XYZ self, std::string a0)"""
2128 return _IMP_core.XYZ_set_name(self, a0)
2131 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2132 return _IMP_core.XYZ_set_check_level(self, a0)
2134 def add_to_derivative(self, *args):
2136 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2137 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2139 return _IMP_core.XYZ_add_to_derivative(self, *args)
2141 def set_is_optimized(self, a0, a1):
2142 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2143 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2145 def get_is_optimized(self, a0):
2146 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2147 return _IMP_core.XYZ_get_is_optimized(self, a0)
2150 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2151 return _IMP_core.XYZ_get_check_level(self)
2153 def __eq__(self, *args):
2155 __eq__(XYZ self, XYZ o) -> bool
2156 __eq__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___eq__(self, *args)
2160 def __ne__(self, *args):
2162 __ne__(XYZ self, XYZ o) -> bool
2163 __ne__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___ne__(self, *args)
2167 def __le__(self, *args):
2169 __le__(XYZ self, XYZ o) -> bool
2170 __le__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___le__(self, *args)
2174 def __lt__(self, *args):
2176 __lt__(XYZ self, XYZ o) -> bool
2177 __lt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___lt__(self, *args)
2181 def __ge__(self, *args):
2183 __ge__(XYZ self, XYZ o) -> bool
2184 __ge__(XYZ self, Particle d) -> bool
2186 return _IMP_core.XYZ___ge__(self, *args)
2188 def __gt__(self, *args):
2190 __gt__(XYZ self, XYZ o) -> bool
2191 __gt__(XYZ self, Particle d) -> bool
2193 return _IMP_core.XYZ___gt__(self, *args)
2196 r"""__hash__(XYZ self) -> std::size_t"""
2197 return _IMP_core.XYZ___hash__(self)
2200 r"""__str__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___str__(self)
2204 r"""__repr__(XYZ self) -> std::string"""
2205 return _IMP_core.XYZ___repr__(self)
2207 def _get_as_binary(self):
2208 r"""_get_as_binary(XYZ self) -> PyObject *"""
2209 return _IMP_core.XYZ__get_as_binary(self)
2211 def _set_from_binary(self, p):
2212 r"""_set_from_binary(XYZ self, PyObject * p)"""
2213 return _IMP_core.XYZ__set_from_binary(self, p)
2215 def __getstate__(self):
2216 p = self._get_as_binary()
2217 if len(self.__dict__) > 1:
2218 d = self.__dict__.copy()
2223 def __setstate__(self, p):
2224 if not hasattr(self,
'this'):
2226 if isinstance(p, tuple):
2228 self.__dict__.update(d)
2229 return self._set_from_binary(p)
2231 __swig_destroy__ = _IMP_core.delete_XYZ
2234 _IMP_core.XYZ_swigregister(XYZ)
2237 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2238 return _IMP_core.set_vector_geometry(d, v)
2241 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2242 return _IMP_core.get_vector_geometry(d)
2245 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2246 return _IMP_core.get_dihedral(a, b, c, d)
2248 r"""Proxy of C++ IMP::core::XYZR class."""
2250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2252 def __init__(self, *args):
2254 __init__(XYZR self) -> XYZR
2255 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2256 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2258 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2260 def show(self, *args):
2261 r"""show(XYZR self, _ostream out=std::cout)"""
2262 return _IMP_core.XYZR_show(self, *args)
2265 def setup_particle(*args):
2267 setup_particle(Model m, ParticleIndex pi) -> XYZR
2268 setup_particle(_ParticleAdaptor pa) -> XYZR
2269 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2270 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2271 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2272 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2274 return _IMP_core.XYZR_setup_particle(*args)
2277 def get_is_setup(*args):
2279 get_is_setup(_ParticleAdaptor p) -> bool
2280 get_is_setup(Model m, ParticleIndex pi) -> bool
2282 return _IMP_core.XYZR_get_is_setup(*args)
2284 def get_radius(self):
2285 r"""get_radius(XYZR self) -> double"""
2286 return _IMP_core.XYZR_get_radius(self)
2288 def set_radius(self, r):
2289 r"""set_radius(XYZR self, double r)"""
2290 return _IMP_core.XYZR_set_radius(self, r)
2292 def get_sphere(self):
2293 r"""get_sphere(XYZR self) -> Sphere3D"""
2294 return _IMP_core.XYZR_get_sphere(self)
2296 def set_sphere(self, s):
2297 r"""set_sphere(XYZR self, Sphere3D s)"""
2298 return _IMP_core.XYZR_set_sphere(self, s)
2301 def get_radius_key():
2302 r"""get_radius_key() -> FloatKey"""
2303 return _IMP_core.XYZR_get_radius_key()
2305 def add_to_radius_derivative(self, v, d):
2306 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2307 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2309 def add_attribute(self, *args):
2311 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2312 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2313 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2314 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2315 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2316 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2317 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2318 add_attribute(XYZR self, ObjectKey a0, Object a1)
2319 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2320 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2321 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2322 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2324 return _IMP_core.XYZR_add_attribute(self, *args)
2326 def get_value(self, *args):
2328 get_value(XYZR self, FloatKey a0) -> IMP::Float
2329 get_value(XYZR self, IntKey a0) -> IMP::Int
2330 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2331 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2332 get_value(XYZR self, StringKey a0) -> IMP::String
2333 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2334 get_value(XYZR self, ObjectKey a0) -> Object
2335 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2336 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2337 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2338 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2340 return _IMP_core.XYZR_get_value(self, *args)
2342 def set_value(self, *args):
2344 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2345 set_value(XYZR self, IntKey a0, IMP::Int a1)
2346 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2347 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2348 set_value(XYZR self, StringKey a0, IMP::String a1)
2349 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2350 set_value(XYZR self, ObjectKey a0, Object a1)
2351 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2352 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2353 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2354 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2356 return _IMP_core.XYZR_set_value(self, *args)
2358 def remove_attribute(self, *args):
2360 remove_attribute(XYZR self, FloatKey a0)
2361 remove_attribute(XYZR self, IntKey a0)
2362 remove_attribute(XYZR self, FloatsKey a0)
2363 remove_attribute(XYZR self, IntsKey a0)
2364 remove_attribute(XYZR self, StringKey a0)
2365 remove_attribute(XYZR self, ParticleIndexKey a0)
2366 remove_attribute(XYZR self, ObjectKey a0)
2367 remove_attribute(XYZR self, SparseFloatKey a0)
2368 remove_attribute(XYZR self, SparseIntKey a0)
2369 remove_attribute(XYZR self, SparseStringKey a0)
2370 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2372 return _IMP_core.XYZR_remove_attribute(self, *args)
2374 def has_attribute(self, *args):
2376 has_attribute(XYZR self, FloatKey a0) -> bool
2377 has_attribute(XYZR self, IntKey a0) -> bool
2378 has_attribute(XYZR self, FloatsKey a0) -> bool
2379 has_attribute(XYZR self, IntsKey a0) -> bool
2380 has_attribute(XYZR self, StringKey a0) -> bool
2381 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2382 has_attribute(XYZR self, ObjectKey a0) -> bool
2383 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2384 has_attribute(XYZR self, SparseIntKey a0) -> bool
2385 has_attribute(XYZR self, SparseStringKey a0) -> bool
2386 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2388 return _IMP_core.XYZR_has_attribute(self, *args)
2390 def get_derivative(self, a0):
2391 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2392 return _IMP_core.XYZR_get_derivative(self, a0)
2395 r"""get_name(XYZR self) -> std::string"""
2396 return _IMP_core.XYZR_get_name(self)
2398 def clear_caches(self):
2399 r"""clear_caches(XYZR self)"""
2400 return _IMP_core.XYZR_clear_caches(self)
2402 def set_name(self, a0):
2403 r"""set_name(XYZR self, std::string a0)"""
2404 return _IMP_core.XYZR_set_name(self, a0)
2407 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2408 return _IMP_core.XYZR_set_check_level(self, a0)
2410 def add_to_derivative(self, a0, a1, a2):
2411 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2412 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2414 def set_is_optimized(self, a0, a1):
2415 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2416 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2418 def get_is_optimized(self, a0):
2419 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2420 return _IMP_core.XYZR_get_is_optimized(self, a0)
2423 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2424 return _IMP_core.XYZR_get_check_level(self)
2426 def __eq__(self, *args):
2428 __eq__(XYZR self, XYZR o) -> bool
2429 __eq__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___eq__(self, *args)
2433 def __ne__(self, *args):
2435 __ne__(XYZR self, XYZR o) -> bool
2436 __ne__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___ne__(self, *args)
2440 def __le__(self, *args):
2442 __le__(XYZR self, XYZR o) -> bool
2443 __le__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___le__(self, *args)
2447 def __lt__(self, *args):
2449 __lt__(XYZR self, XYZR o) -> bool
2450 __lt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___lt__(self, *args)
2454 def __ge__(self, *args):
2456 __ge__(XYZR self, XYZR o) -> bool
2457 __ge__(XYZR self, Particle d) -> bool
2459 return _IMP_core.XYZR___ge__(self, *args)
2461 def __gt__(self, *args):
2463 __gt__(XYZR self, XYZR o) -> bool
2464 __gt__(XYZR self, Particle d) -> bool
2466 return _IMP_core.XYZR___gt__(self, *args)
2469 r"""__hash__(XYZR self) -> std::size_t"""
2470 return _IMP_core.XYZR___hash__(self)
2473 r"""__str__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___str__(self)
2477 r"""__repr__(XYZR self) -> std::string"""
2478 return _IMP_core.XYZR___repr__(self)
2480 def _get_as_binary(self):
2481 r"""_get_as_binary(XYZR self) -> PyObject *"""
2482 return _IMP_core.XYZR__get_as_binary(self)
2484 def _set_from_binary(self, p):
2485 r"""_set_from_binary(XYZR self, PyObject * p)"""
2486 return _IMP_core.XYZR__set_from_binary(self, p)
2488 def __getstate__(self):
2489 p = self._get_as_binary()
2490 if len(self.__dict__) > 1:
2491 d = self.__dict__.copy()
2496 def __setstate__(self, p):
2497 if not hasattr(self,
'this'):
2499 if isinstance(p, tuple):
2501 self.__dict__.update(d)
2502 return self._set_from_binary(p)
2504 __swig_destroy__ = _IMP_core.delete_XYZR
2507 _IMP_core.XYZR_swigregister(XYZR)
2510 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2511 return _IMP_core.set_enclosing_sphere(b, v, slack)
2514 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2515 return _IMP_core.set_enclosing_radius(b, v)
2518 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2519 return _IMP_core.get_enclosing_sphere(v)
2522 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2523 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2525 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2529 def __init__(self, *args):
2531 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2532 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2534 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2536 def get_version_info(self):
2537 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2538 return _IMP_core.XYZRGeometry_get_version_info(self)
2539 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2542 r"""__str__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___str__(self)
2546 r"""__repr__(XYZRGeometry self) -> std::string"""
2547 return _IMP_core.XYZRGeometry___repr__(self)
2551 return _object_cast_to_XYZRGeometry(o)
2555 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2557 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2561 def __init__(self, sc):
2562 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2563 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2565 def get_version_info(self):
2566 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2567 return _IMP_core.XYZRsGeometry_get_version_info(self)
2568 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2571 r"""__str__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___str__(self)
2575 r"""__repr__(XYZRsGeometry self) -> std::string"""
2576 return _IMP_core.XYZRsGeometry___repr__(self)
2580 return _object_cast_to_XYZRsGeometry(o)
2584 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2586 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2590 def __init__(self, *args):
2592 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2593 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2595 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2597 def get_version_info(self):
2598 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2599 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2600 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2603 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___str__(self)
2607 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2608 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2612 return _object_cast_to_XYZDerivativeGeometry(o)
2616 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2618 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2622 def __init__(self, sc):
2623 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2624 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2626 def get_version_info(self):
2627 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2628 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2629 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2632 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___str__(self)
2636 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2637 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2641 return _object_cast_to_XYZDerivativesGeometry(o)
2645 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2647 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2651 def __init__(self, pp):
2652 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2653 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2655 def get_version_info(self):
2656 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2657 return _IMP_core.EdgePairGeometry_get_version_info(self)
2658 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2661 r"""__str__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___str__(self)
2665 r"""__repr__(EdgePairGeometry self) -> std::string"""
2666 return _IMP_core.EdgePairGeometry___repr__(self)
2670 return _object_cast_to_EdgePairGeometry(o)
2674 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2676 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2680 def __init__(self, sc):
2681 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2682 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2684 def get_version_info(self):
2685 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2686 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2687 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2690 r"""__str__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___str__(self)
2694 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2695 return _IMP_core.EdgePairsGeometry___repr__(self)
2699 return _object_cast_to_EdgePairsGeometry(o)
2703 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2705 r"""Proxy of C++ IMP::core::Direction class."""
2707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2710 def do_setup_particle(m, pi, v):
2711 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2712 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2714 def __init__(self, *args):
2716 __init__(Direction self) -> Direction
2717 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2718 __init__(Direction self, _ParticleAdaptor d) -> Direction
2720 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2722 def show(self, *args):
2723 r"""show(Direction self, _ostream out=std::cout)"""
2724 return _IMP_core.Direction_show(self, *args)
2727 def setup_particle(*args):
2729 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2730 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2732 return _IMP_core.Direction_setup_particle(*args)
2735 def get_is_setup(*args):
2737 get_is_setup(_ParticleAdaptor p) -> bool
2738 get_is_setup(Model m, ParticleIndex pi) -> bool
2740 return _IMP_core.Direction_get_is_setup(*args)
2743 def get_direction_key(i):
2744 r"""get_direction_key(unsigned int i) -> FloatKey"""
2745 return _IMP_core.Direction_get_direction_key(i)
2747 def get_direction_derivative(self, i):
2748 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2749 return _IMP_core.Direction_get_direction_derivative(self, i)
2751 def get_direction_derivatives(self):
2752 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2753 return _IMP_core.Direction_get_direction_derivatives(self)
2755 def add_to_direction_derivative(self, i, v, d):
2756 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2759 def add_to_direction_derivatives(self, v, d):
2760 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2761 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2763 def get_direction_is_optimized(self):
2764 r"""get_direction_is_optimized(Direction self) -> bool"""
2765 return _IMP_core.Direction_get_direction_is_optimized(self)
2767 def set_direction_is_optimized(self, tf):
2768 r"""set_direction_is_optimized(Direction self, bool tf)"""
2769 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2771 def get_direction(self):
2772 r"""get_direction(Direction self) -> Vector3D"""
2773 return _IMP_core.Direction_get_direction(self)
2775 def set_direction(self, v):
2776 r"""set_direction(Direction self, Vector3D v)"""
2777 return _IMP_core.Direction_set_direction(self, v)
2780 r"""reflect(Direction self)"""
2781 return _IMP_core.Direction_reflect(self)
2783 def add_attribute(self, *args):
2785 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2786 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2787 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2788 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2789 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2790 add_attribute(Direction self, StringKey a0, IMP::String a1)
2791 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2792 add_attribute(Direction self, ObjectKey a0, Object a1)
2793 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2794 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2795 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2796 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2798 return _IMP_core.Direction_add_attribute(self, *args)
2800 def get_value(self, *args):
2802 get_value(Direction self, FloatKey a0) -> IMP::Float
2803 get_value(Direction self, IntKey a0) -> IMP::Int
2804 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2805 get_value(Direction self, IntsKey a0) -> IMP::Ints
2806 get_value(Direction self, StringKey a0) -> IMP::String
2807 get_value(Direction self, ParticleIndexKey a0) -> Particle
2808 get_value(Direction self, ObjectKey a0) -> Object
2809 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2810 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2811 get_value(Direction self, SparseStringKey a0) -> IMP::String
2812 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2814 return _IMP_core.Direction_get_value(self, *args)
2816 def set_value(self, *args):
2818 set_value(Direction self, FloatKey a0, IMP::Float a1)
2819 set_value(Direction self, IntKey a0, IMP::Int a1)
2820 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2821 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2822 set_value(Direction self, StringKey a0, IMP::String a1)
2823 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2824 set_value(Direction self, ObjectKey a0, Object a1)
2825 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2826 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2827 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2828 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2830 return _IMP_core.Direction_set_value(self, *args)
2832 def remove_attribute(self, *args):
2834 remove_attribute(Direction self, FloatKey a0)
2835 remove_attribute(Direction self, IntKey a0)
2836 remove_attribute(Direction self, FloatsKey a0)
2837 remove_attribute(Direction self, IntsKey a0)
2838 remove_attribute(Direction self, StringKey a0)
2839 remove_attribute(Direction self, ParticleIndexKey a0)
2840 remove_attribute(Direction self, ObjectKey a0)
2841 remove_attribute(Direction self, SparseFloatKey a0)
2842 remove_attribute(Direction self, SparseIntKey a0)
2843 remove_attribute(Direction self, SparseStringKey a0)
2844 remove_attribute(Direction self, SparseParticleIndexKey a0)
2846 return _IMP_core.Direction_remove_attribute(self, *args)
2848 def has_attribute(self, *args):
2850 has_attribute(Direction self, FloatKey a0) -> bool
2851 has_attribute(Direction self, IntKey a0) -> bool
2852 has_attribute(Direction self, FloatsKey a0) -> bool
2853 has_attribute(Direction self, IntsKey a0) -> bool
2854 has_attribute(Direction self, StringKey a0) -> bool
2855 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2856 has_attribute(Direction self, ObjectKey a0) -> bool
2857 has_attribute(Direction self, SparseFloatKey a0) -> bool
2858 has_attribute(Direction self, SparseIntKey a0) -> bool
2859 has_attribute(Direction self, SparseStringKey a0) -> bool
2860 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2862 return _IMP_core.Direction_has_attribute(self, *args)
2864 def get_derivative(self, a0):
2865 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2866 return _IMP_core.Direction_get_derivative(self, a0)
2869 r"""get_name(Direction self) -> std::string"""
2870 return _IMP_core.Direction_get_name(self)
2872 def clear_caches(self):
2873 r"""clear_caches(Direction self)"""
2874 return _IMP_core.Direction_clear_caches(self)
2876 def set_name(self, a0):
2877 r"""set_name(Direction self, std::string a0)"""
2878 return _IMP_core.Direction_set_name(self, a0)
2881 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2882 return _IMP_core.Direction_set_check_level(self, a0)
2884 def add_to_derivative(self, a0, a1, a2):
2885 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2886 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2888 def set_is_optimized(self, a0, a1):
2889 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2890 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2892 def get_is_optimized(self, a0):
2893 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2894 return _IMP_core.Direction_get_is_optimized(self, a0)
2897 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2898 return _IMP_core.Direction_get_check_level(self)
2900 def __eq__(self, *args):
2902 __eq__(Direction self, Direction o) -> bool
2903 __eq__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___eq__(self, *args)
2907 def __ne__(self, *args):
2909 __ne__(Direction self, Direction o) -> bool
2910 __ne__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___ne__(self, *args)
2914 def __le__(self, *args):
2916 __le__(Direction self, Direction o) -> bool
2917 __le__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___le__(self, *args)
2921 def __lt__(self, *args):
2923 __lt__(Direction self, Direction o) -> bool
2924 __lt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___lt__(self, *args)
2928 def __ge__(self, *args):
2930 __ge__(Direction self, Direction o) -> bool
2931 __ge__(Direction self, Particle d) -> bool
2933 return _IMP_core.Direction___ge__(self, *args)
2935 def __gt__(self, *args):
2937 __gt__(Direction self, Direction o) -> bool
2938 __gt__(Direction self, Particle d) -> bool
2940 return _IMP_core.Direction___gt__(self, *args)
2943 r"""__hash__(Direction self) -> std::size_t"""
2944 return _IMP_core.Direction___hash__(self)
2947 r"""__str__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___str__(self)
2951 r"""__repr__(Direction self) -> std::string"""
2952 return _IMP_core.Direction___repr__(self)
2954 def _get_as_binary(self):
2955 r"""_get_as_binary(Direction self) -> PyObject *"""
2956 return _IMP_core.Direction__get_as_binary(self)
2958 def _set_from_binary(self, p):
2959 r"""_set_from_binary(Direction self, PyObject * p)"""
2960 return _IMP_core.Direction__set_from_binary(self, p)
2962 def __getstate__(self):
2963 p = self._get_as_binary()
2964 if len(self.__dict__) > 1:
2965 d = self.__dict__.copy()
2970 def __setstate__(self, p):
2971 if not hasattr(self,
'this'):
2973 if isinstance(p, tuple):
2975 self.__dict__.update(d)
2976 return self._set_from_binary(p)
2978 __swig_destroy__ = _IMP_core.delete_Direction
2981 _IMP_core.Direction_swigregister(Direction)
2984 r"""get_angle(Direction a, Direction b) -> double"""
2985 return _IMP_core.get_angle(a, b)
2987 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2991 def __init__(self, *args):
2993 __init__(DirectionAngle self) -> DirectionAngle
2994 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2995 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2997 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2999 def show(self, *args):
3000 r"""show(DirectionAngle self, _ostream out=std::cout)"""
3001 return _IMP_core.DirectionAngle_show(self, *args)
3004 def setup_particle(*args):
3006 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3007 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3008 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3009 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3011 return _IMP_core.DirectionAngle_setup_particle(*args)
3014 def get_is_setup(*args):
3016 get_is_setup(_ParticleAdaptor p) -> bool
3017 get_is_setup(Model m, ParticleIndex pi) -> bool
3019 return _IMP_core.DirectionAngle_get_is_setup(*args)
3022 def get_angle_key():
3023 r"""get_angle_key() -> FloatKey"""
3024 return _IMP_core.DirectionAngle_get_angle_key()
3027 def get_particle_key(i):
3028 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3029 return _IMP_core.DirectionAngle_get_particle_key(i)
3031 def get_particle(self, *args):
3033 get_particle(DirectionAngle self, unsigned int i) -> Particle
3034 get_particle(DirectionAngle self) -> Particle
3036 return _IMP_core.DirectionAngle_get_particle(self, *args)
3038 def get_particle_index(self, *args):
3040 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3041 get_particle_index(DirectionAngle self) -> ParticleIndex
3043 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3046 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle(self)
3049 def get_angle_derivative(self):
3050 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3051 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3053 def add_to_angle_derivative(self, v, d):
3054 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3055 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3057 def add_attribute(self, *args):
3059 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3060 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3061 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3062 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3063 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3064 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3065 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3066 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3067 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3068 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3069 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3070 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3072 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3074 def get_value(self, *args):
3076 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3077 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3078 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3079 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3080 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3081 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3082 get_value(DirectionAngle self, ObjectKey a0) -> Object
3083 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3084 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3085 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3086 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3088 return _IMP_core.DirectionAngle_get_value(self, *args)
3090 def set_value(self, *args):
3092 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3093 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3094 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3095 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3096 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3097 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3098 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3099 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3100 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3101 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3102 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3104 return _IMP_core.DirectionAngle_set_value(self, *args)
3106 def remove_attribute(self, *args):
3108 remove_attribute(DirectionAngle self, FloatKey a0)
3109 remove_attribute(DirectionAngle self, IntKey a0)
3110 remove_attribute(DirectionAngle self, FloatsKey a0)
3111 remove_attribute(DirectionAngle self, IntsKey a0)
3112 remove_attribute(DirectionAngle self, StringKey a0)
3113 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3114 remove_attribute(DirectionAngle self, ObjectKey a0)
3115 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3116 remove_attribute(DirectionAngle self, SparseIntKey a0)
3117 remove_attribute(DirectionAngle self, SparseStringKey a0)
3118 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3120 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3122 def has_attribute(self, *args):
3124 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3125 has_attribute(DirectionAngle self, IntKey a0) -> bool
3126 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3127 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3128 has_attribute(DirectionAngle self, StringKey a0) -> bool
3129 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3130 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3131 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3132 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3133 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3134 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3136 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3138 def get_derivative(self, a0):
3139 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3140 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3143 r"""get_name(DirectionAngle self) -> std::string"""
3144 return _IMP_core.DirectionAngle_get_name(self)
3146 def clear_caches(self):
3147 r"""clear_caches(DirectionAngle self)"""
3148 return _IMP_core.DirectionAngle_clear_caches(self)
3150 def set_name(self, a0):
3151 r"""set_name(DirectionAngle self, std::string a0)"""
3152 return _IMP_core.DirectionAngle_set_name(self, a0)
3155 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3156 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3158 def add_to_derivative(self, a0, a1, a2):
3159 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3160 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3162 def set_is_optimized(self, a0, a1):
3163 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3164 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3166 def get_is_optimized(self, a0):
3167 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3168 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3171 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3172 return _IMP_core.DirectionAngle_get_check_level(self)
3174 def __eq__(self, *args):
3176 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3177 __eq__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___eq__(self, *args)
3181 def __ne__(self, *args):
3183 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3184 __ne__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___ne__(self, *args)
3188 def __le__(self, *args):
3190 __le__(DirectionAngle self, DirectionAngle o) -> bool
3191 __le__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___le__(self, *args)
3195 def __lt__(self, *args):
3197 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __lt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___lt__(self, *args)
3202 def __ge__(self, *args):
3204 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3205 __ge__(DirectionAngle self, Particle d) -> bool
3207 return _IMP_core.DirectionAngle___ge__(self, *args)
3209 def __gt__(self, *args):
3211 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3212 __gt__(DirectionAngle self, Particle d) -> bool
3214 return _IMP_core.DirectionAngle___gt__(self, *args)
3217 r"""__hash__(DirectionAngle self) -> std::size_t"""
3218 return _IMP_core.DirectionAngle___hash__(self)
3221 r"""__str__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___str__(self)
3225 r"""__repr__(DirectionAngle self) -> std::string"""
3226 return _IMP_core.DirectionAngle___repr__(self)
3228 def _get_as_binary(self):
3229 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3230 return _IMP_core.DirectionAngle__get_as_binary(self)
3232 def _set_from_binary(self, p):
3233 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3234 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3236 def __getstate__(self):
3237 p = self._get_as_binary()
3238 if len(self.__dict__) > 1:
3239 d = self.__dict__.copy()
3244 def __setstate__(self, p):
3245 if not hasattr(self,
'this'):
3247 if isinstance(p, tuple):
3249 self.__dict__.update(d)
3250 return self._set_from_binary(p)
3252 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3255 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3257 r"""Proxy of C++ IMP::core::Surface class."""
3259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3262 def do_setup_particle(*args):
3264 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3265 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3267 return _IMP_core.Surface_do_setup_particle(*args)
3269 def __init__(self, *args):
3271 __init__(Surface self) -> Surface
3272 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3273 __init__(Surface self, _ParticleAdaptor d) -> Surface
3275 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3277 def show(self, *args):
3278 r"""show(Surface self, _ostream out=std::cout)"""
3279 return _IMP_core.Surface_show(self, *args)
3282 def setup_particle(*args):
3284 setup_particle(Model m, ParticleIndex pi) -> Surface
3285 setup_particle(_ParticleAdaptor pa) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3287 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3288 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3289 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3290 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3291 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3293 return _IMP_core.Surface_setup_particle(*args)
3295 def get_normal_x(self):
3296 r"""get_normal_x(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_x(self)
3299 def set_normal_x(self, t):
3300 r"""set_normal_x(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_x(self, t)
3303 def get_normal_y(self):
3304 r"""get_normal_y(Surface self) -> IMP::Float"""
3305 return _IMP_core.Surface_get_normal_y(self)
3307 def set_normal_y(self, t):
3308 r"""set_normal_y(Surface self, IMP::Float t)"""
3309 return _IMP_core.Surface_set_normal_y(self, t)
3311 def get_normal_z(self):
3312 r"""get_normal_z(Surface self) -> IMP::Float"""
3313 return _IMP_core.Surface_get_normal_z(self)
3315 def set_normal_z(self, t):
3316 r"""set_normal_z(Surface self, IMP::Float t)"""
3317 return _IMP_core.Surface_set_normal_z(self, t)
3320 def get_is_setup(*args):
3322 get_is_setup(_ParticleAdaptor p) -> bool
3323 get_is_setup(Model m, ParticleIndex pi) -> bool
3325 return _IMP_core.Surface_get_is_setup(*args)
3328 def get_normal_key(i):
3329 r"""get_normal_key(unsigned int i) -> FloatKey"""
3330 return _IMP_core.Surface_get_normal_key(i)
3332 def get_normal_derivative(self, i):
3333 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3334 return _IMP_core.Surface_get_normal_derivative(self, i)
3336 def get_normal_derivatives(self):
3337 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3338 return _IMP_core.Surface_get_normal_derivatives(self)
3340 def add_to_normal_derivative(self, i, v, d):
3341 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3344 def add_to_normal_derivatives(self, v, d):
3345 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3346 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3348 def get_normal_is_optimized(self):
3349 r"""get_normal_is_optimized(Surface self) -> bool"""
3350 return _IMP_core.Surface_get_normal_is_optimized(self)
3352 def set_normal_is_optimized(self, tf):
3353 r"""set_normal_is_optimized(Surface self, bool tf)"""
3354 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3356 def get_normal(self):
3357 r"""get_normal(Surface self) -> Vector3D"""
3358 return _IMP_core.Surface_get_normal(self)
3360 def set_normal(self, normal):
3361 r"""set_normal(Surface self, Vector3D normal)"""
3362 return _IMP_core.Surface_set_normal(self, normal)
3365 r"""reflect(Surface self)"""
3366 return _IMP_core.Surface_reflect(self)
3369 r"""get_height(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_height(self, v)
3373 r"""get_depth(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_depth(self, v)
3376 def get_distance_to(self, v):
3377 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to(self, v)
3380 def get_distance_to_center(self, v):
3381 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3382 return _IMP_core.Surface_get_distance_to_center(self, v)
3384 def set_reference_frame(self, rf):
3385 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3386 return _IMP_core.Surface_set_reference_frame(self, rf)
3388 def get_reference_frame(self):
3389 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3390 return _IMP_core.Surface_get_reference_frame(self)
3392 def get_plane(self):
3393 r"""get_plane(Surface self) -> Plane3D"""
3394 return _IMP_core.Surface_get_plane(self)
3396 def add_attribute(self, *args):
3398 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3399 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3400 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3401 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3402 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3403 add_attribute(Surface self, StringKey a0, IMP::String a1)
3404 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3405 add_attribute(Surface self, ObjectKey a0, Object a1)
3406 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3407 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3408 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3409 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3411 return _IMP_core.Surface_add_attribute(self, *args)
3413 def get_value(self, *args):
3415 get_value(Surface self, FloatKey a0) -> IMP::Float
3416 get_value(Surface self, IntKey a0) -> IMP::Int
3417 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3418 get_value(Surface self, IntsKey a0) -> IMP::Ints
3419 get_value(Surface self, StringKey a0) -> IMP::String
3420 get_value(Surface self, ParticleIndexKey a0) -> Particle
3421 get_value(Surface self, ObjectKey a0) -> Object
3422 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3423 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3424 get_value(Surface self, SparseStringKey a0) -> IMP::String
3425 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3427 return _IMP_core.Surface_get_value(self, *args)
3429 def set_value(self, *args):
3431 set_value(Surface self, FloatKey a0, IMP::Float a1)
3432 set_value(Surface self, IntKey a0, IMP::Int a1)
3433 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3434 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3435 set_value(Surface self, StringKey a0, IMP::String a1)
3436 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3437 set_value(Surface self, ObjectKey a0, Object a1)
3438 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3439 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3440 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3441 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3443 return _IMP_core.Surface_set_value(self, *args)
3445 def remove_attribute(self, *args):
3447 remove_attribute(Surface self, FloatKey a0)
3448 remove_attribute(Surface self, IntKey a0)
3449 remove_attribute(Surface self, FloatsKey a0)
3450 remove_attribute(Surface self, IntsKey a0)
3451 remove_attribute(Surface self, StringKey a0)
3452 remove_attribute(Surface self, ParticleIndexKey a0)
3453 remove_attribute(Surface self, ObjectKey a0)
3454 remove_attribute(Surface self, SparseFloatKey a0)
3455 remove_attribute(Surface self, SparseIntKey a0)
3456 remove_attribute(Surface self, SparseStringKey a0)
3457 remove_attribute(Surface self, SparseParticleIndexKey a0)
3459 return _IMP_core.Surface_remove_attribute(self, *args)
3461 def has_attribute(self, *args):
3463 has_attribute(Surface self, FloatKey a0) -> bool
3464 has_attribute(Surface self, IntKey a0) -> bool
3465 has_attribute(Surface self, FloatsKey a0) -> bool
3466 has_attribute(Surface self, IntsKey a0) -> bool
3467 has_attribute(Surface self, StringKey a0) -> bool
3468 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3469 has_attribute(Surface self, ObjectKey a0) -> bool
3470 has_attribute(Surface self, SparseFloatKey a0) -> bool
3471 has_attribute(Surface self, SparseIntKey a0) -> bool
3472 has_attribute(Surface self, SparseStringKey a0) -> bool
3473 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3475 return _IMP_core.Surface_has_attribute(self, *args)
3477 def get_derivative(self, a0):
3478 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3479 return _IMP_core.Surface_get_derivative(self, a0)
3482 r"""get_name(Surface self) -> std::string"""
3483 return _IMP_core.Surface_get_name(self)
3485 def clear_caches(self):
3486 r"""clear_caches(Surface self)"""
3487 return _IMP_core.Surface_clear_caches(self)
3489 def set_name(self, a0):
3490 r"""set_name(Surface self, std::string a0)"""
3491 return _IMP_core.Surface_set_name(self, a0)
3494 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3495 return _IMP_core.Surface_set_check_level(self, a0)
3497 def add_to_derivative(self, a0, a1, a2):
3498 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3499 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3501 def set_is_optimized(self, a0, a1):
3502 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3503 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3505 def get_is_optimized(self, a0):
3506 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3507 return _IMP_core.Surface_get_is_optimized(self, a0)
3510 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3511 return _IMP_core.Surface_get_check_level(self)
3513 def __eq__(self, *args):
3515 __eq__(Surface self, Surface o) -> bool
3516 __eq__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___eq__(self, *args)
3520 def __ne__(self, *args):
3522 __ne__(Surface self, Surface o) -> bool
3523 __ne__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___ne__(self, *args)
3527 def __le__(self, *args):
3529 __le__(Surface self, Surface o) -> bool
3530 __le__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___le__(self, *args)
3534 def __lt__(self, *args):
3536 __lt__(Surface self, Surface o) -> bool
3537 __lt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___lt__(self, *args)
3541 def __ge__(self, *args):
3543 __ge__(Surface self, Surface o) -> bool
3544 __ge__(Surface self, Particle d) -> bool
3546 return _IMP_core.Surface___ge__(self, *args)
3548 def __gt__(self, *args):
3550 __gt__(Surface self, Surface o) -> bool
3551 __gt__(Surface self, Particle d) -> bool
3553 return _IMP_core.Surface___gt__(self, *args)
3556 r"""__hash__(Surface self) -> std::size_t"""
3557 return _IMP_core.Surface___hash__(self)
3560 r"""__str__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___str__(self)
3564 r"""__repr__(Surface self) -> std::string"""
3565 return _IMP_core.Surface___repr__(self)
3567 def _get_as_binary(self):
3568 r"""_get_as_binary(Surface self) -> PyObject *"""
3569 return _IMP_core.Surface__get_as_binary(self)
3571 def _set_from_binary(self, p):
3572 r"""_set_from_binary(Surface self, PyObject * p)"""
3573 return _IMP_core.Surface__set_from_binary(self, p)
3575 def __getstate__(self):
3576 p = self._get_as_binary()
3577 if len(self.__dict__) > 1:
3578 d = self.__dict__.copy()
3583 def __setstate__(self, p):
3584 if not hasattr(self,
'this'):
3586 if isinstance(p, tuple):
3588 self.__dict__.update(d)
3589 return self._set_from_binary(p)
3591 __swig_destroy__ = _IMP_core.delete_Surface
3594 _IMP_core.Surface_swigregister(Surface)
3598 get_height(Surface s, XYZR d) -> double
3599 get_height(Surface s, XYZ d) -> double
3601 return _IMP_core.get_height(*args)
3605 get_depth(Surface s, XYZR d) -> double
3606 get_depth(Surface s, XYZ d) -> double
3608 return _IMP_core.get_depth(*args)
3612 get_distance(XYZ a, XYZ b) -> double
3613 get_distance(XYZR a, XYZR b) -> double
3614 get_distance(Surface s, XYZR d) -> double
3615 get_distance(Surface s, XYZ d) -> double
3617 return _IMP_core.get_distance(*args)
3619 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3623 def __init__(self, *args):
3625 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3626 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3627 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3629 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3631 def get_geometry(self):
3632 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3633 return _IMP_core.SurfaceGeometry_get_geometry(self)
3635 def set_geometry(self, s):
3636 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3637 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3639 def get_version_info(self):
3640 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3641 return _IMP_core.SurfaceGeometry_get_version_info(self)
3642 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3645 r"""__str__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___str__(self)
3649 r"""__repr__(SurfaceGeometry self) -> std::string"""
3650 return _IMP_core.SurfaceGeometry___repr__(self)
3654 return _object_cast_to_SurfaceGeometry(o)
3658 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3661 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3662 return _IMP_core.create_geometry(*args)
3664 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3668 def __init__(self, s, g):
3669 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3670 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3672 def get_surface(self):
3673 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3676 def get_geometry(self):
3677 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3678 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3680 def do_get_inputs(self):
3681 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3684 def do_get_outputs(self):
3685 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3686 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3688 def get_version_info(self):
3689 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3690 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3691 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3694 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3698 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3699 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3703 return _object_cast_to_SurfaceGeometryConstraint(o)
3707 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3710 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3711 return _IMP_core.get_constrained_surface_geometry(*args)
3713 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3717 def __init__(self, s, d):
3718 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3719 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3721 def do_get_inputs(self):
3722 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3725 def do_get_outputs(self):
3726 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3727 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3729 def get_version_info(self):
3730 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3731 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3732 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3735 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___str__(self)
3739 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3740 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3744 return _object_cast_to_LateralSurfaceConstraint(o)
3748 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3750 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3752 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3754 def __init__(self, *args):
3756 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3757 __init__(AngleTripletScore self) -> AngleTripletScore
3759 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3761 def do_get_inputs(self, m, pis):
3762 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3763 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3765 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3766 r"""evaluate_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3769 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3770 r"""evaluate_indexes_scores(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3773 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3774 r"""evaluate_indexes_delta(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3775 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3777 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3778 r"""evaluate_if_good_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3779 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3781 def get_version_info(self):
3782 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3783 return _IMP_core.AngleTripletScore_get_version_info(self)
3784 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3787 r"""__str__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___str__(self)
3791 r"""__repr__(AngleTripletScore self) -> std::string"""
3792 return _IMP_core.AngleTripletScore___repr__(self)
3796 return _object_cast_to_AngleTripletScore(o)
3799 def _get_as_binary(self):
3800 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3801 return _IMP_core.AngleTripletScore__get_as_binary(self)
3803 def _set_from_binary(self, p):
3804 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3805 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3807 def __getstate__(self):
3808 p = self._get_as_binary()
3809 if len(self.__dict__) > 1:
3810 d = self.__dict__.copy()
3815 def __setstate__(self, p):
3816 if not hasattr(self,
'this'):
3818 if isinstance(p, tuple):
3820 self.__dict__.update(d)
3821 return self._set_from_binary(p)
3825 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3826 class BallMover(MonteCarloMover):
3827 r"""Proxy of C++ IMP::core::BallMover class."""
3829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3831 def __init__(self, *args):
3833 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3834 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3835 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3836 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3837 __init__(BallMover self) -> BallMover
3839 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3841 def set_radius(self, radius):
3842 r"""set_radius(BallMover self, IMP::Float radius)"""
3843 return _IMP_core.BallMover_set_radius(self, radius)
3845 def get_radius(self):
3846 r"""get_radius(BallMover self) -> IMP::Float"""
3847 return _IMP_core.BallMover_get_radius(self)
3850 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3851 return _IMP_core.BallMover_get_indexes(self)
3854 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3855 return _IMP_core.BallMover_get_keys(self)
3857 def get_version_info(self):
3858 r"""get_version_info(BallMover self) -> VersionInfo"""
3859 return _IMP_core.BallMover_get_version_info(self)
3860 __swig_destroy__ = _IMP_core.delete_BallMover
3863 r"""__str__(BallMover self) -> std::string"""
3864 return _IMP_core.BallMover___str__(self)
3867 r"""__repr__(BallMover self) -> std::string"""
3868 return _IMP_core.BallMover___repr__(self)
3872 return _object_cast_to_BallMover(o)
3875 def _get_as_binary(self):
3876 r"""_get_as_binary(BallMover self) -> PyObject *"""
3877 return _IMP_core.BallMover__get_as_binary(self)
3879 def _set_from_binary(self, p):
3880 r"""_set_from_binary(BallMover self, PyObject * p)"""
3881 return _IMP_core.BallMover__set_from_binary(self, p)
3883 def __getstate__(self):
3884 p = self._get_as_binary()
3885 if len(self.__dict__) > 1:
3886 d = self.__dict__.copy()
3891 def __setstate__(self, p):
3892 if not hasattr(self,
'this'):
3894 if isinstance(p, tuple):
3896 self.__dict__.update(d)
3897 return self._set_from_binary(p)
3902 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3903 indexes = self.get_indexes()
3904 keys = frozenset(self.get_keys())
3907 elif keys == frozenset(
3911 raise NotImplementedError(
3912 "Only works for XYZ or internal coordinates")
3913 radius = self.get_radius()
3918 def propose_func(jm, key):
3919 key, subkey = jax.random.split(key)
3920 v = get_random_vector_in_3d_sphere(subkey, radius)
3922 rbs = jm[
'rigid_bodies']
3923 rbs.intcoord = rbs.intcoord.at[indexes].add(v)
3925 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3927 return self._wrap_jax(init_func, propose_func,
3928 keys=[
'rigid_bodies']
if intcoord
else None)
3932 _IMP_core.BallMover_swigregister(BallMover)
3933 class SerialMover(MonteCarloMover):
3934 r"""Proxy of C++ IMP::core::SerialMover class."""
3936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3938 def __init__(self, *args):
3940 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3941 __init__(SerialMover self) -> SerialMover
3943 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3945 def get_movers(self):
3946 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3947 return _IMP_core.SerialMover_get_movers(self)
3949 def get_version_info(self):
3950 r"""get_version_info(SerialMover self) -> VersionInfo"""
3951 return _IMP_core.SerialMover_get_version_info(self)
3952 __swig_destroy__ = _IMP_core.delete_SerialMover
3955 r"""__str__(SerialMover self) -> std::string"""
3956 return _IMP_core.SerialMover___str__(self)
3959 r"""__repr__(SerialMover self) -> std::string"""
3960 return _IMP_core.SerialMover___repr__(self)
3964 return _object_cast_to_SerialMover(o)
3967 def _get_as_binary(self):
3968 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3969 return _IMP_core.SerialMover__get_as_binary(self)
3971 def _set_from_binary(self, p):
3972 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3973 return _IMP_core.SerialMover__set_from_binary(self, p)
3975 def __getstate__(self):
3976 p = self._get_as_binary()
3977 if len(self.__dict__) > 1:
3978 d = self.__dict__.copy()
3983 def __setstate__(self, p):
3984 if not hasattr(self,
'this'):
3986 if isinstance(p, tuple):
3988 self.__dict__.update(d)
3989 return self._set_from_binary(p)
3995 import jax.numpy
as jnp
3996 from IMP.core._jax_util
import _SerialMover
3997 movers = [m.get_derived_object()._get_jax()
3998 for m
in self.get_movers()]
4000 def sub_propose_func(jm, sms, i):
4001 """Call the propose_func of the ith mover"""
4002 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4003 jm, sms.mover_state[i])
4004 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4005 return jm, sms, ratio
4007 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4008 for i
in range(len(movers))]
4014 key, subkey = jax.random.split(key)
4015 mover_state.append(m.init_func(subkey))
4016 return _SerialMover(
4017 imov=-1, mover_state=mover_state,
4018 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4019 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4021 def propose_func(jm, sms):
4022 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4023 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4025 def accept_func(sms):
4027 sms.accepted_mover_steps = \
4028 sms.accepted_mover_steps.at[sms.imov].add(1)
4031 def sync_func(imp_mover, sms):
4033 for i, mover
in enumerate(imp_mover.get_movers()):
4034 mover.add_to_statistics(
4035 sms.proposed_mover_steps[i],
4036 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4038 return self._wrap_jax(
4039 init_func, propose_func, accept_func, sync_func,
4040 keys=frozenset(x
for m
in movers
for x
in m._keys))
4044 _IMP_core.SerialMover_swigregister(SerialMover)
4045 class SubsetMover(MonteCarloMover):
4046 r"""Proxy of C++ IMP::core::SubsetMover class."""
4048 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4050 def __init__(self, *args):
4052 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4053 __init__(SubsetMover self) -> SubsetMover
4055 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4057 def get_movers(self):
4058 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4059 return _IMP_core.SubsetMover_get_movers(self)
4061 def get_subset_size(self):
4062 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4063 return _IMP_core.SubsetMover_get_subset_size(self)
4065 def get_version_info(self):
4066 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4067 return _IMP_core.SubsetMover_get_version_info(self)
4068 __swig_destroy__ = _IMP_core.delete_SubsetMover
4071 r"""__str__(SubsetMover self) -> std::string"""
4072 return _IMP_core.SubsetMover___str__(self)
4075 r"""__repr__(SubsetMover self) -> std::string"""
4076 return _IMP_core.SubsetMover___repr__(self)
4080 return _object_cast_to_SubsetMover(o)
4083 def _get_as_binary(self):
4084 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4085 return _IMP_core.SubsetMover__get_as_binary(self)
4087 def _set_from_binary(self, p):
4088 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4089 return _IMP_core.SubsetMover__set_from_binary(self, p)
4091 def __getstate__(self):
4092 p = self._get_as_binary()
4093 if len(self.__dict__) > 1:
4094 d = self.__dict__.copy()
4099 def __setstate__(self, p):
4100 if not hasattr(self,
'this'):
4102 if isinstance(p, tuple):
4104 self.__dict__.update(d)
4105 return self._set_from_binary(p)
4109 _IMP_core.SubsetMover_swigregister(SubsetMover)
4110 class DirectionMover(MonteCarloMover):
4111 r"""Proxy of C++ IMP::core::DirectionMover class."""
4113 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4115 def __init__(self, *args):
4117 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4118 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4119 __init__(DirectionMover self) -> DirectionMover
4121 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4123 def set_maximum_rotation(self, mr):
4124 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4125 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4127 def set_reflect_probability(self, rp):
4128 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4129 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4131 def get_maximum_rotation(self):
4132 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4133 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4135 def get_reflect_probability(self):
4136 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4137 return _IMP_core.DirectionMover_get_reflect_probability(self)
4139 def get_direction(self):
4140 r"""get_direction(DirectionMover self) -> Direction"""
4141 return _IMP_core.DirectionMover_get_direction(self)
4143 def get_version_info(self):
4144 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4145 return _IMP_core.DirectionMover_get_version_info(self)
4146 __swig_destroy__ = _IMP_core.delete_DirectionMover
4149 r"""__str__(DirectionMover self) -> std::string"""
4150 return _IMP_core.DirectionMover___str__(self)
4153 r"""__repr__(DirectionMover self) -> std::string"""
4154 return _IMP_core.DirectionMover___repr__(self)
4158 return _object_cast_to_DirectionMover(o)
4161 def _get_as_binary(self):
4162 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4163 return _IMP_core.DirectionMover__get_as_binary(self)
4165 def _set_from_binary(self, p):
4166 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4167 return _IMP_core.DirectionMover__set_from_binary(self, p)
4169 def __getstate__(self):
4170 p = self._get_as_binary()
4171 if len(self.__dict__) > 1:
4172 d = self.__dict__.copy()
4177 def __setstate__(self, p):
4178 if not hasattr(self,
'this'):
4180 if isinstance(p, tuple):
4182 self.__dict__.update(d)
4183 return self._set_from_binary(p)
4187 _IMP_core.DirectionMover_swigregister(DirectionMover)
4188 class SurfaceMover(MonteCarloMover):
4189 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4193 def __init__(self, *args):
4195 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4196 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4197 __init__(SurfaceMover self) -> SurfaceMover
4199 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4201 def set_maximum_translation(self, mt):
4202 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4203 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4205 def set_maximum_rotation(self, mr):
4206 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4207 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4209 def set_reflect_probability(self, rp):
4210 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4211 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4213 def get_maximum_translation(self):
4214 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4215 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4217 def get_maximum_rotation(self):
4218 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4219 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4221 def get_reflect_probability(self):
4222 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4223 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4225 def get_surface(self):
4226 r"""get_surface(SurfaceMover self) -> Surface"""
4227 return _IMP_core.SurfaceMover_get_surface(self)
4229 def get_version_info(self):
4230 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4231 return _IMP_core.SurfaceMover_get_version_info(self)
4232 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4235 r"""__str__(SurfaceMover self) -> std::string"""
4236 return _IMP_core.SurfaceMover___str__(self)
4239 r"""__repr__(SurfaceMover self) -> std::string"""
4240 return _IMP_core.SurfaceMover___repr__(self)
4244 return _object_cast_to_SurfaceMover(o)
4247 def _get_as_binary(self):
4248 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4249 return _IMP_core.SurfaceMover__get_as_binary(self)
4251 def _set_from_binary(self, p):
4252 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4253 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4255 def __getstate__(self):
4256 p = self._get_as_binary()
4257 if len(self.__dict__) > 1:
4258 d = self.__dict__.copy()
4263 def __setstate__(self, p):
4264 if not hasattr(self,
'this'):
4266 if isinstance(p, tuple):
4268 self.__dict__.update(d)
4269 return self._set_from_binary(p)
4273 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4274 class BoxSweepClosePairsFinder(ClosePairsFinder):
4275 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4280 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4281 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4283 def get_close_pairs(self, *args):
4285 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4286 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4287 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4288 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4290 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4292 def do_get_inputs(self, m, pis):
4293 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4294 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4296 def get_version_info(self):
4297 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4298 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4299 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4302 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4303 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4306 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4307 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4311 return _object_cast_to_BoxSweepClosePairsFinder(o)
4315 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4317 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4321 def __init__(self, *args):
4322 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4323 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4325 def get_refiner(self):
4326 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4327 return _IMP_core.CentroidOfRefined_get_refiner(self)
4329 def get_weight(self):
4330 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4331 return _IMP_core.CentroidOfRefined_get_weight(self)
4334 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4335 return _IMP_core.CentroidOfRefined_get_keys(self)
4337 def get_is_weight_null(self):
4338 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4339 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4341 def do_get_inputs(self, m, pis):
4342 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4343 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4345 def do_get_outputs(self, m, pis):
4346 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4347 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4349 def get_version_info(self):
4350 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4351 return _IMP_core.CentroidOfRefined_get_version_info(self)
4352 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4355 r"""__str__(CentroidOfRefined self) -> std::string"""
4356 return _IMP_core.CentroidOfRefined___str__(self)
4359 r"""__repr__(CentroidOfRefined self) -> std::string"""
4360 return _IMP_core.CentroidOfRefined___repr__(self)
4364 return _object_cast_to_CentroidOfRefined(o)
4367 def _get_jax(self, m, indexes):
4368 import jax.numpy
as jnp
4371 for index
in indexes]
4373 def apply_func_unweighted(jm):
4374 for ind, ref
in zip(indexes, refined):
4376 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4379 def apply_func_weighted(jm, weight_key):
4380 for ind, ref
in zip(indexes, refined):
4382 weights = jm[weight_key][ref]
4383 jm[
'xyz'] = xyz.at[ind].set(
4384 jnp.average(xyz[ref], axis=0, weights=weights))
4387 keys = frozenset(self.get_keys())
4389 raise NotImplementedError(
"Only works for XYZ")
4391 if self.get_is_weight_null():
4392 return self._wrap_jax(apply_func_unweighted)
4394 weight_key = self.get_weight()
4395 return self._wrap_jax(
4396 functools.partial(apply_func_weighted,
4397 weight_key=weight_key.get_string()),
4402 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4403 class Centroid(XYZ):
4404 r"""Proxy of C++ IMP::core::Centroid class."""
4406 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4408 def get_constraint(self):
4409 r"""get_constraint(Centroid self) -> Constraint"""
4410 return _IMP_core.Centroid_get_constraint(self)
4412 def __init__(self, *args):
4414 __init__(Centroid self) -> Centroid
4415 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4416 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4418 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4420 def show(self, *args):
4421 r"""show(Centroid self, _ostream out=std::cout)"""
4422 return _IMP_core.Centroid_show(self, *args)
4425 def setup_particle(*args):
4427 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4428 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4429 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4430 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4432 return _IMP_core.Centroid_setup_particle(*args)
4435 def get_is_setup(*args):
4437 get_is_setup(_ParticleAdaptor p) -> bool
4438 get_is_setup(Model m, ParticleIndex pi) -> bool
4440 return _IMP_core.Centroid_get_is_setup(*args)
4442 def add_attribute(self, *args):
4444 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4445 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4446 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4447 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4448 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4449 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4450 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4451 add_attribute(Centroid self, ObjectKey a0, Object a1)
4452 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4453 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4454 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4455 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4457 return _IMP_core.Centroid_add_attribute(self, *args)
4459 def get_value(self, *args):
4461 get_value(Centroid self, FloatKey a0) -> IMP::Float
4462 get_value(Centroid self, IntKey a0) -> IMP::Int
4463 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4464 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4465 get_value(Centroid self, StringKey a0) -> IMP::String
4466 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4467 get_value(Centroid self, ObjectKey a0) -> Object
4468 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4469 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4470 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4471 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4473 return _IMP_core.Centroid_get_value(self, *args)
4475 def set_value(self, *args):
4477 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4478 set_value(Centroid self, IntKey a0, IMP::Int a1)
4479 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4480 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4481 set_value(Centroid self, StringKey a0, IMP::String a1)
4482 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4483 set_value(Centroid self, ObjectKey a0, Object a1)
4484 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4485 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4486 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4487 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4489 return _IMP_core.Centroid_set_value(self, *args)
4491 def remove_attribute(self, *args):
4493 remove_attribute(Centroid self, FloatKey a0)
4494 remove_attribute(Centroid self, IntKey a0)
4495 remove_attribute(Centroid self, FloatsKey a0)
4496 remove_attribute(Centroid self, IntsKey a0)
4497 remove_attribute(Centroid self, StringKey a0)
4498 remove_attribute(Centroid self, ParticleIndexKey a0)
4499 remove_attribute(Centroid self, ObjectKey a0)
4500 remove_attribute(Centroid self, SparseFloatKey a0)
4501 remove_attribute(Centroid self, SparseIntKey a0)
4502 remove_attribute(Centroid self, SparseStringKey a0)
4503 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4505 return _IMP_core.Centroid_remove_attribute(self, *args)
4507 def has_attribute(self, *args):
4509 has_attribute(Centroid self, FloatKey a0) -> bool
4510 has_attribute(Centroid self, IntKey a0) -> bool
4511 has_attribute(Centroid self, FloatsKey a0) -> bool
4512 has_attribute(Centroid self, IntsKey a0) -> bool
4513 has_attribute(Centroid self, StringKey a0) -> bool
4514 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4515 has_attribute(Centroid self, ObjectKey a0) -> bool
4516 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4517 has_attribute(Centroid self, SparseIntKey a0) -> bool
4518 has_attribute(Centroid self, SparseStringKey a0) -> bool
4519 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4521 return _IMP_core.Centroid_has_attribute(self, *args)
4523 def get_derivative(self, a0):
4524 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4525 return _IMP_core.Centroid_get_derivative(self, a0)
4528 r"""get_name(Centroid self) -> std::string"""
4529 return _IMP_core.Centroid_get_name(self)
4531 def clear_caches(self):
4532 r"""clear_caches(Centroid self)"""
4533 return _IMP_core.Centroid_clear_caches(self)
4535 def set_name(self, a0):
4536 r"""set_name(Centroid self, std::string a0)"""
4537 return _IMP_core.Centroid_set_name(self, a0)
4540 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4541 return _IMP_core.Centroid_set_check_level(self, a0)
4543 def add_to_derivative(self, a0, a1, a2):
4544 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4545 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4547 def set_is_optimized(self, a0, a1):
4548 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4549 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4551 def get_is_optimized(self, a0):
4552 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4553 return _IMP_core.Centroid_get_is_optimized(self, a0)
4556 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4557 return _IMP_core.Centroid_get_check_level(self)
4559 def __eq__(self, *args):
4561 __eq__(Centroid self, Centroid o) -> bool
4562 __eq__(Centroid self, Particle d) -> bool
4564 return _IMP_core.Centroid___eq__(self, *args)
4566 def __ne__(self, *args):
4568 __ne__(Centroid self, Centroid o) -> bool
4569 __ne__(Centroid self, Particle d) -> bool
4571 return _IMP_core.Centroid___ne__(self, *args)
4573 def __le__(self, *args):
4575 __le__(Centroid self, Centroid o) -> bool
4576 __le__(Centroid self, Particle d) -> bool
4578 return _IMP_core.Centroid___le__(self, *args)
4580 def __lt__(self, *args):
4582 __lt__(Centroid self, Centroid o) -> bool
4583 __lt__(Centroid self, Particle d) -> bool
4585 return _IMP_core.Centroid___lt__(self, *args)
4587 def __ge__(self, *args):
4589 __ge__(Centroid self, Centroid o) -> bool
4590 __ge__(Centroid self, Particle d) -> bool
4592 return _IMP_core.Centroid___ge__(self, *args)
4594 def __gt__(self, *args):
4596 __gt__(Centroid self, Centroid o) -> bool
4597 __gt__(Centroid self, Particle d) -> bool
4599 return _IMP_core.Centroid___gt__(self, *args)
4602 r"""__hash__(Centroid self) -> std::size_t"""
4603 return _IMP_core.Centroid___hash__(self)
4606 r"""__str__(Centroid self) -> std::string"""
4607 return _IMP_core.Centroid___str__(self)
4610 r"""__repr__(Centroid self) -> std::string"""
4611 return _IMP_core.Centroid___repr__(self)
4613 def _get_as_binary(self):
4614 r"""_get_as_binary(Centroid self) -> PyObject *"""
4615 return _IMP_core.Centroid__get_as_binary(self)
4617 def _set_from_binary(self, p):
4618 r"""_set_from_binary(Centroid self, PyObject * p)"""
4619 return _IMP_core.Centroid__set_from_binary(self, p)
4621 def __getstate__(self):
4622 p = self._get_as_binary()
4623 if len(self.__dict__) > 1:
4624 d = self.__dict__.copy()
4629 def __setstate__(self, p):
4630 if not hasattr(self,
'this'):
4632 if isinstance(p, tuple):
4634 self.__dict__.update(d)
4635 return self._set_from_binary(p)
4637 __swig_destroy__ = _IMP_core.delete_Centroid
4640 _IMP_core.Centroid_swigregister(Centroid)
4642 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4646 def __init__(self, *args):
4648 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4649 __init__(ChecksScoreState self) -> ChecksScoreState
4651 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4653 def get_number_of_checked(self):
4654 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4655 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4657 def do_before_evaluate(self):
4658 r"""do_before_evaluate(ChecksScoreState self)"""
4659 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4661 def do_after_evaluate(self, da):
4662 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4663 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4665 def do_get_outputs(self):
4666 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4667 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4669 def do_get_inputs(self):
4670 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4671 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4673 def get_version_info(self):
4674 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4675 return _IMP_core.ChecksScoreState_get_version_info(self)
4676 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4679 r"""__str__(ChecksScoreState self) -> std::string"""
4680 return _IMP_core.ChecksScoreState___str__(self)
4683 r"""__repr__(ChecksScoreState self) -> std::string"""
4684 return _IMP_core.ChecksScoreState___repr__(self)
4688 return _object_cast_to_ChecksScoreState(o)
4691 def _get_as_binary(self):
4692 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4693 return _IMP_core.ChecksScoreState__get_as_binary(self)
4695 def _set_from_binary(self, p):
4696 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4697 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4699 def __getstate__(self):
4700 p = self._get_as_binary()
4701 if len(self.__dict__) > 1:
4702 d = self.__dict__.copy()
4707 def __setstate__(self, p):
4708 if not hasattr(self,
'this'):
4710 if isinstance(p, tuple):
4712 self.__dict__.update(d)
4713 return self._set_from_binary(p)
4717 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4719 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4723 def __init__(self, tr):
4724 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4725 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4727 def do_get_inputs(self, m, pis):
4728 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4729 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4731 def get_version_info(self):
4732 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4733 return _IMP_core.ChildrenRefiner_get_version_info(self)
4734 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4737 r"""__str__(ChildrenRefiner self) -> std::string"""
4738 return _IMP_core.ChildrenRefiner___str__(self)
4741 r"""__repr__(ChildrenRefiner self) -> std::string"""
4742 return _IMP_core.ChildrenRefiner___repr__(self)
4746 return _object_cast_to_ChildrenRefiner(o)
4750 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4752 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4756 def __init__(self, values, minrange, spacing):
4757 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4758 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4760 def get_version_info(self):
4761 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4762 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4763 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4765 def do_show(self, out):
4766 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4767 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4769 def get_minrange(self):
4770 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4771 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4773 def get_spacing(self):
4774 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4775 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4777 def get_values(self):
4778 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4779 return _IMP_core.ClosedCubicSpline_get_values(self)
4781 def get_second_derivatives(self):
4782 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4783 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4786 r"""__str__(ClosedCubicSpline self) -> std::string"""
4787 return _IMP_core.ClosedCubicSpline___str__(self)
4790 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4791 return _IMP_core.ClosedCubicSpline___repr__(self)
4795 return _object_cast_to_ClosedCubicSpline(o)
4799 import jax.numpy
as jnp
4800 from IMP.core._jax_util
import _spline
4801 def score(feature, minrange, spacing, values, second_derivs):
4803 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4805 highbin = jnp.remainder(lowbin + 1, len(values))
4806 return _spline(feature, minrange, lowbin, highbin, spacing,
4807 values, second_derivs)
4808 return functools.partial(
4809 score, minrange=self.get_minrange(),
4810 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4811 second_derivs=jnp.asarray(self.get_second_derivatives()))
4815 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4817 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4819 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4821 def __init__(self, f, r, k=1):
4822 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4823 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4825 def get_close_pairs(self, pp):
4826 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4827 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4829 def create_current_decomposition(self, m, vt):
4830 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4831 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4833 def do_get_inputs(self, m, pis):
4834 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4835 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4837 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4838 r"""evaluate_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4839 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4841 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4842 r"""evaluate_indexes_scores(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4843 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4845 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4846 r"""evaluate_indexes_delta(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4847 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4849 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4850 r"""evaluate_if_good_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4851 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4853 def get_version_info(self):
4854 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4855 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4856 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4859 r"""__str__(KClosePairsPairScore self) -> std::string"""
4860 return _IMP_core.KClosePairsPairScore___str__(self)
4863 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4864 return _IMP_core.KClosePairsPairScore___repr__(self)
4868 return _object_cast_to_KClosePairsPairScore(o)
4872 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4874 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4876 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4878 def __init__(self, f, r, max_distance):
4879 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4880 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4882 def get_close_pairs(self, pp):
4883 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4884 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4886 def create_current_decomposition(self, m, vt):
4887 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4888 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4890 def do_get_inputs(self, m, pis):
4891 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4892 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4894 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4895 r"""evaluate_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4896 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4898 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4899 r"""evaluate_indexes_scores(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4900 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4902 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4903 r"""evaluate_indexes_delta(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4904 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4906 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4907 r"""evaluate_if_good_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4908 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4910 def get_version_info(self):
4911 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4912 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4913 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4916 r"""__str__(ClosePairsPairScore self) -> std::string"""
4917 return _IMP_core.ClosePairsPairScore___str__(self)
4920 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4921 return _IMP_core.ClosePairsPairScore___repr__(self)
4925 return _object_cast_to_ClosePairsPairScore(o)
4929 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4931 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4933 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4935 def __init__(self, *args):
4937 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4938 __init__(ConjugateGradients self) -> ConjugateGradients
4940 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4942 def set_gradient_threshold(self, t):
4943 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4944 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4946 def set_max_change(self, t):
4947 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4948 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4950 def do_optimize(self, max_steps):
4951 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4952 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4954 def get_version_info(self):
4955 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4956 return _IMP_core.ConjugateGradients_get_version_info(self)
4957 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4960 r"""__str__(ConjugateGradients self) -> std::string"""
4961 return _IMP_core.ConjugateGradients___str__(self)
4964 r"""__repr__(ConjugateGradients self) -> std::string"""
4965 return _IMP_core.ConjugateGradients___repr__(self)
4969 return _object_cast_to_ConjugateGradients(o)
4972 def _get_as_binary(self):
4973 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4974 return _IMP_core.ConjugateGradients__get_as_binary(self)
4976 def _set_from_binary(self, p):
4977 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4978 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4980 def __getstate__(self):
4981 p = self._get_as_binary()
4982 if len(self.__dict__) > 1:
4983 d = self.__dict__.copy()
4988 def __setstate__(self, p):
4989 if not hasattr(self,
'this'):
4991 if isinstance(p, tuple):
4993 self.__dict__.update(d)
4994 return self._set_from_binary(p)
4998 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5000 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5002 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5004 def __init__(self, ps, sc):
5005 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5006 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5008 def get_connected_index_pairs(self):
5009 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5010 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5012 def get_pair_score(self):
5013 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5014 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5016 def do_create_current_decomposition(self):
5017 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5018 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5020 def do_get_inputs(self):
5021 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5022 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5024 def get_version_info(self):
5025 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5026 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5027 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5030 r"""__str__(ConnectivityRestraint self) -> std::string"""
5031 return _IMP_core.ConnectivityRestraint___str__(self)
5034 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5035 return _IMP_core.ConnectivityRestraint___repr__(self)
5039 return _object_cast_to_ConnectivityRestraint(o)
5043 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5045 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5047 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5049 def __init__(self, *args):
5051 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5052 __init__(ConstantRestraint self) -> ConstantRestraint
5054 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5056 def do_get_inputs(self):
5057 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5058 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5060 def get_version_info(self):
5061 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5062 return _IMP_core.ConstantRestraint_get_version_info(self)
5063 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5066 r"""__str__(ConstantRestraint self) -> std::string"""
5067 return _IMP_core.ConstantRestraint___str__(self)
5070 r"""__repr__(ConstantRestraint self) -> std::string"""
5071 return _IMP_core.ConstantRestraint___repr__(self)
5075 return _object_cast_to_ConstantRestraint(o)
5078 def _get_as_binary(self):
5079 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5080 return _IMP_core.ConstantRestraint__get_as_binary(self)
5082 def _set_from_binary(self, p):
5083 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5084 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5086 def __getstate__(self):
5087 p = self._get_as_binary()
5088 if len(self.__dict__) > 1:
5089 d = self.__dict__.copy()
5094 def __setstate__(self, p):
5095 if not hasattr(self,
'this'):
5097 if isinstance(p, tuple):
5099 self.__dict__.update(d)
5100 return self._set_from_binary(p)
5104 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5106 r"""Proxy of C++ IMP::core::Cosine class."""
5108 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5110 def __init__(self, *args):
5112 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5113 __init__(Cosine self) -> Cosine
5115 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5117 def get_force_constant(self):
5118 r"""get_force_constant(Cosine self) -> IMP::Float"""
5119 return _IMP_core.Cosine_get_force_constant(self)
5121 def get_periodicity(self):
5122 r"""get_periodicity(Cosine self) -> int"""
5123 return _IMP_core.Cosine_get_periodicity(self)
5125 def get_phase(self):
5126 r"""get_phase(Cosine self) -> IMP::Float"""
5127 return _IMP_core.Cosine_get_phase(self)
5129 def get_version_info(self):
5130 r"""get_version_info(Cosine self) -> VersionInfo"""
5131 return _IMP_core.Cosine_get_version_info(self)
5132 __swig_destroy__ = _IMP_core.delete_Cosine
5134 def do_show(self, out):
5135 r"""do_show(Cosine self, _ostream out)"""
5136 return _IMP_core.Cosine_do_show(self, out)
5139 r"""__str__(Cosine self) -> std::string"""
5140 return _IMP_core.Cosine___str__(self)
5143 r"""__repr__(Cosine self) -> std::string"""
5144 return _IMP_core.Cosine___repr__(self)
5148 return _object_cast_to_Cosine(o)
5151 def _get_as_binary(self):
5152 r"""_get_as_binary(Cosine self) -> PyObject *"""
5153 return _IMP_core.Cosine__get_as_binary(self)
5155 def _set_from_binary(self, p):
5156 r"""_set_from_binary(Cosine self, PyObject * p)"""
5157 return _IMP_core.Cosine__set_from_binary(self, p)
5159 def __getstate__(self):
5160 p = self._get_as_binary()
5161 if len(self.__dict__) > 1:
5162 d = self.__dict__.copy()
5167 def __setstate__(self, p):
5168 if not hasattr(self,
'this'):
5170 if isinstance(p, tuple):
5172 self.__dict__.update(d)
5173 return self._set_from_binary(p)
5177 import jax.numpy
as jnp
5178 def score(val, k, period, phase):
5179 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5180 return functools.partial(score, k=self.get_force_constant(),
5181 period=self.get_periodicity(),
5182 phase=self.get_phase())
5186 _IMP_core.Cosine_swigregister(Cosine)
5188 r"""Proxy of C++ IMP::core::CoverRefined class."""
5190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5192 def __init__(self, ref, slack=0):
5193 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5194 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5196 def set_slack(self, slack):
5197 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5198 return _IMP_core.CoverRefined_set_slack(self, slack)
5200 def do_get_inputs(self, m, pis):
5201 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5202 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5204 def do_get_outputs(self, m, pis):
5205 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5206 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5208 def get_version_info(self):
5209 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5210 return _IMP_core.CoverRefined_get_version_info(self)
5211 __swig_destroy__ = _IMP_core.delete_CoverRefined
5214 r"""__str__(CoverRefined self) -> std::string"""
5215 return _IMP_core.CoverRefined___str__(self)
5218 r"""__repr__(CoverRefined self) -> std::string"""
5219 return _IMP_core.CoverRefined___repr__(self)
5223 return _object_cast_to_CoverRefined(o)
5227 _IMP_core.CoverRefined_swigregister(CoverRefined)
5229 r"""Proxy of C++ IMP::core::Cover class."""
5231 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5233 def get_constraint(self):
5234 r"""get_constraint(Cover self) -> Constraint"""
5235 return _IMP_core.Cover_get_constraint(self)
5237 def __init__(self, *args):
5239 __init__(Cover self) -> Cover
5240 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5241 __init__(Cover self, _ParticleAdaptor d) -> Cover
5243 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5245 def show(self, *args):
5246 r"""show(Cover self, _ostream out=std::cout)"""
5247 return _IMP_core.Cover_show(self, *args)
5250 def setup_particle(*args):
5252 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5253 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5254 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5255 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5257 return _IMP_core.Cover_setup_particle(*args)
5260 def get_is_setup(*args):
5262 get_is_setup(_ParticleAdaptor p) -> bool
5263 get_is_setup(Model m, ParticleIndex pi) -> bool
5265 return _IMP_core.Cover_get_is_setup(*args)
5267 def add_attribute(self, *args):
5269 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5270 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5271 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5272 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5273 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5274 add_attribute(Cover self, StringKey a0, IMP::String a1)
5275 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5276 add_attribute(Cover self, ObjectKey a0, Object a1)
5277 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5278 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5279 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5280 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5282 return _IMP_core.Cover_add_attribute(self, *args)
5284 def get_value(self, *args):
5286 get_value(Cover self, FloatKey a0) -> IMP::Float
5287 get_value(Cover self, IntKey a0) -> IMP::Int
5288 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5289 get_value(Cover self, IntsKey a0) -> IMP::Ints
5290 get_value(Cover self, StringKey a0) -> IMP::String
5291 get_value(Cover self, ParticleIndexKey a0) -> Particle
5292 get_value(Cover self, ObjectKey a0) -> Object
5293 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5294 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5295 get_value(Cover self, SparseStringKey a0) -> IMP::String
5296 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5298 return _IMP_core.Cover_get_value(self, *args)
5300 def set_value(self, *args):
5302 set_value(Cover self, FloatKey a0, IMP::Float a1)
5303 set_value(Cover self, IntKey a0, IMP::Int a1)
5304 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5305 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5306 set_value(Cover self, StringKey a0, IMP::String a1)
5307 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5308 set_value(Cover self, ObjectKey a0, Object a1)
5309 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5310 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5311 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5312 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5314 return _IMP_core.Cover_set_value(self, *args)
5316 def remove_attribute(self, *args):
5318 remove_attribute(Cover self, FloatKey a0)
5319 remove_attribute(Cover self, IntKey a0)
5320 remove_attribute(Cover self, FloatsKey a0)
5321 remove_attribute(Cover self, IntsKey a0)
5322 remove_attribute(Cover self, StringKey a0)
5323 remove_attribute(Cover self, ParticleIndexKey a0)
5324 remove_attribute(Cover self, ObjectKey a0)
5325 remove_attribute(Cover self, SparseFloatKey a0)
5326 remove_attribute(Cover self, SparseIntKey a0)
5327 remove_attribute(Cover self, SparseStringKey a0)
5328 remove_attribute(Cover self, SparseParticleIndexKey a0)
5330 return _IMP_core.Cover_remove_attribute(self, *args)
5332 def has_attribute(self, *args):
5334 has_attribute(Cover self, FloatKey a0) -> bool
5335 has_attribute(Cover self, IntKey a0) -> bool
5336 has_attribute(Cover self, FloatsKey a0) -> bool
5337 has_attribute(Cover self, IntsKey a0) -> bool
5338 has_attribute(Cover self, StringKey a0) -> bool
5339 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5340 has_attribute(Cover self, ObjectKey a0) -> bool
5341 has_attribute(Cover self, SparseFloatKey a0) -> bool
5342 has_attribute(Cover self, SparseIntKey a0) -> bool
5343 has_attribute(Cover self, SparseStringKey a0) -> bool
5344 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5346 return _IMP_core.Cover_has_attribute(self, *args)
5348 def get_derivative(self, a0):
5349 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5350 return _IMP_core.Cover_get_derivative(self, a0)
5353 r"""get_name(Cover self) -> std::string"""
5354 return _IMP_core.Cover_get_name(self)
5356 def clear_caches(self):
5357 r"""clear_caches(Cover self)"""
5358 return _IMP_core.Cover_clear_caches(self)
5360 def set_name(self, a0):
5361 r"""set_name(Cover self, std::string a0)"""
5362 return _IMP_core.Cover_set_name(self, a0)
5365 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5366 return _IMP_core.Cover_set_check_level(self, a0)
5368 def add_to_derivative(self, a0, a1, a2):
5369 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5370 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5372 def set_is_optimized(self, a0, a1):
5373 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5374 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5376 def get_is_optimized(self, a0):
5377 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5378 return _IMP_core.Cover_get_is_optimized(self, a0)
5381 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5382 return _IMP_core.Cover_get_check_level(self)
5384 def __eq__(self, *args):
5386 __eq__(Cover self, Cover o) -> bool
5387 __eq__(Cover self, Particle d) -> bool
5389 return _IMP_core.Cover___eq__(self, *args)
5391 def __ne__(self, *args):
5393 __ne__(Cover self, Cover o) -> bool
5394 __ne__(Cover self, Particle d) -> bool
5396 return _IMP_core.Cover___ne__(self, *args)
5398 def __le__(self, *args):
5400 __le__(Cover self, Cover o) -> bool
5401 __le__(Cover self, Particle d) -> bool
5403 return _IMP_core.Cover___le__(self, *args)
5405 def __lt__(self, *args):
5407 __lt__(Cover self, Cover o) -> bool
5408 __lt__(Cover self, Particle d) -> bool
5410 return _IMP_core.Cover___lt__(self, *args)
5412 def __ge__(self, *args):
5414 __ge__(Cover self, Cover o) -> bool
5415 __ge__(Cover self, Particle d) -> bool
5417 return _IMP_core.Cover___ge__(self, *args)
5419 def __gt__(self, *args):
5421 __gt__(Cover self, Cover o) -> bool
5422 __gt__(Cover self, Particle d) -> bool
5424 return _IMP_core.Cover___gt__(self, *args)
5427 r"""__hash__(Cover self) -> std::size_t"""
5428 return _IMP_core.Cover___hash__(self)
5431 r"""__str__(Cover self) -> std::string"""
5432 return _IMP_core.Cover___str__(self)
5435 r"""__repr__(Cover self) -> std::string"""
5436 return _IMP_core.Cover___repr__(self)
5438 def _get_as_binary(self):
5439 r"""_get_as_binary(Cover self) -> PyObject *"""
5440 return _IMP_core.Cover__get_as_binary(self)
5442 def _set_from_binary(self, p):
5443 r"""_set_from_binary(Cover self, PyObject * p)"""
5444 return _IMP_core.Cover__set_from_binary(self, p)
5446 def __getstate__(self):
5447 p = self._get_as_binary()
5448 if len(self.__dict__) > 1:
5449 d = self.__dict__.copy()
5454 def __setstate__(self, p):
5455 if not hasattr(self,
'this'):
5457 if isinstance(p, tuple):
5459 self.__dict__.update(d)
5460 return self._set_from_binary(p)
5462 __swig_destroy__ = _IMP_core.delete_Cover
5465 _IMP_core.Cover_swigregister(Cover)
5467 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5471 def __init__(self, *args):
5472 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5473 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5475 def do_get_inputs(self, m, pis):
5476 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5477 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5479 def do_get_outputs(self, m, pis):
5480 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5481 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5483 def get_version_info(self):
5484 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5485 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5486 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5489 r"""__str__(DerivativesFromRefined self) -> std::string"""
5490 return _IMP_core.DerivativesFromRefined___str__(self)
5493 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5494 return _IMP_core.DerivativesFromRefined___repr__(self)
5498 return _object_cast_to_DerivativesFromRefined(o)
5502 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5504 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5508 def __init__(self, *args):
5509 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5510 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5512 def do_get_inputs(self, m, pis):
5513 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5514 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5516 def do_get_outputs(self, m, pis):
5517 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5518 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5520 def get_version_info(self):
5521 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5522 return _IMP_core.DerivativesToRefined_get_version_info(self)
5523 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5526 r"""__str__(DerivativesToRefined self) -> std::string"""
5527 return _IMP_core.DerivativesToRefined___str__(self)
5530 r"""__repr__(DerivativesToRefined self) -> std::string"""
5531 return _IMP_core.DerivativesToRefined___repr__(self)
5535 return _object_cast_to_DerivativesToRefined(o)
5539 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5541 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5545 def __init__(self, f, sc, diameter):
5546 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5547 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5549 def do_get_inputs(self):
5550 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5551 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5553 def get_version_info(self):
5554 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5555 return _IMP_core.DiameterRestraint_get_version_info(self)
5556 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5558 def do_create_decomposition(self):
5559 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5560 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5562 def do_create_current_decomposition(self):
5563 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5564 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5567 r"""__str__(DiameterRestraint self) -> std::string"""
5568 return _IMP_core.DiameterRestraint___str__(self)
5571 r"""__repr__(DiameterRestraint self) -> std::string"""
5572 return _IMP_core.DiameterRestraint___repr__(self)
5576 return _object_cast_to_DiameterRestraint(o)
5580 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5582 r"""Proxy of C++ IMP::core::Transform class."""
5584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5586 def __init__(self, *args):
5588 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5589 __init__(Transform self) -> Transform
5591 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5593 def do_get_inputs(self, m, pis):
5594 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5595 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5597 def do_get_outputs(self, m, pis):
5598 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5599 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5601 def get_version_info(self):
5602 r"""get_version_info(Transform self) -> VersionInfo"""
5603 return _IMP_core.Transform_get_version_info(self)
5604 __swig_destroy__ = _IMP_core.delete_Transform
5607 r"""__str__(Transform self) -> std::string"""
5608 return _IMP_core.Transform___str__(self)
5611 r"""__repr__(Transform self) -> std::string"""
5612 return _IMP_core.Transform___repr__(self)
5616 return _object_cast_to_Transform(o)
5619 def _get_as_binary(self):
5620 r"""_get_as_binary(Transform self) -> PyObject *"""
5621 return _IMP_core.Transform__get_as_binary(self)
5623 def _set_from_binary(self, p):
5624 r"""_set_from_binary(Transform self, PyObject * p)"""
5625 return _IMP_core.Transform__set_from_binary(self, p)
5627 def __getstate__(self):
5628 p = self._get_as_binary()
5629 if len(self.__dict__) > 1:
5630 d = self.__dict__.copy()
5635 def __setstate__(self, p):
5636 if not hasattr(self,
'this'):
5638 if isinstance(p, tuple):
5640 self.__dict__.update(d)
5641 return self._set_from_binary(p)
5645 _IMP_core.Transform_swigregister(Transform)
5647 r"""Proxy of C++ IMP::core::Reference class."""
5649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5651 def __init__(self, *args):
5653 __init__(Reference self) -> Reference
5654 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5655 __init__(Reference self, _ParticleAdaptor d) -> Reference
5657 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5659 def show(self, *args):
5660 r"""show(Reference self, _ostream out=std::cout)"""
5661 return _IMP_core.Reference_show(self, *args)
5664 def setup_particle(*args):
5666 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5667 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5669 return _IMP_core.Reference_setup_particle(*args)
5671 def get_reference_particle(self):
5672 r"""get_reference_particle(Reference self) -> Particle"""
5673 return _IMP_core.Reference_get_reference_particle(self)
5676 def get_is_setup(*args):
5678 get_is_setup(_ParticleAdaptor p) -> bool
5679 get_is_setup(Model m, ParticleIndex pi) -> bool
5681 return _IMP_core.Reference_get_is_setup(*args)
5684 def get_reference_key():
5685 r"""get_reference_key() -> ParticleIndexKey"""
5686 return _IMP_core.Reference_get_reference_key()
5688 def add_attribute(self, *args):
5690 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5691 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5692 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5693 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5694 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5695 add_attribute(Reference self, StringKey a0, IMP::String a1)
5696 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5697 add_attribute(Reference self, ObjectKey a0, Object a1)
5698 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5699 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5700 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5701 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5703 return _IMP_core.Reference_add_attribute(self, *args)
5705 def get_value(self, *args):
5707 get_value(Reference self, FloatKey a0) -> IMP::Float
5708 get_value(Reference self, IntKey a0) -> IMP::Int
5709 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5710 get_value(Reference self, IntsKey a0) -> IMP::Ints
5711 get_value(Reference self, StringKey a0) -> IMP::String
5712 get_value(Reference self, ParticleIndexKey a0) -> Particle
5713 get_value(Reference self, ObjectKey a0) -> Object
5714 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5715 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5716 get_value(Reference self, SparseStringKey a0) -> IMP::String
5717 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5719 return _IMP_core.Reference_get_value(self, *args)
5721 def set_value(self, *args):
5723 set_value(Reference self, FloatKey a0, IMP::Float a1)
5724 set_value(Reference self, IntKey a0, IMP::Int a1)
5725 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5726 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5727 set_value(Reference self, StringKey a0, IMP::String a1)
5728 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5729 set_value(Reference self, ObjectKey a0, Object a1)
5730 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5731 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5732 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5733 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5735 return _IMP_core.Reference_set_value(self, *args)
5737 def remove_attribute(self, *args):
5739 remove_attribute(Reference self, FloatKey a0)
5740 remove_attribute(Reference self, IntKey a0)
5741 remove_attribute(Reference self, FloatsKey a0)
5742 remove_attribute(Reference self, IntsKey a0)
5743 remove_attribute(Reference self, StringKey a0)
5744 remove_attribute(Reference self, ParticleIndexKey a0)
5745 remove_attribute(Reference self, ObjectKey a0)
5746 remove_attribute(Reference self, SparseFloatKey a0)
5747 remove_attribute(Reference self, SparseIntKey a0)
5748 remove_attribute(Reference self, SparseStringKey a0)
5749 remove_attribute(Reference self, SparseParticleIndexKey a0)
5751 return _IMP_core.Reference_remove_attribute(self, *args)
5753 def has_attribute(self, *args):
5755 has_attribute(Reference self, FloatKey a0) -> bool
5756 has_attribute(Reference self, IntKey a0) -> bool
5757 has_attribute(Reference self, FloatsKey a0) -> bool
5758 has_attribute(Reference self, IntsKey a0) -> bool
5759 has_attribute(Reference self, StringKey a0) -> bool
5760 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5761 has_attribute(Reference self, ObjectKey a0) -> bool
5762 has_attribute(Reference self, SparseFloatKey a0) -> bool
5763 has_attribute(Reference self, SparseIntKey a0) -> bool
5764 has_attribute(Reference self, SparseStringKey a0) -> bool
5765 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5767 return _IMP_core.Reference_has_attribute(self, *args)
5769 def get_derivative(self, a0):
5770 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5771 return _IMP_core.Reference_get_derivative(self, a0)
5774 r"""get_name(Reference self) -> std::string"""
5775 return _IMP_core.Reference_get_name(self)
5777 def clear_caches(self):
5778 r"""clear_caches(Reference self)"""
5779 return _IMP_core.Reference_clear_caches(self)
5781 def set_name(self, a0):
5782 r"""set_name(Reference self, std::string a0)"""
5783 return _IMP_core.Reference_set_name(self, a0)
5786 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5787 return _IMP_core.Reference_set_check_level(self, a0)
5789 def add_to_derivative(self, a0, a1, a2):
5790 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5791 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5793 def set_is_optimized(self, a0, a1):
5794 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5795 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5797 def get_is_optimized(self, a0):
5798 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5799 return _IMP_core.Reference_get_is_optimized(self, a0)
5802 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5803 return _IMP_core.Reference_get_check_level(self)
5805 def __eq__(self, *args):
5807 __eq__(Reference self, Reference o) -> bool
5808 __eq__(Reference self, Particle d) -> bool
5810 return _IMP_core.Reference___eq__(self, *args)
5812 def __ne__(self, *args):
5814 __ne__(Reference self, Reference o) -> bool
5815 __ne__(Reference self, Particle d) -> bool
5817 return _IMP_core.Reference___ne__(self, *args)
5819 def __le__(self, *args):
5821 __le__(Reference self, Reference o) -> bool
5822 __le__(Reference self, Particle d) -> bool
5824 return _IMP_core.Reference___le__(self, *args)
5826 def __lt__(self, *args):
5828 __lt__(Reference self, Reference o) -> bool
5829 __lt__(Reference self, Particle d) -> bool
5831 return _IMP_core.Reference___lt__(self, *args)
5833 def __ge__(self, *args):
5835 __ge__(Reference self, Reference o) -> bool
5836 __ge__(Reference self, Particle d) -> bool
5838 return _IMP_core.Reference___ge__(self, *args)
5840 def __gt__(self, *args):
5842 __gt__(Reference self, Reference o) -> bool
5843 __gt__(Reference self, Particle d) -> bool
5845 return _IMP_core.Reference___gt__(self, *args)
5848 r"""__hash__(Reference self) -> std::size_t"""
5849 return _IMP_core.Reference___hash__(self)
5852 r"""__str__(Reference self) -> std::string"""
5853 return _IMP_core.Reference___str__(self)
5856 r"""__repr__(Reference self) -> std::string"""
5857 return _IMP_core.Reference___repr__(self)
5859 def _get_as_binary(self):
5860 r"""_get_as_binary(Reference self) -> PyObject *"""
5861 return _IMP_core.Reference__get_as_binary(self)
5863 def _set_from_binary(self, p):
5864 r"""_set_from_binary(Reference self, PyObject * p)"""
5865 return _IMP_core.Reference__set_from_binary(self, p)
5867 def __getstate__(self):
5868 p = self._get_as_binary()
5869 if len(self.__dict__) > 1:
5870 d = self.__dict__.copy()
5875 def __setstate__(self, p):
5876 if not hasattr(self,
'this'):
5878 if isinstance(p, tuple):
5880 self.__dict__.update(d)
5881 return self._set_from_binary(p)
5883 __swig_destroy__ = _IMP_core.delete_Reference
5886 _IMP_core.Reference_swigregister(Reference)
5888 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5892 def __init__(self, t, r):
5893 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5894 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5896 def do_get_inputs(self, m, pis):
5897 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5898 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5900 def do_get_outputs(self, m, pis):
5901 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5902 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5904 def get_version_info(self):
5905 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5906 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5907 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5910 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5911 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5914 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5915 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5919 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5923 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5925 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5927 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5929 def __init__(self, *args):
5931 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5932 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5934 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5936 def get_transformation(self):
5937 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5938 return _IMP_core.TransformationSymmetry_get_transformation(self)
5940 def set_transformation(self, t):
5941 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5942 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5944 def do_get_inputs(self, m, pis):
5945 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5946 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5948 def do_get_outputs(self, m, pis):
5949 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5950 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5952 def get_version_info(self):
5953 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5954 return _IMP_core.TransformationSymmetry_get_version_info(self)
5955 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5958 r"""__str__(TransformationSymmetry self) -> std::string"""
5959 return _IMP_core.TransformationSymmetry___str__(self)
5962 r"""__repr__(TransformationSymmetry self) -> std::string"""
5963 return _IMP_core.TransformationSymmetry___repr__(self)
5967 return _object_cast_to_TransformationSymmetry(o)
5971 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5972 class TransformationSymmetryMover(MonteCarloMover):
5973 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5977 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5978 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5979 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5981 def set_maximum_translation(self, mt):
5982 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5983 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5985 def set_maximum_rotation(self, mr):
5986 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5987 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5989 def get_maximum_translation(self):
5990 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5991 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5993 def get_maximum_rotation(self):
5994 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5995 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5997 def get_version_info(self):
5998 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5999 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6000 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6003 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6004 return _IMP_core.TransformationSymmetryMover___str__(self)
6007 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6008 return _IMP_core.TransformationSymmetryMover___repr__(self)
6012 return _object_cast_to_TransformationSymmetryMover(o)
6016 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6018 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6020 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6022 def __init__(self, m, score_func, p1, p2, p3, p4):
6023 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6024 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6026 def do_get_inputs(self):
6027 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6028 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6030 def get_version_info(self):
6031 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6032 return _IMP_core.DihedralRestraint_get_version_info(self)
6033 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6036 r"""__str__(DihedralRestraint self) -> std::string"""
6037 return _IMP_core.DihedralRestraint___str__(self)
6040 r"""__repr__(DihedralRestraint self) -> std::string"""
6041 return _IMP_core.DihedralRestraint___repr__(self)
6045 return _object_cast_to_DihedralRestraint(o)
6049 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6051 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6055 def __init__(self, *args):
6057 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6058 __init__(DistancePairScore self) -> DistancePairScore
6060 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6062 def do_get_inputs(self, m, pis):
6063 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6064 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6066 def get_score_functor(self, *args):
6068 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6069 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6071 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6073 def get_version_info(self):
6074 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6075 return _IMP_core.DistancePairScore_get_version_info(self)
6076 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6079 r"""__str__(DistancePairScore self) -> std::string"""
6080 return _IMP_core.DistancePairScore___str__(self)
6083 r"""__repr__(DistancePairScore self) -> std::string"""
6084 return _IMP_core.DistancePairScore___repr__(self)
6088 return _object_cast_to_DistancePairScore(o)
6091 def _get_as_binary(self):
6092 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6093 return _IMP_core.DistancePairScore__get_as_binary(self)
6095 def _set_from_binary(self, p):
6096 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6097 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6099 def __getstate__(self):
6100 p = self._get_as_binary()
6101 if len(self.__dict__) > 1:
6102 d = self.__dict__.copy()
6107 def __setstate__(self, p):
6108 if not hasattr(self,
'this'):
6110 if isinstance(p, tuple):
6112 self.__dict__.update(d)
6113 return self._set_from_binary(p)
6116 def _get_jax(self, m, indexes):
6117 import jax.numpy
as jnp
6118 def jax_score(jm, uf):
6119 xyzs = jm[
'xyz'][indexes]
6120 diff = xyzs[:,0] - xyzs[:,1]
6121 drs = jnp.linalg.norm(diff, axis=1)
6123 sfnc = self.get_score_functor()
6124 uf = sfnc.get_unary_function().get_derived_object()
6125 f = functools.partial(jax_score, uf=uf._get_jax())
6126 return self._wrap_jax(m, f)
6130 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6132 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6136 def __init__(self, *args):
6138 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6139 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6141 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6143 def do_get_inputs(self, m, pis):
6144 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6145 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6147 def get_score_functor(self, *args):
6149 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6150 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6152 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6155 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6156 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6159 r"""get_k(HarmonicDistancePairScore self) -> double"""
6160 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6162 def get_version_info(self):
6163 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6164 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6165 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6168 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6169 return _IMP_core.HarmonicDistancePairScore___str__(self)
6172 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6173 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6177 return _object_cast_to_HarmonicDistancePairScore(o)
6180 def _get_as_binary(self):
6181 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6182 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6184 def _set_from_binary(self, p):
6185 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6186 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6188 def __getstate__(self):
6189 p = self._get_as_binary()
6190 if len(self.__dict__) > 1:
6191 d = self.__dict__.copy()
6196 def __setstate__(self, p):
6197 if not hasattr(self,
'this'):
6199 if isinstance(p, tuple):
6201 self.__dict__.update(d)
6202 return self._set_from_binary(p)
6205 def _get_jax(self, m, indexes):
6206 import jax.numpy
as jnp
6207 def jax_harmonic_distance_pair_score(jm, d, k):
6208 xyzs = jm[
'xyz'][indexes]
6209 diff = xyzs[:,0] - xyzs[:,1]
6210 drs = jnp.linalg.norm(diff, axis=1)
6211 return 0.5 * k * (d - drs)**2
6212 f = functools.partial(jax_harmonic_distance_pair_score,
6213 d=self.get_x0(), k=self.get_k())
6214 return self._wrap_jax(m, f)
6218 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6220 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6222 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6224 def __init__(self, *args):
6226 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6227 __init__(DistanceRestraint self) -> DistanceRestraint
6229 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6231 def get_score_object(self):
6232 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6233 return _IMP_core.DistanceRestraint_get_score_object(self)
6236 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6237 return _IMP_core.DistanceRestraint_get_index(self)
6239 def get_version_info(self):
6240 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6241 return _IMP_core.DistanceRestraint_get_version_info(self)
6242 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6245 r"""__str__(DistanceRestraint self) -> std::string"""
6246 return _IMP_core.DistanceRestraint___str__(self)
6249 r"""__repr__(DistanceRestraint self) -> std::string"""
6250 return _IMP_core.DistanceRestraint___repr__(self)
6254 return _object_cast_to_DistanceRestraint(o)
6257 def _get_as_binary(self):
6258 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6259 return _IMP_core.DistanceRestraint__get_as_binary(self)
6261 def _set_from_binary(self, p):
6262 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6263 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6265 def __getstate__(self):
6266 p = self._get_as_binary()
6267 if len(self.__dict__) > 1:
6268 d = self.__dict__.copy()
6273 def __setstate__(self, p):
6274 if not hasattr(self,
'this'):
6276 if isinstance(p, tuple):
6278 self.__dict__.update(d)
6279 return self._set_from_binary(p)
6283 import jax.numpy
as jnp
6284 ps = self.get_score_object()
6285 indexes = jnp.array([self.get_index()])
6286 ji = ps._get_jax(self.get_model(), indexes)
6288 return jnp.sum(ji.score_func(jm))
6289 return self._wrap_jax(score)
6293 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6295 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6299 def __init__(self, f, pt):
6300 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6301 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6303 def do_get_inputs(self, m, pis):
6304 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6305 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6307 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6308 r"""evaluate_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6309 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6311 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6312 r"""evaluate_indexes_scores(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6313 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6315 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6316 r"""evaluate_indexes_delta(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6317 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6319 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6320 r"""evaluate_if_good_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6321 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6323 def get_version_info(self):
6324 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6325 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6326 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6329 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6330 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6333 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6334 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6338 return _object_cast_to_SphereDistanceToSingletonScore(o)
6342 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6344 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6348 def __init__(self, *args):
6349 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6350 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6352 def do_get_inputs(self):
6353 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6354 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6356 def get_version_info(self):
6357 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6358 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6359 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6361 def do_create_decomposition(self):
6362 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6363 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6365 def do_create_current_decomposition(self):
6366 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6367 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6370 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6371 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6372 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
6373 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6374 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6375 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6377 def remove_pair_filter(self, d):
6378 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6379 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6381 def _python_index_pair_filter(self, d, start, stop):
6382 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6383 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6385 def remove_pair_filters(self, d):
6386 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6387 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6389 def set_pair_filters(self, ps):
6390 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6391 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6393 def set_pair_filters_order(self, objs):
6394 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6395 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6397 def add_pair_filter(self, obj):
6398 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6399 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6401 def add_pair_filters(self, objs):
6402 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6403 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6405 def clear_pair_filters(self):
6406 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6407 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6409 def get_number_of_pair_filters(self):
6410 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6411 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6413 def get_has_pair_filters(self):
6414 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6415 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6417 def get_pair_filter(self, i):
6418 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6419 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6421 def get_pair_filters(self):
6422 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6423 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6425 def erase_pair_filter(self, i):
6426 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6427 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6429 def reserve_pair_filters(self, sz):
6430 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6431 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6434 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6435 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6438 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6439 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6443 return _object_cast_to_ExcludedVolumeRestraint(o)
6447 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6449 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6453 def __init__(self, *args):
6455 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6456 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6458 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6460 def do_get_inputs(self, m, pis):
6461 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6462 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6464 def get_version_info(self):
6465 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6466 return _IMP_core.FixedRefiner_get_version_info(self)
6467 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6470 r"""__str__(FixedRefiner self) -> std::string"""
6471 return _IMP_core.FixedRefiner___str__(self)
6474 r"""__repr__(FixedRefiner self) -> std::string"""
6475 return _IMP_core.FixedRefiner___repr__(self)
6479 return _object_cast_to_FixedRefiner(o)
6483 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6484 class GridClosePairsFinder(ClosePairsFinder):
6485 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6490 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6491 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6493 def get_close_pairs(self, *args):
6495 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6496 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6497 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6498 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6500 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6502 def do_get_inputs(self, m, pis):
6503 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6504 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6506 def get_version_info(self):
6507 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6508 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6509 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6512 r"""__str__(GridClosePairsFinder self) -> std::string"""
6513 return _IMP_core.GridClosePairsFinder___str__(self)
6516 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6517 return _IMP_core.GridClosePairsFinder___repr__(self)
6521 return _object_cast_to_GridClosePairsFinder(o)
6524 def _get_as_binary(self):
6525 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6526 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6528 def _set_from_binary(self, p):
6529 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6530 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6532 def __getstate__(self):
6533 p = self._get_as_binary()
6534 if len(self.__dict__) > 1:
6535 d = self.__dict__.copy()
6540 def __setstate__(self, p):
6541 if not hasattr(self,
'this'):
6543 if isinstance(p, tuple):
6545 self.__dict__.update(d)
6546 return self._set_from_binary(p)
6550 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6552 r"""Proxy of C++ IMP::core::Harmonic class."""
6554 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6556 def __init__(self, *args):
6558 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6559 __init__(Harmonic self) -> Harmonic
6561 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6563 def get_version_info(self):
6564 r"""get_version_info(Harmonic self) -> VersionInfo"""
6565 return _IMP_core.Harmonic_get_version_info(self)
6566 __swig_destroy__ = _IMP_core.delete_Harmonic
6569 r"""get_mean(Harmonic self) -> IMP::Float"""
6570 return _IMP_core.Harmonic_get_mean(self)
6573 r"""get_k(Harmonic self) -> IMP::Float"""
6574 return _IMP_core.Harmonic_get_k(self)
6576 def set_mean(self, mean):
6577 r"""set_mean(Harmonic self, IMP::Float mean)"""
6578 return _IMP_core.Harmonic_set_mean(self, mean)
6581 r"""set_k(Harmonic self, IMP::Float k)"""
6582 return _IMP_core.Harmonic_set_k(self, k)
6585 def get_k_from_standard_deviation(sd, t=297.15):
6586 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6587 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6590 r"""__str__(Harmonic self) -> std::string"""
6591 return _IMP_core.Harmonic___str__(self)
6594 r"""__repr__(Harmonic self) -> std::string"""
6595 return _IMP_core.Harmonic___repr__(self)
6599 return _object_cast_to_Harmonic(o)
6602 def _get_as_binary(self):
6603 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6604 return _IMP_core.Harmonic__get_as_binary(self)
6606 def _set_from_binary(self, p):
6607 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6608 return _IMP_core.Harmonic__set_from_binary(self, p)
6610 def __getstate__(self):
6611 p = self._get_as_binary()
6612 if len(self.__dict__) > 1:
6613 d = self.__dict__.copy()
6618 def __setstate__(self, p):
6619 if not hasattr(self,
'this'):
6621 if isinstance(p, tuple):
6623 self.__dict__.update(d)
6624 return self._set_from_binary(p)
6628 def score(val, mean, k):
6629 return 0.5 * k * (mean - val) ** 2
6630 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6634 _IMP_core.Harmonic_swigregister(Harmonic)
6636 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6640 def __init__(self, well, k):
6641 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6642 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6645 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6646 return _IMP_core.HarmonicWell_get_well(self)
6649 r"""get_k(HarmonicWell self) -> double"""
6650 return _IMP_core.HarmonicWell_get_k(self)
6652 def get_version_info(self):
6653 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6654 return _IMP_core.HarmonicWell_get_version_info(self)
6655 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6658 r"""__str__(HarmonicWell self) -> std::string"""
6659 return _IMP_core.HarmonicWell___str__(self)
6662 r"""__repr__(HarmonicWell self) -> std::string"""
6663 return _IMP_core.HarmonicWell___repr__(self)
6667 return _object_cast_to_HarmonicWell(o)
6671 import jax.numpy
as jnp
6672 def score(val, lb, ub, k):
6673 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6674 well = self.get_well()
6675 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6679 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6680 class HarmonicLowerBound(Harmonic):
6681 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6685 def __init__(self, *args):
6687 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6688 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6690 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6691 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6694 r"""__str__(HarmonicLowerBound self) -> std::string"""
6695 return _IMP_core.HarmonicLowerBound___str__(self)
6698 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6699 return _IMP_core.HarmonicLowerBound___repr__(self)
6703 return _object_cast_to_HarmonicLowerBound(o)
6706 def _get_as_binary(self):
6707 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6708 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6710 def _set_from_binary(self, p):
6711 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6712 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6714 def __getstate__(self):
6715 p = self._get_as_binary()
6716 if len(self.__dict__) > 1:
6717 d = self.__dict__.copy()
6722 def __setstate__(self, p):
6723 if not hasattr(self,
'this'):
6725 if isinstance(p, tuple):
6727 self.__dict__.update(d)
6728 return self._set_from_binary(p)
6733 def score(val, mean, k):
6734 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6735 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6739 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6740 class HarmonicUpperBound(Harmonic):
6741 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6745 def __init__(self, *args):
6747 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6748 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6750 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6751 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6754 r"""__str__(HarmonicUpperBound self) -> std::string"""
6755 return _IMP_core.HarmonicUpperBound___str__(self)
6758 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6759 return _IMP_core.HarmonicUpperBound___repr__(self)
6763 return _object_cast_to_HarmonicUpperBound(o)
6766 def _get_as_binary(self):
6767 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6768 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6770 def _set_from_binary(self, p):
6771 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6772 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6774 def __getstate__(self):
6775 p = self._get_as_binary()
6776 if len(self.__dict__) > 1:
6777 d = self.__dict__.copy()
6782 def __setstate__(self, p):
6783 if not hasattr(self,
'this'):
6785 if isinstance(p, tuple):
6787 self.__dict__.update(d)
6788 return self._set_from_binary(p)
6793 def score(val, mean, k):
6794 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6795 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6799 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6801 r"""Proxy of C++ IMP::core::WeightedSum class."""
6803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6805 def __init__(self, funcs, weights):
6806 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6807 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6809 def get_function_number(self):
6810 r"""get_function_number(WeightedSum self) -> unsigned int"""
6811 return _IMP_core.WeightedSum_get_function_number(self)
6813 def set_weights(self, weights):
6814 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6815 return _IMP_core.WeightedSum_set_weights(self, weights)
6817 def get_weights(self):
6818 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6819 return _IMP_core.WeightedSum_get_weights(self)
6821 def get_weight(self, i):
6822 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6823 return _IMP_core.WeightedSum_get_weight(self, i)
6825 def get_function(self, i):
6826 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6827 return _IMP_core.WeightedSum_get_function(self, i)
6829 def get_version_info(self):
6830 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6831 return _IMP_core.WeightedSum_get_version_info(self)
6832 __swig_destroy__ = _IMP_core.delete_WeightedSum
6835 r"""__str__(WeightedSum self) -> std::string"""
6836 return _IMP_core.WeightedSum___str__(self)
6839 r"""__repr__(WeightedSum self) -> std::string"""
6840 return _IMP_core.WeightedSum___repr__(self)
6844 return _object_cast_to_WeightedSum(o)
6848 import jax.numpy
as jnp
6849 def score(val, funcs, weights):
6850 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6851 nfunc = self.get_function_number()
6852 funcs = [self.get_function(i).get_derived_object()._get_jax()
6853 for i
in range(nfunc)]
6854 return functools.partial(score, funcs=funcs,
6855 weights=self.get_weights())
6859 _IMP_core.WeightedSum_swigregister(WeightedSum)
6861 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6863 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6865 def __init__(self, funcs, weights, denom=1.0):
6866 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6867 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6869 def get_function_number(self):
6870 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6871 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6873 def set_weights(self, weights):
6874 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6875 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6877 def get_weights(self):
6878 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6879 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6881 def get_weight(self, i):
6882 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6883 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6885 def get_function(self, i):
6886 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6887 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6889 def set_denominator(self, denom):
6890 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6891 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6893 def get_denominator(self):
6894 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6895 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6897 def get_version_info(self):
6898 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6899 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6900 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6903 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6904 return _IMP_core.WeightedSumOfExponential___str__(self)
6907 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6908 return _IMP_core.WeightedSumOfExponential___repr__(self)
6912 return _object_cast_to_WeightedSumOfExponential(o)
6916 import jax.numpy
as jnp
6917 def score(val, funcs, weights, denom):
6918 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6919 for (f, weight)
in zip(funcs, weights))
6920 return -jnp.log(exp_sum) * denom
6921 nfunc = self.get_function_number()
6922 funcs = [self.get_function(i).get_derived_object()._get_jax()
6923 for i
in range(nfunc)]
6924 return functools.partial(score, funcs=funcs,
6925 weights=self.get_weights(),
6926 denom=self.get_denominator())
6930 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6932 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6936 def __init__(self, m, ps, eps=0.1):
6937 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6938 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6940 def add_type(self, ps):
6941 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6942 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6944 def add_composite(self, *args):
6946 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6947 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6949 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6951 def get_connected_pairs(self):
6952 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6953 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6955 def get_pair_score(self):
6956 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6957 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6959 def do_create_current_decomposition(self):
6960 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6961 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6963 def do_get_inputs(self):
6964 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6965 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6967 def get_version_info(self):
6968 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6969 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6970 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6973 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6974 return _IMP_core.MSConnectivityRestraint___str__(self)
6977 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6978 return _IMP_core.MSConnectivityRestraint___repr__(self)
6982 return _object_cast_to_MSConnectivityRestraint(o)
6986 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6987 class HierarchyTraits(object):
6988 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6990 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6992 def __init__(self, *args):
6994 __init__(HierarchyTraits self) -> HierarchyTraits
6995 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6997 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6999 def get_children_key(self):
7000 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7001 return _IMP_core.HierarchyTraits_get_children_key(self)
7003 def get_parent_key(self):
7004 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7005 return _IMP_core.HierarchyTraits_get_parent_key(self)
7007 def __eq__(self, o):
7008 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7009 return _IMP_core.HierarchyTraits___eq__(self, o)
7011 def show(self, *args):
7012 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7013 return _IMP_core.HierarchyTraits_show(self, *args)
7016 r"""__str__(HierarchyTraits self) -> std::string"""
7017 return _IMP_core.HierarchyTraits___str__(self)
7020 r"""__repr__(HierarchyTraits self) -> std::string"""
7021 return _IMP_core.HierarchyTraits___repr__(self)
7022 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7025 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7027 r"""Proxy of C++ IMP::core::Hierarchy class."""
7029 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7031 def get_decorator_traits(self):
7032 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7033 return _IMP_core.Hierarchy_get_decorator_traits(self)
7036 def get_default_decorator_traits():
7037 r"""get_default_decorator_traits() -> HierarchyTraits"""
7038 return _IMP_core.Hierarchy_get_default_decorator_traits()
7040 def __init__(self, *args):
7042 __init__(Hierarchy self) -> Hierarchy
7043 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7044 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7046 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7048 def show(self, *args):
7049 r"""show(Hierarchy self, _ostream out=std::cout)"""
7050 return _IMP_core.Hierarchy_show(self, *args)
7053 def setup_particle(*args):
7055 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7056 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7057 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7058 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7059 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7060 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7062 return _IMP_core.Hierarchy_setup_particle(*args)
7065 def get_is_setup(*args):
7067 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7068 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7070 return _IMP_core.Hierarchy_get_is_setup(*args)
7073 def get_changed_key():
7074 r"""get_changed_key() -> TriggerKey"""
7075 return _IMP_core.Hierarchy_get_changed_key()
7077 def get_parent(self):
7078 r"""get_parent(Hierarchy self) -> Hierarchy"""
7079 return _IMP_core.Hierarchy_get_parent(self)
7081 def get_number_of_children(self):
7082 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7083 return _IMP_core.Hierarchy_get_number_of_children(self)
7085 def get_child(self, i):
7086 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7087 return _IMP_core.Hierarchy_get_child(self, i)
7089 def get_children_indexes(self):
7090 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7091 return _IMP_core.Hierarchy_get_children_indexes(self)
7093 def get_children(self):
7094 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7095 return _IMP_core.Hierarchy_get_children(self)
7097 def remove_child(self, *args):
7099 remove_child(Hierarchy self, unsigned int i)
7100 remove_child(Hierarchy self, Hierarchy h)
7102 return _IMP_core.Hierarchy_remove_child(self, *args)
7104 def clear_children(self):
7105 r"""clear_children(Hierarchy self)"""
7106 return _IMP_core.Hierarchy_clear_children(self)
7108 def add_child(self, h):
7109 r"""add_child(Hierarchy self, Hierarchy h)"""
7110 return _IMP_core.Hierarchy_add_child(self, h)
7112 def add_child_at(self, h, pos):
7113 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7114 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7116 def get_child_index(self, *args):
7118 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7119 get_child_index(Hierarchy self) -> int
7121 return _IMP_core.Hierarchy_get_child_index(self, *args)
7124 def get_default_traits():
7125 r"""get_default_traits() -> HierarchyTraits"""
7126 return _IMP_core.Hierarchy_get_default_traits()
7128 def get_traits(self):
7129 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7130 return _IMP_core.Hierarchy_get_traits(self)
7132 def add_attribute(self, *args):
7134 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7135 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7136 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7137 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7138 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7139 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7140 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7141 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7142 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7143 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7144 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7145 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7147 return _IMP_core.Hierarchy_add_attribute(self, *args)
7149 def get_value(self, *args):
7151 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7152 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7153 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7154 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7155 get_value(Hierarchy self, StringKey a0) -> IMP::String
7156 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7157 get_value(Hierarchy self, ObjectKey a0) -> Object
7158 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7159 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7160 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7161 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7163 return _IMP_core.Hierarchy_get_value(self, *args)
7165 def set_value(self, *args):
7167 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7168 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7169 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7170 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7171 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7172 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7173 set_value(Hierarchy self, ObjectKey a0, Object a1)
7174 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7175 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7176 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7177 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7179 return _IMP_core.Hierarchy_set_value(self, *args)
7181 def remove_attribute(self, *args):
7183 remove_attribute(Hierarchy self, FloatKey a0)
7184 remove_attribute(Hierarchy self, IntKey a0)
7185 remove_attribute(Hierarchy self, FloatsKey a0)
7186 remove_attribute(Hierarchy self, IntsKey a0)
7187 remove_attribute(Hierarchy self, StringKey a0)
7188 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7189 remove_attribute(Hierarchy self, ObjectKey a0)
7190 remove_attribute(Hierarchy self, SparseFloatKey a0)
7191 remove_attribute(Hierarchy self, SparseIntKey a0)
7192 remove_attribute(Hierarchy self, SparseStringKey a0)
7193 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7195 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7197 def has_attribute(self, *args):
7199 has_attribute(Hierarchy self, FloatKey a0) -> bool
7200 has_attribute(Hierarchy self, IntKey a0) -> bool
7201 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7202 has_attribute(Hierarchy self, IntsKey a0) -> bool
7203 has_attribute(Hierarchy self, StringKey a0) -> bool
7204 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7205 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7206 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7207 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7208 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7209 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7211 return _IMP_core.Hierarchy_has_attribute(self, *args)
7213 def get_derivative(self, a0):
7214 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7215 return _IMP_core.Hierarchy_get_derivative(self, a0)
7218 r"""get_name(Hierarchy self) -> std::string"""
7219 return _IMP_core.Hierarchy_get_name(self)
7221 def clear_caches(self):
7222 r"""clear_caches(Hierarchy self)"""
7223 return _IMP_core.Hierarchy_clear_caches(self)
7225 def set_name(self, a0):
7226 r"""set_name(Hierarchy self, std::string a0)"""
7227 return _IMP_core.Hierarchy_set_name(self, a0)
7230 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7231 return _IMP_core.Hierarchy_set_check_level(self, a0)
7233 def add_to_derivative(self, a0, a1, a2):
7234 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7235 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7237 def set_is_optimized(self, a0, a1):
7238 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7239 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7241 def get_is_optimized(self, a0):
7242 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7243 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7246 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7247 return _IMP_core.Hierarchy_get_check_level(self)
7249 def __eq__(self, *args):
7251 __eq__(Hierarchy self, Hierarchy o) -> bool
7252 __eq__(Hierarchy self, Particle d) -> bool
7254 return _IMP_core.Hierarchy___eq__(self, *args)
7256 def __ne__(self, *args):
7258 __ne__(Hierarchy self, Hierarchy o) -> bool
7259 __ne__(Hierarchy self, Particle d) -> bool
7261 return _IMP_core.Hierarchy___ne__(self, *args)
7263 def __le__(self, *args):
7265 __le__(Hierarchy self, Hierarchy o) -> bool
7266 __le__(Hierarchy self, Particle d) -> bool
7268 return _IMP_core.Hierarchy___le__(self, *args)
7270 def __lt__(self, *args):
7272 __lt__(Hierarchy self, Hierarchy o) -> bool
7273 __lt__(Hierarchy self, Particle d) -> bool
7275 return _IMP_core.Hierarchy___lt__(self, *args)
7277 def __ge__(self, *args):
7279 __ge__(Hierarchy self, Hierarchy o) -> bool
7280 __ge__(Hierarchy self, Particle d) -> bool
7282 return _IMP_core.Hierarchy___ge__(self, *args)
7284 def __gt__(self, *args):
7286 __gt__(Hierarchy self, Hierarchy o) -> bool
7287 __gt__(Hierarchy self, Particle d) -> bool
7289 return _IMP_core.Hierarchy___gt__(self, *args)
7292 r"""__hash__(Hierarchy self) -> std::size_t"""
7293 return _IMP_core.Hierarchy___hash__(self)
7296 r"""__str__(Hierarchy self) -> std::string"""
7297 return _IMP_core.Hierarchy___str__(self)
7300 r"""__repr__(Hierarchy self) -> std::string"""
7301 return _IMP_core.Hierarchy___repr__(self)
7302 __swig_destroy__ = _IMP_core.delete_Hierarchy
7305 _IMP_core.Hierarchy_swigregister(Hierarchy)
7306 class HierarchyVisitor(object):
7307 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7309 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7310 __repr__ = _swig_repr
7313 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7314 if self.__class__ == HierarchyVisitor:
7318 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7320 if self.__class__ != HierarchyVisitor:
7321 _director_objects.register(self)
7326 def __call__(self, p):
7327 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7328 return _IMP_core.HierarchyVisitor___call__(self, p)
7329 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7330 def __disown__(self):
7332 _IMP_core.disown_HierarchyVisitor(self)
7333 return weakref.proxy(self)
7336 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7337 class ModifierVisitor(HierarchyVisitor):
7338 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7341 __repr__ = _swig_repr
7343 def __init__(self, sm):
7344 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7345 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7346 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7349 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7350 class HierarchyCounter(HierarchyVisitor):
7351 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7353 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7356 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7357 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7359 def get_count(self):
7360 r"""get_count(HierarchyCounter self) -> unsigned int"""
7361 return _IMP_core.HierarchyCounter_get_count(self)
7363 def show(self, *args):
7364 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7365 return _IMP_core.HierarchyCounter_show(self, *args)
7368 r"""__str__(HierarchyCounter self) -> std::string"""
7369 return _IMP_core.HierarchyCounter___str__(self)
7372 r"""__repr__(HierarchyCounter self) -> std::string"""
7373 return _IMP_core.HierarchyCounter___repr__(self)
7375 def _get_as_binary(self):
7376 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7377 return _IMP_core.HierarchyCounter__get_as_binary(self)
7379 def _set_from_binary(self, p):
7380 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7381 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7383 def __getstate__(self):
7384 p = self._get_as_binary()
7385 if len(self.__dict__) > 1:
7386 d = self.__dict__.copy()
7391 def __setstate__(self, p):
7392 if not hasattr(self,
'this'):
7394 if isinstance(p, tuple):
7396 self.__dict__.update(d)
7397 return self._set_from_binary(p)
7399 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7402 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7405 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7406 return _IMP_core.get_leaves(mhd)
7409 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7410 return _IMP_core.get_internal(mhd)
7413 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7414 return _IMP_core.get_all_descendants(mhd)
7417 r"""get_root(Hierarchy h) -> Hierarchy"""
7418 return _IMP_core.get_root(h)
7421 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7422 return _IMP_core.visit_breadth_first(d, f)
7425 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7426 return _IMP_core.visit_depth_first(d, f)
7428 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7430 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7432 def __init__(self, tr):
7433 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7434 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7436 def do_get_inputs(self, m, pis):
7437 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7438 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7440 def get_version_info(self):
7441 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7442 return _IMP_core.LeavesRefiner_get_version_info(self)
7443 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7446 r"""__str__(LeavesRefiner self) -> std::string"""
7447 return _IMP_core.LeavesRefiner___str__(self)
7450 r"""__repr__(LeavesRefiner self) -> std::string"""
7451 return _IMP_core.LeavesRefiner___repr__(self)
7455 return _object_cast_to_LeavesRefiner(o)
7459 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7461 r"""Proxy of C++ IMP::core::Linear class."""
7463 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7465 def __init__(self, *args):
7467 __init__(Linear self, double offset, double slope) -> Linear
7468 __init__(Linear self) -> Linear
7470 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7472 def set_slope(self, f):
7473 r"""set_slope(Linear self, double f)"""
7474 return _IMP_core.Linear_set_slope(self, f)
7476 def get_slope(self):
7477 r"""get_slope(Linear self) -> double"""
7478 return _IMP_core.Linear_get_slope(self)
7480 def set_offset(self, f):
7481 r"""set_offset(Linear self, double f)"""
7482 return _IMP_core.Linear_set_offset(self, f)
7484 def get_offset(self):
7485 r"""get_offset(Linear self) -> double"""
7486 return _IMP_core.Linear_get_offset(self)
7488 def get_version_info(self):
7489 r"""get_version_info(Linear self) -> VersionInfo"""
7490 return _IMP_core.Linear_get_version_info(self)
7491 __swig_destroy__ = _IMP_core.delete_Linear
7494 r"""__str__(Linear self) -> std::string"""
7495 return _IMP_core.Linear___str__(self)
7498 r"""__repr__(Linear self) -> std::string"""
7499 return _IMP_core.Linear___repr__(self)
7503 return _object_cast_to_Linear(o)
7506 def _get_as_binary(self):
7507 r"""_get_as_binary(Linear self) -> PyObject *"""
7508 return _IMP_core.Linear__get_as_binary(self)
7510 def _set_from_binary(self, p):
7511 r"""_set_from_binary(Linear self, PyObject * p)"""
7512 return _IMP_core.Linear__set_from_binary(self, p)
7514 def __getstate__(self):
7515 p = self._get_as_binary()
7516 if len(self.__dict__) > 1:
7517 d = self.__dict__.copy()
7522 def __setstate__(self, p):
7523 if not hasattr(self,
'this'):
7525 if isinstance(p, tuple):
7527 self.__dict__.update(d)
7528 return self._set_from_binary(p)
7532 def score(val, slope, offset):
7533 return (val - offset) * slope
7534 return functools.partial(score, slope=self.get_slope(),
7535 offset=self.get_offset())
7539 _IMP_core.Linear_swigregister(Linear)
7540 class LogNormalMover(MonteCarloMover):
7541 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7545 def __init__(self, *args):
7547 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7548 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7549 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7550 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7551 __init__(LogNormalMover self) -> LogNormalMover
7553 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7555 def set_sigma(self, sigma):
7556 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7557 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7559 def get_sigma(self):
7560 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7561 return _IMP_core.LogNormalMover_get_sigma(self)
7563 def get_version_info(self):
7564 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7565 return _IMP_core.LogNormalMover_get_version_info(self)
7566 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7569 r"""__str__(LogNormalMover self) -> std::string"""
7570 return _IMP_core.LogNormalMover___str__(self)
7573 r"""__repr__(LogNormalMover self) -> std::string"""
7574 return _IMP_core.LogNormalMover___repr__(self)
7578 return _object_cast_to_LogNormalMover(o)
7581 def _get_as_binary(self):
7582 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7583 return _IMP_core.LogNormalMover__get_as_binary(self)
7585 def _set_from_binary(self, p):
7586 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7587 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7589 def __getstate__(self):
7590 p = self._get_as_binary()
7591 if len(self.__dict__) > 1:
7592 d = self.__dict__.copy()
7597 def __setstate__(self, p):
7598 if not hasattr(self,
'this'):
7600 if isinstance(p, tuple):
7602 self.__dict__.update(d)
7603 return self._set_from_binary(p)
7607 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7608 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7611 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7613 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7615 def __init__(self, m):
7616 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7617 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7619 def get_version_info(self):
7620 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7621 return _IMP_core.MonteCarlo_get_version_info(self)
7622 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7624 def set_return_best(self, tf):
7625 r"""set_return_best(MonteCarlo self, bool tf)"""
7626 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7628 def get_return_best(self):
7629 r"""get_return_best(MonteCarlo self) -> bool"""
7630 return _IMP_core.MonteCarlo_get_return_best(self)
7632 def set_score_moved(self, mv):
7633 r"""set_score_moved(MonteCarlo self, bool mv)"""
7634 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7636 def set_kt(self, t):
7637 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7638 return _IMP_core.MonteCarlo_set_kt(self, t)
7641 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7642 return _IMP_core.MonteCarlo_get_kt(self)
7644 def get_last_accepted_energy(self):
7645 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7646 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7648 def set_last_accepted_energy(self, energy):
7649 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7650 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7652 def get_best_accepted_energy(self):
7653 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7654 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7656 def set_best_accepted_energy(self, energy):
7657 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7658 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7660 def get_number_of_downward_steps(self):
7661 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7662 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7664 def get_number_of_upward_steps(self):
7665 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7666 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7668 def get_number_of_proposed_steps(self):
7669 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7670 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7672 def get_number_of_accepted_steps(self):
7673 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7674 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7676 def set_number_of_downward_steps(self, nsteps):
7677 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7678 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7680 def set_number_of_upward_steps(self, nsteps):
7681 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7682 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7684 def set_number_of_rejected_steps(self, nsteps):
7685 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7686 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7688 def reset_statistics(self):
7689 r"""reset_statistics(MonteCarlo self)"""
7690 return _IMP_core.MonteCarlo_reset_statistics(self)
7692 def set_score_threshold(self, s):
7693 r"""set_score_threshold(MonteCarlo self, double s)"""
7694 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7696 def get_score_threshold(self):
7697 r"""get_score_threshold(MonteCarlo self) -> double"""
7698 return _IMP_core.MonteCarlo_get_score_threshold(self)
7700 def set_maximum_difference(self, d):
7701 r"""set_maximum_difference(MonteCarlo self, double d)"""
7702 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7704 def get_maximum_difference(self):
7705 r"""get_maximum_difference(MonteCarlo self) -> double"""
7706 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7707 def __get_movers(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_movers, getfunc=self.get_mover, erasefunc=self.erase_mover, appendfunc=self.add_mover, extendfunc=self.add_movers, clearfunc=self.clear_movers, indexfunc=self._python_index_mover)
7708 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7709 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7710 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7712 def remove_mover(self, d):
7713 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7714 return _IMP_core.MonteCarlo_remove_mover(self, d)
7716 def _python_index_mover(self, d, start, stop):
7717 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7718 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7720 def remove_movers(self, d):
7721 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7722 return _IMP_core.MonteCarlo_remove_movers(self, d)
7724 def set_movers(self, ps):
7725 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7726 return _IMP_core.MonteCarlo_set_movers(self, ps)
7728 def set_movers_order(self, objs):
7729 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7730 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7732 def add_mover(self, obj):
7733 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7734 return _IMP_core.MonteCarlo_add_mover(self, obj)
7736 def add_movers(self, objs):
7737 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7738 return _IMP_core.MonteCarlo_add_movers(self, objs)
7740 def clear_movers(self):
7741 r"""clear_movers(MonteCarlo self)"""
7742 return _IMP_core.MonteCarlo_clear_movers(self)
7744 def get_number_of_movers(self):
7745 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7746 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7748 def get_has_movers(self):
7749 r"""get_has_movers(MonteCarlo self) -> bool"""
7750 return _IMP_core.MonteCarlo_get_has_movers(self)
7752 def get_mover(self, i):
7753 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7754 return _IMP_core.MonteCarlo_get_mover(self, i)
7756 def get_movers(self):
7757 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7758 return _IMP_core.MonteCarlo_get_movers(self)
7760 def erase_mover(self, i):
7761 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7762 return _IMP_core.MonteCarlo_erase_mover(self, i)
7764 def reserve_movers(self, sz):
7765 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7766 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7769 r"""__str__(MonteCarlo self) -> std::string"""
7770 return _IMP_core.MonteCarlo___str__(self)
7773 r"""__repr__(MonteCarlo self) -> std::string"""
7774 return _IMP_core.MonteCarlo___repr__(self)
7778 return _object_cast_to_MonteCarlo(o)
7782 from IMP.core._jax_util
import _MCJAXInfo
7783 return _MCJAXInfo(self)
7785 def _get_jax_optimizer(self, max_steps):
7786 import IMP.core._jax_util
7787 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7789 def _optimize_jax(self, max_steps):
7790 opt = self._get_jax_optimizer(max_steps)
7791 score, mc_state = opt.optimize(opt.get_initial_state())
7796 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7797 class MonteCarloWithLocalOptimization(MonteCarlo):
7798 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7800 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7802 def __init__(self, opt, steps):
7803 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7804 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7806 def get_number_of_steps(self):
7807 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7808 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7810 def get_local_optimizer(self):
7811 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7812 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7813 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7816 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7817 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7820 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7821 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7825 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7829 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7830 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7831 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7835 def __init__(self, opt, ns):
7836 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7837 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7838 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7841 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7842 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7845 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7846 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7850 return _object_cast_to_MonteCarloWithBasinHopping(o)
7854 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7856 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7858 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7860 def __init__(self, *args):
7861 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7862 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7864 def get_neighbors(self, pi):
7865 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7866 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7868 def get_version_info(self):
7869 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7870 return _IMP_core.NeighborsTable_get_version_info(self)
7871 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7874 r"""__str__(NeighborsTable self) -> std::string"""
7875 return _IMP_core.NeighborsTable___str__(self)
7878 r"""__repr__(NeighborsTable self) -> std::string"""
7879 return _IMP_core.NeighborsTable___repr__(self)
7883 return _object_cast_to_NeighborsTable(o)
7887 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7888 class NormalMover(MonteCarloMover):
7889 r"""Proxy of C++ IMP::core::NormalMover class."""
7891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7893 def __init__(self, *args):
7895 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7896 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7897 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7898 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7899 __init__(NormalMover self) -> NormalMover
7901 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7903 def set_sigma(self, sigma):
7904 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7905 return _IMP_core.NormalMover_set_sigma(self, sigma)
7907 def get_sigma(self):
7908 r"""get_sigma(NormalMover self) -> IMP::Float"""
7909 return _IMP_core.NormalMover_get_sigma(self)
7911 def get_version_info(self):
7912 r"""get_version_info(NormalMover self) -> VersionInfo"""
7913 return _IMP_core.NormalMover_get_version_info(self)
7914 __swig_destroy__ = _IMP_core.delete_NormalMover
7917 r"""__str__(NormalMover self) -> std::string"""
7918 return _IMP_core.NormalMover___str__(self)
7921 r"""__repr__(NormalMover self) -> std::string"""
7922 return _IMP_core.NormalMover___repr__(self)
7926 return _object_cast_to_NormalMover(o)
7929 def _get_as_binary(self):
7930 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7931 return _IMP_core.NormalMover__get_as_binary(self)
7933 def _set_from_binary(self, p):
7934 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7935 return _IMP_core.NormalMover__set_from_binary(self, p)
7937 def __getstate__(self):
7938 p = self._get_as_binary()
7939 if len(self.__dict__) > 1:
7940 d = self.__dict__.copy()
7945 def __setstate__(self, p):
7946 if not hasattr(self,
'this'):
7948 if isinstance(p, tuple):
7950 self.__dict__.update(d)
7951 return self._set_from_binary(p)
7955 _IMP_core.NormalMover_swigregister(NormalMover)
7956 class OpenCubicSpline(_OpenCubicSplineBase):
7957 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7961 def __init__(self, values, minrange, spacing, extend=False):
7962 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7963 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7965 def get_minrange(self):
7966 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7967 return _IMP_core.OpenCubicSpline_get_minrange(self)
7969 def get_spacing(self):
7970 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7971 return _IMP_core.OpenCubicSpline_get_spacing(self)
7973 def get_values(self):
7974 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7975 return _IMP_core.OpenCubicSpline_get_values(self)
7977 def get_extend(self):
7978 r"""get_extend(OpenCubicSpline self) -> bool"""
7979 return _IMP_core.OpenCubicSpline_get_extend(self)
7981 def get_second_derivatives(self):
7982 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7983 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7986 r"""__str__(OpenCubicSpline self) -> std::string"""
7987 return _IMP_core.OpenCubicSpline___str__(self)
7990 r"""__repr__(OpenCubicSpline self) -> std::string"""
7991 return _IMP_core.OpenCubicSpline___repr__(self)
7995 return _object_cast_to_OpenCubicSpline(o)
7999 import jax.numpy
as jnp
8000 from IMP.core._jax_util
import _spline
8001 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8003 feature = jnp.clip(feature, minrange, maxrange)
8005 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8006 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8007 values, second_derivs)
8008 spacing = self.get_spacing()
8009 minrange = self.get_minrange()
8010 values = jnp.asarray(self.get_values())
8011 maxrange = minrange + spacing * (len(values) - 1)
8012 return functools.partial(
8013 score, minrange=minrange, maxrange=maxrange,
8014 spacing=spacing, values=values,
8015 second_derivs=jnp.asarray(self.get_second_derivatives()))
8017 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8020 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8021 class QuadraticClosePairsFinder(ClosePairsFinder):
8022 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8024 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8027 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8028 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8030 def get_are_close_and_filtered(self, *args):
8032 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8033 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8035 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8037 def get_close_pairs(self, *args):
8039 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8040 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8041 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8042 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8044 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8046 def do_get_inputs(self, m, pis):
8047 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8048 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8050 def get_version_info(self):
8051 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8052 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8053 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8056 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8057 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8060 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8061 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8065 return _object_cast_to_QuadraticClosePairsFinder(o)
8069 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8071 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8075 def __init__(self, r, f):
8076 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8077 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8079 def do_get_inputs(self, m, pis):
8080 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8081 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8083 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8084 r"""evaluate_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8085 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8087 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8088 r"""evaluate_indexes_scores(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8089 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8091 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8092 r"""evaluate_indexes_delta(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8093 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8095 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8096 r"""evaluate_if_good_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8097 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8099 def get_version_info(self):
8100 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8101 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8102 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8105 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8106 return _IMP_core.RefinedPairsPairScore___str__(self)
8109 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8110 return _IMP_core.RefinedPairsPairScore___repr__(self)
8114 return _object_cast_to_RefinedPairsPairScore(o)
8118 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8119 class RigidBody(XYZ):
8120 r"""Proxy of C++ IMP::core::RigidBody class."""
8122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8124 def get_rigid_members(self):
8125 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8126 return _IMP_core.RigidBody_get_rigid_members(self)
8129 def get_rotation_keys():
8130 r"""get_rotation_keys() -> IMP::FloatKeys"""
8131 return _IMP_core.RigidBody_get_rotation_keys()
8133 def get_member_particle_indexes(self):
8134 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8135 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8137 def get_body_member_particle_indexes(self):
8138 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8139 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8141 def get_member_indexes(self):
8142 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8143 return _IMP_core.RigidBody_get_member_indexes(self)
8145 def show(self, *args):
8146 r"""show(RigidBody self, _ostream out=std::cout)"""
8147 return _IMP_core.RigidBody_show(self, *args)
8150 def setup_particle(*args):
8152 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8153 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8154 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8155 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8157 return _IMP_core.RigidBody_setup_particle(*args)
8160 def teardown_particle(rb):
8161 r"""teardown_particle(RigidBody rb)"""
8162 return _IMP_core.RigidBody_teardown_particle(rb)
8164 def __init__(self, *args):
8166 __init__(RigidBody self) -> RigidBody
8167 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8168 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8169 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8171 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8172 __swig_destroy__ = _IMP_core.delete_RigidBody
8175 def get_is_setup(*args):
8177 get_is_setup(_ParticleAdaptor p) -> bool
8178 get_is_setup(Model m, ParticleIndex pi) -> bool
8180 return _IMP_core.RigidBody_get_is_setup(*args)
8182 def get_coordinates(self):
8183 r"""get_coordinates(RigidBody self) -> Vector3D"""
8184 return _IMP_core.RigidBody_get_coordinates(self)
8186 def get_rotation(self):
8187 r"""get_rotation(RigidBody self) -> Rotation3D"""
8188 return _IMP_core.RigidBody_get_rotation(self)
8190 def get_reference_frame(self):
8191 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8192 return _IMP_core.RigidBody_get_reference_frame(self)
8194 def set_reference_frame(self, tr):
8195 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8196 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8198 def set_reference_frame_lazy(self, tr):
8199 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8200 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8202 def set_reference_frame_from_members(self, members):
8203 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8204 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8206 def pull_back_members_adjoints(self, da):
8207 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8208 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8210 def pull_back_member_adjoints(self, pi, da):
8211 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8212 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8214 def pull_back_body_member_adjoints(self, pi, da):
8215 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8216 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8218 def add_to_derivatives(self, *args):
8220 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8221 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8223 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8225 def add_to_rotational_derivatives(self, *args):
8227 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8228 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8230 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8232 def add_to_torque(self, torque_local, da):
8233 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8234 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8236 def get_torque(self):
8237 r"""get_torque(RigidBody self) -> Vector3D"""
8238 return _IMP_core.RigidBody_get_torque(self)
8240 def get_coordinates_are_optimized(self):
8241 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8242 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8244 def set_coordinates_are_optimized(self, tf):
8245 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8246 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8248 def normalize_rotation(self):
8249 r"""normalize_rotation(RigidBody self)"""
8250 return _IMP_core.RigidBody_normalize_rotation(self)
8252 def update_members(self):
8253 r"""update_members(RigidBody self)"""
8254 return _IMP_core.RigidBody_update_members(self)
8256 def get_rotational_derivatives(self):
8257 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8258 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8260 def get_number_of_members(self):
8261 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8262 return _IMP_core.RigidBody_get_number_of_members(self)
8264 def get_member(self, i):
8265 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8266 return _IMP_core.RigidBody_get_member(self, i)
8268 def add_member(self, p):
8269 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8270 return _IMP_core.RigidBody_add_member(self, p)
8272 def add_non_rigid_member(self, p):
8273 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8274 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8276 def set_is_rigid_member(self, pi, tf):
8277 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8278 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8280 def remove_member(self, p):
8281 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8282 return _IMP_core.RigidBody_remove_member(self, p)
8284 def add_attribute(self, *args):
8286 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8287 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8288 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8289 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8290 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8291 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8292 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8293 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8294 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8295 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8296 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8297 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8299 return _IMP_core.RigidBody_add_attribute(self, *args)
8301 def get_value(self, *args):
8303 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8304 get_value(RigidBody self, IntKey a0) -> IMP::Int
8305 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8306 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8307 get_value(RigidBody self, StringKey a0) -> IMP::String
8308 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8309 get_value(RigidBody self, ObjectKey a0) -> Object
8310 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8311 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8312 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8313 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8315 return _IMP_core.RigidBody_get_value(self, *args)
8317 def set_value(self, *args):
8319 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8320 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8321 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8322 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8323 set_value(RigidBody self, StringKey a0, IMP::String a1)
8324 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8325 set_value(RigidBody self, ObjectKey a0, Object a1)
8326 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8327 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8328 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8329 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8331 return _IMP_core.RigidBody_set_value(self, *args)
8333 def remove_attribute(self, *args):
8335 remove_attribute(RigidBody self, FloatKey a0)
8336 remove_attribute(RigidBody self, IntKey a0)
8337 remove_attribute(RigidBody self, FloatsKey a0)
8338 remove_attribute(RigidBody self, IntsKey a0)
8339 remove_attribute(RigidBody self, StringKey a0)
8340 remove_attribute(RigidBody self, ParticleIndexKey a0)
8341 remove_attribute(RigidBody self, ObjectKey a0)
8342 remove_attribute(RigidBody self, SparseFloatKey a0)
8343 remove_attribute(RigidBody self, SparseIntKey a0)
8344 remove_attribute(RigidBody self, SparseStringKey a0)
8345 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8347 return _IMP_core.RigidBody_remove_attribute(self, *args)
8349 def has_attribute(self, *args):
8351 has_attribute(RigidBody self, FloatKey a0) -> bool
8352 has_attribute(RigidBody self, IntKey a0) -> bool
8353 has_attribute(RigidBody self, FloatsKey a0) -> bool
8354 has_attribute(RigidBody self, IntsKey a0) -> bool
8355 has_attribute(RigidBody self, StringKey a0) -> bool
8356 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8357 has_attribute(RigidBody self, ObjectKey a0) -> bool
8358 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8359 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8360 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8361 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8363 return _IMP_core.RigidBody_has_attribute(self, *args)
8365 def get_derivative(self, a0):
8366 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8367 return _IMP_core.RigidBody_get_derivative(self, a0)
8370 r"""get_name(RigidBody self) -> std::string"""
8371 return _IMP_core.RigidBody_get_name(self)
8373 def clear_caches(self):
8374 r"""clear_caches(RigidBody self)"""
8375 return _IMP_core.RigidBody_clear_caches(self)
8377 def set_name(self, a0):
8378 r"""set_name(RigidBody self, std::string a0)"""
8379 return _IMP_core.RigidBody_set_name(self, a0)
8382 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8383 return _IMP_core.RigidBody_set_check_level(self, a0)
8385 def add_to_derivative(self, a0, a1, a2):
8386 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8387 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8389 def set_is_optimized(self, a0, a1):
8390 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8391 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8393 def get_is_optimized(self, a0):
8394 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8395 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8398 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8399 return _IMP_core.RigidBody_get_check_level(self)
8401 def __eq__(self, *args):
8403 __eq__(RigidBody self, RigidBody o) -> bool
8404 __eq__(RigidBody self, Particle d) -> bool
8406 return _IMP_core.RigidBody___eq__(self, *args)
8408 def __ne__(self, *args):
8410 __ne__(RigidBody self, RigidBody o) -> bool
8411 __ne__(RigidBody self, Particle d) -> bool
8413 return _IMP_core.RigidBody___ne__(self, *args)
8415 def __le__(self, *args):
8417 __le__(RigidBody self, RigidBody o) -> bool
8418 __le__(RigidBody self, Particle d) -> bool
8420 return _IMP_core.RigidBody___le__(self, *args)
8422 def __lt__(self, *args):
8424 __lt__(RigidBody self, RigidBody o) -> bool
8425 __lt__(RigidBody self, Particle d) -> bool
8427 return _IMP_core.RigidBody___lt__(self, *args)
8429 def __ge__(self, *args):
8431 __ge__(RigidBody self, RigidBody o) -> bool
8432 __ge__(RigidBody self, Particle d) -> bool
8434 return _IMP_core.RigidBody___ge__(self, *args)
8436 def __gt__(self, *args):
8438 __gt__(RigidBody self, RigidBody o) -> bool
8439 __gt__(RigidBody self, Particle d) -> bool
8441 return _IMP_core.RigidBody___gt__(self, *args)
8444 r"""__hash__(RigidBody self) -> std::size_t"""
8445 return _IMP_core.RigidBody___hash__(self)
8448 r"""__str__(RigidBody self) -> std::string"""
8449 return _IMP_core.RigidBody___str__(self)
8452 r"""__repr__(RigidBody self) -> std::string"""
8453 return _IMP_core.RigidBody___repr__(self)
8455 def _get_as_binary(self):
8456 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8457 return _IMP_core.RigidBody__get_as_binary(self)
8459 def _set_from_binary(self, p):
8460 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8461 return _IMP_core.RigidBody__set_from_binary(self, p)
8463 def __getstate__(self):
8464 p = self._get_as_binary()
8465 if len(self.__dict__) > 1:
8466 d = self.__dict__.copy()
8471 def __setstate__(self, p):
8472 if not hasattr(self,
'this'):
8474 if isinstance(p, tuple):
8476 self.__dict__.update(d)
8477 return self._set_from_binary(p)
8481 _IMP_core.RigidBody_swigregister(RigidBody)
8484 r"""add_rigid_body_cache_key(ObjectKey k)"""
8485 return _IMP_core.add_rigid_body_cache_key(k)
8486 class RigidBodyMember(XYZ):
8487 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8491 def show(self, *args):
8492 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8493 return _IMP_core.RigidBodyMember_show(self, *args)
8495 def get_rigid_body(self):
8496 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8497 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8499 def get_internal_coordinates(self):
8500 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8501 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8503 def set_internal_coordinates(self, v):
8504 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8505 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8507 def set_internal_transformation(self, v):
8508 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8509 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8511 def get_internal_transformation(self):
8512 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8513 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8514 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8516 def set_coordinates(self, *args):
8518 set_coordinates(RigidBodyMember self, Vector3D center)
8519 set_coordinates(RigidBodyMember self, Transformation3D tr)
8521 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8523 def __init__(self, *args):
8525 __init__(RigidBodyMember self) -> RigidBodyMember
8526 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8527 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8528 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8530 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8533 def get_is_setup(*args):
8535 get_is_setup(_ParticleAdaptor p) -> bool
8536 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8538 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8541 def get_internal_coordinate_keys():
8542 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8543 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8546 def get_internal_rotation_keys():
8547 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8548 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8550 def add_attribute(self, *args):
8552 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8553 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8554 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8555 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8556 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8557 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8558 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8559 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8560 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8561 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8562 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8563 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8565 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8567 def get_value(self, *args):
8569 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8570 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8571 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8572 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8573 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8574 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8575 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8576 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8577 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8578 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8579 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8581 return _IMP_core.RigidBodyMember_get_value(self, *args)
8583 def set_value(self, *args):
8585 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8586 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8587 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8588 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8589 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8590 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8591 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8592 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8593 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8594 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8595 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8597 return _IMP_core.RigidBodyMember_set_value(self, *args)
8599 def remove_attribute(self, *args):
8601 remove_attribute(RigidBodyMember self, FloatKey a0)
8602 remove_attribute(RigidBodyMember self, IntKey a0)
8603 remove_attribute(RigidBodyMember self, FloatsKey a0)
8604 remove_attribute(RigidBodyMember self, IntsKey a0)
8605 remove_attribute(RigidBodyMember self, StringKey a0)
8606 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8607 remove_attribute(RigidBodyMember self, ObjectKey a0)
8608 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8609 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8610 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8611 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8613 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8615 def has_attribute(self, *args):
8617 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8618 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8619 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8620 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8621 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8622 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8623 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8624 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8625 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8626 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8627 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8629 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8631 def get_derivative(self, a0):
8632 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8633 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8636 r"""get_name(RigidBodyMember self) -> std::string"""
8637 return _IMP_core.RigidBodyMember_get_name(self)
8639 def clear_caches(self):
8640 r"""clear_caches(RigidBodyMember self)"""
8641 return _IMP_core.RigidBodyMember_clear_caches(self)
8643 def set_name(self, a0):
8644 r"""set_name(RigidBodyMember self, std::string a0)"""
8645 return _IMP_core.RigidBodyMember_set_name(self, a0)
8648 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8649 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8651 def add_to_derivative(self, a0, a1, a2):
8652 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8653 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8655 def set_is_optimized(self, a0, a1):
8656 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8657 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8659 def get_is_optimized(self, a0):
8660 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8661 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8664 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8665 return _IMP_core.RigidBodyMember_get_check_level(self)
8667 def __eq__(self, *args):
8669 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8670 __eq__(RigidBodyMember self, Particle d) -> bool
8672 return _IMP_core.RigidBodyMember___eq__(self, *args)
8674 def __ne__(self, *args):
8676 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8677 __ne__(RigidBodyMember self, Particle d) -> bool
8679 return _IMP_core.RigidBodyMember___ne__(self, *args)
8681 def __le__(self, *args):
8683 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8684 __le__(RigidBodyMember self, Particle d) -> bool
8686 return _IMP_core.RigidBodyMember___le__(self, *args)
8688 def __lt__(self, *args):
8690 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8691 __lt__(RigidBodyMember self, Particle d) -> bool
8693 return _IMP_core.RigidBodyMember___lt__(self, *args)
8695 def __ge__(self, *args):
8697 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8698 __ge__(RigidBodyMember self, Particle d) -> bool
8700 return _IMP_core.RigidBodyMember___ge__(self, *args)
8702 def __gt__(self, *args):
8704 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8705 __gt__(RigidBodyMember self, Particle d) -> bool
8707 return _IMP_core.RigidBodyMember___gt__(self, *args)
8710 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8711 return _IMP_core.RigidBodyMember___hash__(self)
8714 r"""__str__(RigidBodyMember self) -> std::string"""
8715 return _IMP_core.RigidBodyMember___str__(self)
8718 r"""__repr__(RigidBodyMember self) -> std::string"""
8719 return _IMP_core.RigidBodyMember___repr__(self)
8721 def _get_as_binary(self):
8722 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8723 return _IMP_core.RigidBodyMember__get_as_binary(self)
8725 def _set_from_binary(self, p):
8726 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8727 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8729 def __getstate__(self):
8730 p = self._get_as_binary()
8731 if len(self.__dict__) > 1:
8732 d = self.__dict__.copy()
8737 def __setstate__(self, p):
8738 if not hasattr(self,
'this'):
8740 if isinstance(p, tuple):
8742 self.__dict__.update(d)
8743 return self._set_from_binary(p)
8747 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8748 class RigidMember(RigidBodyMember):
8749 r"""Proxy of C++ IMP::core::RigidMember class."""
8751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8753 def show(self, *args):
8754 r"""show(RigidMember self, _ostream out=std::cout)"""
8755 return _IMP_core.RigidMember_show(self, *args)
8757 def __init__(self, *args):
8759 __init__(RigidMember self) -> RigidMember
8760 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8761 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8762 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8764 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8765 __swig_destroy__ = _IMP_core.delete_RigidMember
8768 def get_is_setup(*args):
8770 get_is_setup(_ParticleAdaptor p) -> bool
8771 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8773 return _IMP_core.RigidMember_get_is_setup(*args)
8775 def add_attribute(self, *args):
8777 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8778 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8779 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8780 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8781 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8782 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8783 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8784 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8785 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8786 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8787 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8788 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8790 return _IMP_core.RigidMember_add_attribute(self, *args)
8792 def get_value(self, *args):
8794 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8795 get_value(RigidMember self, IntKey a0) -> IMP::Int
8796 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8797 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8798 get_value(RigidMember self, StringKey a0) -> IMP::String
8799 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8800 get_value(RigidMember self, ObjectKey a0) -> Object
8801 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8802 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8803 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8804 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8806 return _IMP_core.RigidMember_get_value(self, *args)
8808 def set_value(self, *args):
8810 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8811 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8812 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8813 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8814 set_value(RigidMember self, StringKey a0, IMP::String a1)
8815 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8816 set_value(RigidMember self, ObjectKey a0, Object a1)
8817 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8818 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8819 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8820 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8822 return _IMP_core.RigidMember_set_value(self, *args)
8824 def remove_attribute(self, *args):
8826 remove_attribute(RigidMember self, FloatKey a0)
8827 remove_attribute(RigidMember self, IntKey a0)
8828 remove_attribute(RigidMember self, FloatsKey a0)
8829 remove_attribute(RigidMember self, IntsKey a0)
8830 remove_attribute(RigidMember self, StringKey a0)
8831 remove_attribute(RigidMember self, ParticleIndexKey a0)
8832 remove_attribute(RigidMember self, ObjectKey a0)
8833 remove_attribute(RigidMember self, SparseFloatKey a0)
8834 remove_attribute(RigidMember self, SparseIntKey a0)
8835 remove_attribute(RigidMember self, SparseStringKey a0)
8836 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8838 return _IMP_core.RigidMember_remove_attribute(self, *args)
8840 def has_attribute(self, *args):
8842 has_attribute(RigidMember self, FloatKey a0) -> bool
8843 has_attribute(RigidMember self, IntKey a0) -> bool
8844 has_attribute(RigidMember self, FloatsKey a0) -> bool
8845 has_attribute(RigidMember self, IntsKey a0) -> bool
8846 has_attribute(RigidMember self, StringKey a0) -> bool
8847 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8848 has_attribute(RigidMember self, ObjectKey a0) -> bool
8849 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8850 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8851 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8852 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8854 return _IMP_core.RigidMember_has_attribute(self, *args)
8856 def get_derivative(self, a0):
8857 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8858 return _IMP_core.RigidMember_get_derivative(self, a0)
8861 r"""get_name(RigidMember self) -> std::string"""
8862 return _IMP_core.RigidMember_get_name(self)
8864 def clear_caches(self):
8865 r"""clear_caches(RigidMember self)"""
8866 return _IMP_core.RigidMember_clear_caches(self)
8868 def set_name(self, a0):
8869 r"""set_name(RigidMember self, std::string a0)"""
8870 return _IMP_core.RigidMember_set_name(self, a0)
8873 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8874 return _IMP_core.RigidMember_set_check_level(self, a0)
8876 def add_to_derivative(self, a0, a1, a2):
8877 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8878 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8880 def set_is_optimized(self, a0, a1):
8881 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8882 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8884 def get_is_optimized(self, a0):
8885 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8886 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8889 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8890 return _IMP_core.RigidMember_get_check_level(self)
8892 def __eq__(self, *args):
8894 __eq__(RigidMember self, RigidMember o) -> bool
8895 __eq__(RigidMember self, Particle d) -> bool
8897 return _IMP_core.RigidMember___eq__(self, *args)
8899 def __ne__(self, *args):
8901 __ne__(RigidMember self, RigidMember o) -> bool
8902 __ne__(RigidMember self, Particle d) -> bool
8904 return _IMP_core.RigidMember___ne__(self, *args)
8906 def __le__(self, *args):
8908 __le__(RigidMember self, RigidMember o) -> bool
8909 __le__(RigidMember self, Particle d) -> bool
8911 return _IMP_core.RigidMember___le__(self, *args)
8913 def __lt__(self, *args):
8915 __lt__(RigidMember self, RigidMember o) -> bool
8916 __lt__(RigidMember self, Particle d) -> bool
8918 return _IMP_core.RigidMember___lt__(self, *args)
8920 def __ge__(self, *args):
8922 __ge__(RigidMember self, RigidMember o) -> bool
8923 __ge__(RigidMember self, Particle d) -> bool
8925 return _IMP_core.RigidMember___ge__(self, *args)
8927 def __gt__(self, *args):
8929 __gt__(RigidMember self, RigidMember o) -> bool
8930 __gt__(RigidMember self, Particle d) -> bool
8932 return _IMP_core.RigidMember___gt__(self, *args)
8935 r"""__hash__(RigidMember self) -> std::size_t"""
8936 return _IMP_core.RigidMember___hash__(self)
8939 r"""__str__(RigidMember self) -> std::string"""
8940 return _IMP_core.RigidMember___str__(self)
8943 r"""__repr__(RigidMember self) -> std::string"""
8944 return _IMP_core.RigidMember___repr__(self)
8946 def _get_as_binary(self):
8947 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8948 return _IMP_core.RigidMember__get_as_binary(self)
8950 def _set_from_binary(self, p):
8951 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8952 return _IMP_core.RigidMember__set_from_binary(self, p)
8954 def __getstate__(self):
8955 p = self._get_as_binary()
8956 if len(self.__dict__) > 1:
8957 d = self.__dict__.copy()
8962 def __setstate__(self, p):
8963 if not hasattr(self,
'this'):
8965 if isinstance(p, tuple):
8967 self.__dict__.update(d)
8968 return self._set_from_binary(p)
8972 _IMP_core.RigidMember_swigregister(RigidMember)
8973 class NonRigidMember(RigidBodyMember):
8974 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8978 def show(self, *args):
8979 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8980 return _IMP_core.NonRigidMember_show(self, *args)
8982 def __init__(self, *args):
8984 __init__(NonRigidMember self) -> NonRigidMember
8985 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8986 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8987 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8989 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8990 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8993 def get_is_setup(*args):
8995 get_is_setup(_ParticleAdaptor p) -> bool
8996 get_is_setup(Model m, ParticleIndex p) -> bool
8998 return _IMP_core.NonRigidMember_get_is_setup(*args)
9000 def add_to_internal_derivatives(self, deriv_parent, da):
9001 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9002 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9004 def add_to_internal_rotational_derivatives(self, *args):
9006 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
9007 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
9009 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
9011 def get_internal_derivatives(self):
9012 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9013 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9015 def get_internal_rotational_derivatives(self):
9016 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9017 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9019 def add_attribute(self, *args):
9021 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9022 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9023 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9024 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9025 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9026 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9027 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9028 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9029 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9030 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9031 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9032 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9034 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9036 def get_value(self, *args):
9038 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9039 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9040 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9041 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9042 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9043 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9044 get_value(NonRigidMember self, ObjectKey a0) -> Object
9045 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9046 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9047 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9048 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9050 return _IMP_core.NonRigidMember_get_value(self, *args)
9052 def set_value(self, *args):
9054 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9055 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9056 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9057 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9058 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9059 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9060 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9061 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9062 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9063 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9064 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9066 return _IMP_core.NonRigidMember_set_value(self, *args)
9068 def remove_attribute(self, *args):
9070 remove_attribute(NonRigidMember self, FloatKey a0)
9071 remove_attribute(NonRigidMember self, IntKey a0)
9072 remove_attribute(NonRigidMember self, FloatsKey a0)
9073 remove_attribute(NonRigidMember self, IntsKey a0)
9074 remove_attribute(NonRigidMember self, StringKey a0)
9075 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9076 remove_attribute(NonRigidMember self, ObjectKey a0)
9077 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9078 remove_attribute(NonRigidMember self, SparseIntKey a0)
9079 remove_attribute(NonRigidMember self, SparseStringKey a0)
9080 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9082 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9084 def has_attribute(self, *args):
9086 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9087 has_attribute(NonRigidMember self, IntKey a0) -> bool
9088 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9089 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9090 has_attribute(NonRigidMember self, StringKey a0) -> bool
9091 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9092 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9093 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9094 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9095 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9096 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9098 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9100 def get_derivative(self, a0):
9101 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9102 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9105 r"""get_name(NonRigidMember self) -> std::string"""
9106 return _IMP_core.NonRigidMember_get_name(self)
9108 def clear_caches(self):
9109 r"""clear_caches(NonRigidMember self)"""
9110 return _IMP_core.NonRigidMember_clear_caches(self)
9112 def set_name(self, a0):
9113 r"""set_name(NonRigidMember self, std::string a0)"""
9114 return _IMP_core.NonRigidMember_set_name(self, a0)
9117 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9118 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9120 def add_to_derivative(self, a0, a1, a2):
9121 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9122 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9124 def set_is_optimized(self, a0, a1):
9125 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9126 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9128 def get_is_optimized(self, a0):
9129 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9130 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9133 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9134 return _IMP_core.NonRigidMember_get_check_level(self)
9136 def __eq__(self, *args):
9138 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9139 __eq__(NonRigidMember self, Particle d) -> bool
9141 return _IMP_core.NonRigidMember___eq__(self, *args)
9143 def __ne__(self, *args):
9145 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9146 __ne__(NonRigidMember self, Particle d) -> bool
9148 return _IMP_core.NonRigidMember___ne__(self, *args)
9150 def __le__(self, *args):
9152 __le__(NonRigidMember self, NonRigidMember o) -> bool
9153 __le__(NonRigidMember self, Particle d) -> bool
9155 return _IMP_core.NonRigidMember___le__(self, *args)
9157 def __lt__(self, *args):
9159 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9160 __lt__(NonRigidMember self, Particle d) -> bool
9162 return _IMP_core.NonRigidMember___lt__(self, *args)
9164 def __ge__(self, *args):
9166 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9167 __ge__(NonRigidMember self, Particle d) -> bool
9169 return _IMP_core.NonRigidMember___ge__(self, *args)
9171 def __gt__(self, *args):
9173 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9174 __gt__(NonRigidMember self, Particle d) -> bool
9176 return _IMP_core.NonRigidMember___gt__(self, *args)
9179 r"""__hash__(NonRigidMember self) -> std::size_t"""
9180 return _IMP_core.NonRigidMember___hash__(self)
9183 r"""__str__(NonRigidMember self) -> std::string"""
9184 return _IMP_core.NonRigidMember___str__(self)
9187 r"""__repr__(NonRigidMember self) -> std::string"""
9188 return _IMP_core.NonRigidMember___repr__(self)
9190 def _get_as_binary(self):
9191 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9192 return _IMP_core.NonRigidMember__get_as_binary(self)
9194 def _set_from_binary(self, p):
9195 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9196 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9198 def __getstate__(self):
9199 p = self._get_as_binary()
9200 if len(self.__dict__) > 1:
9201 d = self.__dict__.copy()
9206 def __setstate__(self, p):
9207 if not hasattr(self,
'this'):
9209 if isinstance(p, tuple):
9211 self.__dict__.update(d)
9212 return self._set_from_binary(p)
9216 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9218 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9220 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9222 def __init__(self, *args):
9223 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9224 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9226 def do_get_inputs(self, m, pis):
9227 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9228 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9230 def get_version_info(self):
9231 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9232 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9233 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9236 r"""__str__(RigidMembersRefiner self) -> std::string"""
9237 return _IMP_core.RigidMembersRefiner___str__(self)
9240 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9241 return _IMP_core.RigidMembersRefiner___repr__(self)
9245 return _object_cast_to_RigidMembersRefiner(o)
9249 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9251 def get_rigid_members_refiner():
9252 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9253 return _IMP_core.get_rigid_members_refiner()
9257 transform(XYZ a, Transformation3D tr)
9258 transform(RigidBody a, Transformation3D tr)
9260 return _IMP_core.transform(*args)
9264 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9265 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9267 return _IMP_core.get_initial_reference_frame(*args)
9270 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9271 return _IMP_core.create_rigid_bodies(m, n, no_members)
9274 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9275 return _IMP_core.show_rigid_body_hierarchy(*args)
9278 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9279 return _IMP_core.get_root_rigid_body(m)
9281 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9285 def __init__(self, *args):
9286 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9287 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9289 def do_get_inputs(self, m, pis):
9290 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9291 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9293 def do_get_outputs(self, m, pis):
9294 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9295 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9297 def get_version_info(self):
9298 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9299 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9300 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9303 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9304 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9307 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9308 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9312 return _object_cast_to__UpdateRigidBodyMembers(o)
9316 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9318 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9322 def __init__(self, *args):
9323 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9324 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9326 def do_get_inputs(self, m, pis):
9327 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9328 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9330 def do_get_outputs(self, m, pis):
9331 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9332 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9334 def get_version_info(self):
9335 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9336 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9337 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9340 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9341 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9344 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9345 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9349 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9353 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9355 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9357 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9359 def __init__(self, *args):
9360 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9361 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9363 def do_get_inputs(self, m, pis):
9364 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9365 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9367 def do_get_outputs(self, m, pis):
9368 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9369 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9371 def get_version_info(self):
9372 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9373 return _IMP_core._NormalizeRotation_get_version_info(self)
9374 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9377 r"""__str__(_NormalizeRotation self) -> std::string"""
9378 return _IMP_core._NormalizeRotation___str__(self)
9381 r"""__repr__(_NormalizeRotation self) -> std::string"""
9382 return _IMP_core._NormalizeRotation___repr__(self)
9386 return _object_cast_to__NormalizeRotation(o)
9390 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9392 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9394 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9396 def __init__(self, *args, **kwargs):
9397 raise AttributeError(
"No constructor defined - class is abstract")
9399 def get_before_modifier(self):
9400 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9401 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9403 def get_container(self):
9404 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9405 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9407 def get_version_info(self):
9408 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9409 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9410 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9413 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9414 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9417 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9418 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9422 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9426 from IMP.algebra._jax_util
import _quaternion_normalize
9428 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9431 allrbs = jm[
'rigid_bodies']
9432 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9434 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9438 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9440 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9442 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9444 def __init__(self, *args, **kwargs):
9445 raise AttributeError(
"No constructor defined - class is abstract")
9447 def get_version_info(self):
9448 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9449 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9450 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9452 def get_before_modifier(self):
9453 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9454 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9456 def get_after_modifier(self):
9457 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9458 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9461 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9462 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9465 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9466 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9469 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9470 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9474 return _object_cast_to__RigidBodyPositionConstraint(o)
9481 bodies = jm[
'rigid_bodies'].bodies
9486 jm = body.update_members(jm)
9488 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9492 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9494 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9498 def __init__(self, rb, constituents):
9499 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9500 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9502 def get_version_info(self):
9503 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9504 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9505 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9508 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9509 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9512 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9513 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9517 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9521 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9523 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9527 def __init__(self, *args):
9529 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9530 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9532 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9534 def get_version_info(self):
9535 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9536 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9537 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9540 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9541 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9544 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9545 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9549 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9553 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9555 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9557 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9559 def __init__(self, sc):
9560 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9561 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9563 def get_version_info(self):
9564 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9565 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9566 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9569 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9570 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9573 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9574 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9578 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9582 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9584 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9586 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9588 def __init__(self, *args):
9590 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9591 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9593 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9595 def get_version_info(self):
9596 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9597 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9598 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9601 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9602 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9605 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9606 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9610 return _object_cast_to_RigidBodyFrameGeometry(o)
9614 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9616 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9618 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9620 def __init__(self, sc):
9621 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9622 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9624 def get_version_info(self):
9625 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9626 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9627 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9630 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9631 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9634 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9635 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9639 return _object_cast_to_RigidBodyFramesGeometry(o)
9643 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9645 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9647 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9649 def __init__(self, p):
9650 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9651 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9654 r"""__str__(RigidBodyTorque self) -> std::string"""
9655 return _IMP_core.RigidBodyTorque___str__(self)
9658 r"""__repr__(RigidBodyTorque self) -> std::string"""
9659 return _IMP_core.RigidBodyTorque___repr__(self)
9663 return _object_cast_to_RigidBodyTorque(o)
9665 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9668 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9669 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9670 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9675 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9676 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9678 def get_close_pairs(self, *args):
9680 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9681 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9682 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9683 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9685 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9687 def do_get_inputs(self, m, pis):
9688 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9689 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9691 def get_version_info(self):
9692 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9693 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9694 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9697 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9698 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9701 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9702 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9706 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9710 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9712 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9716 def __init__(self, *args):
9718 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9719 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9720 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9722 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9724 def do_add_score_and_derivatives(self, sa, ss):
9725 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9726 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9728 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9729 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)"""
9730 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9732 def do_get_inputs(self):
9733 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9734 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9736 def get_restraints(self):
9737 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9738 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9740 def set_restraints(self, d):
9741 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9742 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9744 def get_number_of_restraints(self):
9745 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9746 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9748 def clear_restraints(self):
9749 r"""clear_restraints(RestraintsScoringFunction self)"""
9750 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9752 def get_restraint(self, i):
9753 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9754 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9756 def erase_restraint(self, i):
9757 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9758 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9761 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9762 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9765 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9766 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9768 def _python_index_restraint(self, r, start, stop):
9769 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9770 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9771 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)
9772 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9773 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9774 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9776 def get_version_info(self):
9777 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9778 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9779 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9782 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9783 return _IMP_core.RestraintsScoringFunction___str__(self)
9786 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9787 return _IMP_core.RestraintsScoringFunction___repr__(self)
9791 return _object_cast_to_RestraintsScoringFunction(o)
9794 def _get_as_binary(self):
9795 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9796 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9798 def _set_from_binary(self, p):
9799 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9800 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9802 def __getstate__(self):
9803 p = self._get_as_binary()
9804 if len(self.__dict__) > 1:
9805 d = self.__dict__.copy()
9810 def __setstate__(self, p):
9811 if not hasattr(self,
'this'):
9813 if isinstance(p, tuple):
9815 self.__dict__.update(d)
9816 return self._set_from_binary(p)
9820 import IMP._jax_util
9821 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9822 funcs = [j.score_func
for j
in jis]
9823 keys = frozenset(x
for j
in jis
for x
in j._keys)
9825 return sum(f(jm)
for f
in funcs)
9826 return IMP._jax_util.JAXRestraintInfo(
9827 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9831 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9832 class RigidClosePairsFinder(ClosePairsFinder):
9833 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9835 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9837 def __init__(self, cpf=None):
9838 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9839 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9841 def do_get_inputs(self, m, pis):
9842 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9843 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9845 def get_close_pairs(self, *args):
9847 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9848 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9849 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9850 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9851 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9853 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9855 def get_version_info(self):
9856 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9857 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9858 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9861 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9862 return _IMP_core.RigidClosePairsFinder___str__(self)
9865 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9866 return _IMP_core.RigidClosePairsFinder___repr__(self)
9870 return _object_cast_to_RigidClosePairsFinder(o)
9873 def _get_as_binary(self):
9874 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9875 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9877 def _set_from_binary(self, p):
9878 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9879 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9881 def __getstate__(self):
9882 p = self._get_as_binary()
9883 if len(self.__dict__) > 1:
9884 d = self.__dict__.copy()
9889 def __setstate__(self, p):
9890 if not hasattr(self,
'this'):
9892 if isinstance(p, tuple):
9894 self.__dict__.update(d)
9895 return self._set_from_binary(p)
9899 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9901 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9903 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9904 __repr__ = _swig_repr
9906 def __init__(self, *args):
9908 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9909 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9911 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9913 def do_get_inputs(self, m, pis):
9914 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9915 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9917 def get_score_functor(self, *args):
9919 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9920 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9922 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9924 def get_version_info(self):
9925 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9926 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9927 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9931 return _object_cast_to__SphereDistancePairScore(o)
9934 def _get_as_binary(self):
9935 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9936 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9938 def _set_from_binary(self, p):
9939 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9940 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9942 def __getstate__(self):
9943 p = self._get_as_binary()
9944 if len(self.__dict__) > 1:
9945 d = self.__dict__.copy()
9950 def __setstate__(self, p):
9951 if not hasattr(self,
'this'):
9953 if isinstance(p, tuple):
9955 self.__dict__.update(d)
9956 return self._set_from_binary(p)
9959 def _get_jax(self, m, indexes):
9960 import jax.numpy
as jnp
9961 def jax_score(jm, uf):
9962 xyzs = jm[
'xyz'][indexes]
9963 rs = jm[
'r'][indexes]
9964 diff = xyzs[:,0] - xyzs[:,1]
9965 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9967 sfnc = self.get_score_functor()
9968 uf = sfnc.get_unary_function().get_derived_object()
9969 f = functools.partial(jax_score, uf=uf._get_jax())
9970 return self._wrap_jax(m, f)
9974 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9975 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9976 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9980 def __init__(self, *args):
9982 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9983 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9985 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9987 def do_get_inputs(self, m, pis):
9988 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9989 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9991 def get_score_functor(self, *args):
9993 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9994 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9996 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9999 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10000 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10003 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10004 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10006 def get_version_info(self):
10007 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10008 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10009 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10012 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10013 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10015 def __repr__(self):
10016 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10017 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10021 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10024 def _get_as_binary(self):
10025 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10026 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10028 def _set_from_binary(self, p):
10029 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10030 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10032 def __getstate__(self):
10033 p = self._get_as_binary()
10034 if len(self.__dict__) > 1:
10035 d = self.__dict__.copy()
10040 def __setstate__(self, p):
10041 if not hasattr(self,
'this'):
10043 if isinstance(p, tuple):
10045 self.__dict__.update(d)
10046 return self._set_from_binary(p)
10049 def _get_jax(self, m, indexes):
10050 import jax.numpy
as jnp
10052 def jax_score(jm, d, k):
10053 xyzs = jm[
'xyz'][indexes]
10054 rs = jm[
'r'][indexes]
10055 diff = xyzs[:,0] - xyzs[:,1]
10056 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10057 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10058 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10059 return self._wrap_jax(m, f)
10063 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10064 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10065 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10069 def __init__(self, d0, k):
10070 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10071 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10073 def get_rest_length(self):
10074 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10075 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10077 def get_stiffness(self):
10078 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10079 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10081 def do_get_inputs(self, m, pis):
10082 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10083 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10085 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10086 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"""
10087 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10089 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10090 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"""
10091 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10093 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10094 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"""
10095 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10097 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10098 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"""
10099 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10101 def get_version_info(self):
10102 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10103 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10104 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10107 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10108 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10110 def __repr__(self):
10111 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10112 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10116 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10120 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10122 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10124 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10126 def __init__(self, *args):
10128 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10129 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10131 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10133 def do_get_inputs(self, m, pis):
10134 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10135 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10137 def get_score_functor(self, *args):
10139 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10140 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10142 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10145 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10146 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10149 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10150 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10152 def get_version_info(self):
10153 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10154 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10155 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10158 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10159 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10161 def __repr__(self):
10162 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10163 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10167 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10170 def _get_as_binary(self):
10171 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10172 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10174 def _set_from_binary(self, p):
10175 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10176 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10178 def __getstate__(self):
10179 p = self._get_as_binary()
10180 if len(self.__dict__) > 1:
10181 d = self.__dict__.copy()
10186 def __setstate__(self, p):
10187 if not hasattr(self,
'this'):
10189 if isinstance(p, tuple):
10191 self.__dict__.update(d)
10192 return self._set_from_binary(p)
10195 def _get_jax(self, m, indexes):
10196 import jax.numpy
as jnp
10197 def jax_score(jm, d, k):
10198 xyzs = jm[
'xyz'][indexes]
10199 rs = jm[
'r'][indexes]
10200 diff = xyzs[:,0] - xyzs[:,1]
10201 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10202 return 0.5 * k * (d - drs)**2
10203 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10204 return self._wrap_jax(m, f)
10208 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10210 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10214 def __init__(self, *args):
10215 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10216 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10218 def do_get_inputs(self, m, pis):
10219 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10220 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10222 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10223 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"""
10224 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10226 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10227 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"""
10228 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10230 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10231 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"""
10232 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10234 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10235 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"""
10236 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10238 def get_version_info(self):
10239 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10240 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10241 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10244 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10245 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10247 def __repr__(self):
10248 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10249 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10253 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10257 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10259 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10263 def __init__(self, *args):
10264 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10265 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10267 def do_get_inputs(self, m, pis):
10268 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10269 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10271 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10272 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"""
10273 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10275 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10276 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"""
10277 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10279 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10280 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"""
10281 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10283 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10284 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"""
10285 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10287 def get_version_info(self):
10288 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10289 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10290 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10293 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10294 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10296 def __repr__(self):
10297 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10298 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10302 return _object_cast_to_WeightedSphereDistancePairScore(o)
10306 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10308 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10310 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10312 def __init__(self, *args):
10314 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10315 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10317 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10319 def do_get_inputs(self, m, pis):
10320 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10321 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10323 def get_score_functor(self, *args):
10325 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10326 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10328 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10331 r"""get_k(SoftSpherePairScore self) -> double"""
10332 return _IMP_core.SoftSpherePairScore_get_k(self)
10334 def get_version_info(self):
10335 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10336 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10337 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10340 r"""__str__(SoftSpherePairScore self) -> std::string"""
10341 return _IMP_core.SoftSpherePairScore___str__(self)
10343 def __repr__(self):
10344 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10345 return _IMP_core.SoftSpherePairScore___repr__(self)
10349 return _object_cast_to_SoftSpherePairScore(o)
10352 def _get_as_binary(self):
10353 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10354 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10356 def _set_from_binary(self, p):
10357 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10358 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10360 def __getstate__(self):
10361 p = self._get_as_binary()
10362 if len(self.__dict__) > 1:
10363 d = self.__dict__.copy()
10368 def __setstate__(self, p):
10369 if not hasattr(self,
'this'):
10371 if isinstance(p, tuple):
10373 self.__dict__.update(d)
10374 return self._set_from_binary(p)
10377 def _get_jax(self, m, indexes):
10378 import jax.numpy
as jnp
10380 def jax_score(jm, k):
10381 xyzs = jm[
'xyz'][indexes]
10382 rs = jm[
'r'][indexes]
10383 diff = xyzs[:,0] - xyzs[:,1]
10384 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10385 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10386 f = functools.partial(jax_score, k=self.get_k())
10387 return self._wrap_jax(m, f)
10391 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10393 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10397 def __init__(self, *args):
10398 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10399 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10401 def do_get_inputs(self, m, pis):
10402 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10403 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10405 def get_version_info(self):
10406 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10407 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10408 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10411 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10412 return _IMP_core.SurfaceDistancePairScore___str__(self)
10414 def __repr__(self):
10415 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10416 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10420 return _object_cast_to_SurfaceDistancePairScore(o)
10424 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10426 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10430 def __init__(self, *args):
10431 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10432 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10434 def do_get_inputs(self, m, pis):
10435 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10436 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10438 def get_version_info(self):
10439 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10440 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10441 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10444 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10445 return _IMP_core.SurfaceHeightPairScore___str__(self)
10447 def __repr__(self):
10448 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10449 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10453 return _object_cast_to_SurfaceHeightPairScore(o)
10457 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10459 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10463 def __init__(self, *args):
10464 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10465 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10467 def do_get_inputs(self, m, pis):
10468 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10469 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10471 def get_version_info(self):
10472 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10473 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10474 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10477 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10478 return _IMP_core.SurfaceDepthPairScore___str__(self)
10480 def __repr__(self):
10481 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10482 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10486 return _object_cast_to_SurfaceDepthPairScore(o)
10490 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10492 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10496 def __init__(self, *args):
10497 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10498 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10500 def do_get_inputs(self, m, pis):
10501 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10502 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10504 def get_version_info(self):
10505 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10506 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10507 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10510 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10511 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10513 def __repr__(self):
10514 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10515 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10519 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10523 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10525 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10529 def __init__(self, *args):
10530 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10531 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10533 def do_get_inputs(self, m, pis):
10534 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10535 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10537 def get_version_info(self):
10538 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10539 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10540 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10543 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10544 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10546 def __repr__(self):
10547 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10548 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10552 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10556 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10558 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10560 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10562 def __init__(self, *args):
10563 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10564 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10566 def do_get_inputs(self, m, pis):
10567 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10568 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10570 def get_version_info(self):
10571 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10572 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10573 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10576 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10577 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10579 def __repr__(self):
10580 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10581 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10585 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10589 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10591 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10595 def __init__(self, *args):
10596 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10597 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10599 def do_get_inputs(self, m, pis):
10600 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10601 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10603 def get_version_info(self):
10604 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10605 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10606 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10609 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10610 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10612 def __repr__(self):
10613 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10614 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10618 return _object_cast_to_SoftSuperSurfacePairScore(o)
10622 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10624 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10626 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10628 def __init__(self, *args):
10629 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10630 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10632 def do_get_inputs(self, m, pis):
10633 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10634 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10636 def get_version_info(self):
10637 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10638 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10639 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10642 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10643 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10645 def __repr__(self):
10646 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10647 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10651 return _object_cast_to_SoftSubSurfacePairScore(o)
10655 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10657 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10661 def __init__(self, link_num, link_length):
10662 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10663 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10665 def get_version_info(self):
10666 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10667 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10668 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10670 def get_link_number(self):
10671 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10672 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10674 def get_link_length(self):
10675 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10676 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10678 def set_link_number(self, N):
10679 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10680 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10682 def set_link_length(self, b):
10683 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10684 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10686 def get_distance_at_minimum(self):
10687 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10688 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10690 def get_average_distance(self):
10691 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10692 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10695 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10696 return _IMP_core.SurfaceTetheredChain___str__(self)
10698 def __repr__(self):
10699 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10700 return _IMP_core.SurfaceTetheredChain___repr__(self)
10704 return _object_cast_to_SurfaceTetheredChain(o)
10708 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10710 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10712 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10714 def __init__(self, m, ss, rbs):
10715 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10716 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10718 def do_get_inputs(self):
10719 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10720 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10722 def do_get_outputs(self):
10723 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10724 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10726 def get_version_info(self):
10727 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10728 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10729 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10732 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10733 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10735 def __repr__(self):
10736 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10737 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10741 return _object_cast_to_SurfaceSymmetryConstraint(o)
10745 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10747 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10749 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10751 def __init__(self, *args):
10752 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10753 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10755 def do_optimize(self, max_steps):
10756 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10757 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10759 def get_version_info(self):
10760 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10761 return _IMP_core.SteepestDescent_get_version_info(self)
10762 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10764 def set_threshold(self, t):
10765 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10766 return _IMP_core.SteepestDescent_set_threshold(self, t)
10768 def set_step_size(self, t):
10769 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10770 return _IMP_core.SteepestDescent_set_step_size(self, t)
10772 def set_maximum_step_size(self, t):
10773 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10774 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10777 r"""__str__(SteepestDescent self) -> std::string"""
10778 return _IMP_core.SteepestDescent___str__(self)
10780 def __repr__(self):
10781 r"""__repr__(SteepestDescent self) -> std::string"""
10782 return _IMP_core.SteepestDescent___repr__(self)
10786 return _object_cast_to_SteepestDescent(o)
10790 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10792 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10794 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10796 def __init__(self, f, transformation):
10797 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10798 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10800 def set_transformation(self, rot):
10801 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10802 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10804 def do_get_inputs(self, m, pis):
10805 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10806 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10808 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10809 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"""
10810 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10812 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10813 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"""
10814 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10816 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10817 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"""
10818 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10820 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10821 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"""
10822 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10824 def get_version_info(self):
10825 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10826 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10827 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10830 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10831 return _IMP_core.TransformedDistancePairScore___str__(self)
10833 def __repr__(self):
10834 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10835 return _IMP_core.TransformedDistancePairScore___repr__(self)
10839 return _object_cast_to_TransformedDistancePairScore(o)
10843 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10845 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10847 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10849 def __init__(self, typekey, allow_invalid_types=True):
10850 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10851 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10853 def set_particle_type(self, arg2):
10854 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10855 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10857 def set_pair_score(self, ps, atype, btype):
10858 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10859 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10861 def do_get_inputs(self, m, pis):
10862 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10863 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10865 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10866 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"""
10867 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10869 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10870 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"""
10871 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10873 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10874 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"""
10875 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10877 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10878 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"""
10879 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10881 def get_version_info(self):
10882 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10883 return _IMP_core.TypedPairScore_get_version_info(self)
10884 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10887 r"""__str__(TypedPairScore self) -> std::string"""
10888 return _IMP_core.TypedPairScore___str__(self)
10890 def __repr__(self):
10891 r"""__repr__(TypedPairScore self) -> std::string"""
10892 return _IMP_core.TypedPairScore___repr__(self)
10896 return _object_cast_to_TypedPairScore(o)
10900 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10901 class RigidBodyDistancePairScore(KClosePairsPairScore):
10902 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10904 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10906 def __init__(self, ps, r):
10907 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10908 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10911 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10912 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10914 def __repr__(self):
10915 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10916 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10920 return _object_cast_to_RigidBodyDistancePairScore(o)
10922 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10925 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10927 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10931 def __init__(self, f):
10932 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10933 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10935 def do_get_inputs(self, m, pis):
10936 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10937 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10939 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10940 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"""
10941 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10943 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10944 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"""
10945 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10947 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10948 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"""
10949 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10951 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10952 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"""
10953 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10955 def get_version_info(self):
10956 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10957 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10958 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10961 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10962 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10964 def __repr__(self):
10965 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10966 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10970 return _object_cast_to_RigidBodyAnglePairScore(o)
10974 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10976 r"""Proxy of C++ IMP::core::TableRefiner class."""
10978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10980 def __init__(self):
10981 r"""__init__(TableRefiner self) -> TableRefiner"""
10982 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10985 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10986 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10988 def remove_particle(self, p):
10989 r"""remove_particle(TableRefiner self, Particle p)"""
10990 return _IMP_core.TableRefiner_remove_particle(self, p)
10992 def set_particle(self, p, ps):
10993 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10994 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10996 def do_get_inputs(self, m, pis):
10997 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10998 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11000 def get_version_info(self):
11001 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11002 return _IMP_core.TableRefiner_get_version_info(self)
11003 __swig_destroy__ = _IMP_core.delete_TableRefiner
11006 r"""__str__(TableRefiner self) -> std::string"""
11007 return _IMP_core.TableRefiner___str__(self)
11009 def __repr__(self):
11010 r"""__repr__(TableRefiner self) -> std::string"""
11011 return _IMP_core.TableRefiner___repr__(self)
11015 return _object_cast_to_TableRefiner(o)
11019 _IMP_core.TableRefiner_swigregister(TableRefiner)
11020 LOWER = _IMP_core.LOWER
11022 BOTH = _IMP_core.BOTH
11024 UPPER = _IMP_core.UPPER
11027 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11029 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11031 def __init__(self, *args):
11032 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11033 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11035 def set_bounding_box(self, bb):
11036 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11037 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11039 def set_number_of_attempts(self, att):
11040 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11041 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11043 def set_number_of_monte_carlo_steps(self, cg):
11044 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11045 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11047 def set_number_of_conjugate_gradient_steps(self, cg):
11048 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11049 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11051 def set_max_monte_carlo_step_size(self, *args):
11053 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11054 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11056 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11058 def set_is_refining(self, tf):
11059 r"""set_is_refining(MCCGSampler self, bool tf)"""
11060 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11062 def set_local_optimizer(self, opt):
11063 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11064 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11066 def set_save_rejected_configurations(self, tf):
11067 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11068 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11070 def get_rejected_configurations(self):
11071 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11072 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11073 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)
11074 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11075 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11076 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11078 def remove_optimizer_state(self, d):
11079 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11080 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11082 def _python_index_optimizer_state(self, d, start, stop):
11083 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11084 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11086 def remove_optimizer_states(self, d):
11087 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11088 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11090 def set_optimizer_states(self, ps):
11091 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11092 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11094 def set_optimizer_states_order(self, objs):
11095 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11096 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11098 def add_optimizer_state(self, obj):
11099 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11100 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11102 def add_optimizer_states(self, objs):
11103 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11104 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11106 def clear_optimizer_states(self):
11107 r"""clear_optimizer_states(MCCGSampler self)"""
11108 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11110 def get_number_of_optimizer_states(self):
11111 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11112 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11114 def get_has_optimizer_states(self):
11115 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11116 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11118 def get_optimizer_state(self, i):
11119 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11120 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11122 def get_optimizer_states(self):
11123 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11124 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11126 def erase_optimizer_state(self, i):
11127 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11128 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11130 def reserve_optimizer_states(self, sz):
11131 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11132 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11134 def do_sample(self):
11135 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11136 return _IMP_core.MCCGSampler_do_sample(self)
11138 def get_version_info(self):
11139 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11140 return _IMP_core.MCCGSampler_get_version_info(self)
11141 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11144 r"""__str__(MCCGSampler self) -> std::string"""
11145 return _IMP_core.MCCGSampler___str__(self)
11147 def __repr__(self):
11148 r"""__repr__(MCCGSampler self) -> std::string"""
11149 return _IMP_core.MCCGSampler___repr__(self)
11153 return _object_cast_to_MCCGSampler(o)
11157 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11159 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11161 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11163 def __init__(self, *args):
11164 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11165 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11167 def do_get_inputs(self):
11168 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11169 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11171 def get_version_info(self):
11172 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11173 return _IMP_core.MinimumRestraint_get_version_info(self)
11174 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11175 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)
11176 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11177 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11178 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11180 def remove_restraint(self, d):
11181 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11182 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11184 def _python_index_restraint(self, d, start, stop):
11185 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11186 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11188 def remove_restraints(self, d):
11189 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11190 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11192 def set_restraints(self, ps):
11193 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11194 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11196 def set_restraints_order(self, objs):
11197 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11198 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11201 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11202 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11205 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11206 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11208 def clear_restraints(self):
11209 r"""clear_restraints(MinimumRestraint self)"""
11210 return _IMP_core.MinimumRestraint_clear_restraints(self)
11212 def get_number_of_restraints(self):
11213 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11214 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11216 def get_has_restraints(self):
11217 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11218 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11220 def get_restraint(self, i):
11221 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11222 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11224 def get_restraints(self):
11225 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11226 return _IMP_core.MinimumRestraint_get_restraints(self)
11228 def erase_restraint(self, i):
11229 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11230 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11232 def reserve_restraints(self, sz):
11233 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11234 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11237 r"""__str__(MinimumRestraint self) -> std::string"""
11238 return _IMP_core.MinimumRestraint___str__(self)
11240 def __repr__(self):
11241 r"""__repr__(MinimumRestraint self) -> std::string"""
11242 return _IMP_core.MinimumRestraint___repr__(self)
11246 return _object_cast_to_MinimumRestraint(o)
11250 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11251 class Gaussian(RigidBody):
11252 r"""Proxy of C++ IMP::core::Gaussian class."""
11254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11256 def __init__(self, *args):
11258 __init__(Gaussian self) -> Gaussian
11259 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11260 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11262 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11264 def show(self, *args):
11265 r"""show(Gaussian self, _ostream out=std::cout)"""
11266 return _IMP_core.Gaussian_show(self, *args)
11269 def setup_particle(*args):
11271 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11272 setup_particle(_ParticleAdaptor pa) -> Gaussian
11273 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11274 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11276 return _IMP_core.Gaussian_setup_particle(*args)
11279 def get_local_covariance_key():
11280 r"""get_local_covariance_key() -> ObjectKey"""
11281 return _IMP_core.Gaussian_get_local_covariance_key()
11284 def get_global_covariance_key():
11285 r"""get_global_covariance_key() -> ObjectKey"""
11286 return _IMP_core.Gaussian_get_global_covariance_key()
11289 def get_is_setup(*args):
11291 get_is_setup(_ParticleAdaptor p) -> bool
11292 get_is_setup(Model m, ParticleIndex pi) -> bool
11294 return _IMP_core.Gaussian_get_is_setup(*args)
11296 def get_local_covariance(self):
11297 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11298 return _IMP_core.Gaussian_get_local_covariance(self)
11300 def get_variances(self):
11301 r"""get_variances(Gaussian self) -> Vector3D"""
11302 return _IMP_core.Gaussian_get_variances(self)
11304 def get_global_covariance(self):
11305 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11306 return _IMP_core.Gaussian_get_global_covariance(self)
11308 def get_gaussian(self):
11309 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11310 return _IMP_core.Gaussian_get_gaussian(self)
11312 def set_gaussian(self, g):
11313 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11314 return _IMP_core.Gaussian_set_gaussian(self, g)
11316 def set_local_covariance(self, covar):
11317 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11318 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11320 def set_variances(self, v):
11321 r"""set_variances(Gaussian self, Vector3D v)"""
11322 return _IMP_core.Gaussian_set_variances(self, v)
11324 def set_global_covariance(self, covar):
11325 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11326 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11328 def update_global_covariance(self):
11329 r"""update_global_covariance(Gaussian self)"""
11330 return _IMP_core.Gaussian_update_global_covariance(self)
11332 def add_attribute(self, *args):
11334 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11335 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11336 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11337 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11338 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11339 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11340 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11341 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11342 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11343 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11344 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11345 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11347 return _IMP_core.Gaussian_add_attribute(self, *args)
11349 def get_value(self, *args):
11351 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11352 get_value(Gaussian self, IntKey a0) -> IMP::Int
11353 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11354 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11355 get_value(Gaussian self, StringKey a0) -> IMP::String
11356 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11357 get_value(Gaussian self, ObjectKey a0) -> Object
11358 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11359 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11360 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11361 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11363 return _IMP_core.Gaussian_get_value(self, *args)
11365 def set_value(self, *args):
11367 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11368 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11369 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11370 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11371 set_value(Gaussian self, StringKey a0, IMP::String a1)
11372 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11373 set_value(Gaussian self, ObjectKey a0, Object a1)
11374 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11375 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11376 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11377 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11379 return _IMP_core.Gaussian_set_value(self, *args)
11381 def remove_attribute(self, *args):
11383 remove_attribute(Gaussian self, FloatKey a0)
11384 remove_attribute(Gaussian self, IntKey a0)
11385 remove_attribute(Gaussian self, FloatsKey a0)
11386 remove_attribute(Gaussian self, IntsKey a0)
11387 remove_attribute(Gaussian self, StringKey a0)
11388 remove_attribute(Gaussian self, ParticleIndexKey a0)
11389 remove_attribute(Gaussian self, ObjectKey a0)
11390 remove_attribute(Gaussian self, SparseFloatKey a0)
11391 remove_attribute(Gaussian self, SparseIntKey a0)
11392 remove_attribute(Gaussian self, SparseStringKey a0)
11393 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11395 return _IMP_core.Gaussian_remove_attribute(self, *args)
11397 def has_attribute(self, *args):
11399 has_attribute(Gaussian self, FloatKey a0) -> bool
11400 has_attribute(Gaussian self, IntKey a0) -> bool
11401 has_attribute(Gaussian self, FloatsKey a0) -> bool
11402 has_attribute(Gaussian self, IntsKey a0) -> bool
11403 has_attribute(Gaussian self, StringKey a0) -> bool
11404 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11405 has_attribute(Gaussian self, ObjectKey a0) -> bool
11406 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11407 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11408 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11409 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11411 return _IMP_core.Gaussian_has_attribute(self, *args)
11413 def get_derivative(self, a0):
11414 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11415 return _IMP_core.Gaussian_get_derivative(self, a0)
11417 def get_name(self):
11418 r"""get_name(Gaussian self) -> std::string"""
11419 return _IMP_core.Gaussian_get_name(self)
11421 def clear_caches(self):
11422 r"""clear_caches(Gaussian self)"""
11423 return _IMP_core.Gaussian_clear_caches(self)
11425 def set_name(self, a0):
11426 r"""set_name(Gaussian self, std::string a0)"""
11427 return _IMP_core.Gaussian_set_name(self, a0)
11430 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11431 return _IMP_core.Gaussian_set_check_level(self, a0)
11433 def add_to_derivative(self, a0, a1, a2):
11434 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11435 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11437 def set_is_optimized(self, a0, a1):
11438 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11439 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11441 def get_is_optimized(self, a0):
11442 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11443 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11446 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11447 return _IMP_core.Gaussian_get_check_level(self)
11449 def __eq__(self, *args):
11451 __eq__(Gaussian self, Gaussian o) -> bool
11452 __eq__(Gaussian self, Particle d) -> bool
11454 return _IMP_core.Gaussian___eq__(self, *args)
11456 def __ne__(self, *args):
11458 __ne__(Gaussian self, Gaussian o) -> bool
11459 __ne__(Gaussian self, Particle d) -> bool
11461 return _IMP_core.Gaussian___ne__(self, *args)
11463 def __le__(self, *args):
11465 __le__(Gaussian self, Gaussian o) -> bool
11466 __le__(Gaussian self, Particle d) -> bool
11468 return _IMP_core.Gaussian___le__(self, *args)
11470 def __lt__(self, *args):
11472 __lt__(Gaussian self, Gaussian o) -> bool
11473 __lt__(Gaussian self, Particle d) -> bool
11475 return _IMP_core.Gaussian___lt__(self, *args)
11477 def __ge__(self, *args):
11479 __ge__(Gaussian self, Gaussian o) -> bool
11480 __ge__(Gaussian self, Particle d) -> bool
11482 return _IMP_core.Gaussian___ge__(self, *args)
11484 def __gt__(self, *args):
11486 __gt__(Gaussian self, Gaussian o) -> bool
11487 __gt__(Gaussian self, Particle d) -> bool
11489 return _IMP_core.Gaussian___gt__(self, *args)
11491 def __hash__(self):
11492 r"""__hash__(Gaussian self) -> std::size_t"""
11493 return _IMP_core.Gaussian___hash__(self)
11496 r"""__str__(Gaussian self) -> std::string"""
11497 return _IMP_core.Gaussian___str__(self)
11499 def __repr__(self):
11500 r"""__repr__(Gaussian self) -> std::string"""
11501 return _IMP_core.Gaussian___repr__(self)
11503 def _get_as_binary(self):
11504 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11505 return _IMP_core.Gaussian__get_as_binary(self)
11507 def _set_from_binary(self, p):
11508 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11509 return _IMP_core.Gaussian__set_from_binary(self, p)
11511 def __getstate__(self):
11512 p = self._get_as_binary()
11513 if len(self.__dict__) > 1:
11514 d = self.__dict__.copy()
11519 def __setstate__(self, p):
11520 if not hasattr(self,
'this'):
11522 if isinstance(p, tuple):
11524 self.__dict__.update(d)
11525 return self._set_from_binary(p)
11527 __swig_destroy__ = _IMP_core.delete_Gaussian
11530 _IMP_core.Gaussian_swigregister(Gaussian)
11532 r"""Proxy of C++ IMP::core::PairRestraint class."""
11534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11536 def __init__(self, *args):
11538 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11539 __init__(PairRestraint self) -> PairRestraint
11541 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11543 def get_score_object(self):
11544 r"""get_score_object(PairRestraint self) -> PairScore"""
11545 return _IMP_core.PairRestraint_get_score_object(self)
11548 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11549 return _IMP_core.PairRestraint_get_index(self)
11551 def get_version_info(self):
11552 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11553 return _IMP_core.PairRestraint_get_version_info(self)
11554 __swig_destroy__ = _IMP_core.delete_PairRestraint
11557 r"""__str__(PairRestraint self) -> std::string"""
11558 return _IMP_core.PairRestraint___str__(self)
11560 def __repr__(self):
11561 r"""__repr__(PairRestraint self) -> std::string"""
11562 return _IMP_core.PairRestraint___repr__(self)
11566 return _object_cast_to_PairRestraint(o)
11569 def _get_as_binary(self):
11570 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11571 return _IMP_core.PairRestraint__get_as_binary(self)
11573 def _set_from_binary(self, p):
11574 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11575 return _IMP_core.PairRestraint__set_from_binary(self, p)
11577 def __getstate__(self):
11578 p = self._get_as_binary()
11579 if len(self.__dict__) > 1:
11580 d = self.__dict__.copy()
11585 def __setstate__(self, p):
11586 if not hasattr(self,
'this'):
11588 if isinstance(p, tuple):
11590 self.__dict__.update(d)
11591 return self._set_from_binary(p)
11594 def _get_jax(self):
11595 from .
import _jax_util
11596 return _jax_util._get_jax_restraint(self)
11600 _IMP_core.PairRestraint_swigregister(PairRestraint)
11602 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11604 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11606 def __init__(self, *args):
11608 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11609 __init__(SingletonRestraint self) -> SingletonRestraint
11611 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11613 def get_score_object(self):
11614 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11615 return _IMP_core.SingletonRestraint_get_score_object(self)
11618 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11619 return _IMP_core.SingletonRestraint_get_index(self)
11621 def get_version_info(self):
11622 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11623 return _IMP_core.SingletonRestraint_get_version_info(self)
11624 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11627 r"""__str__(SingletonRestraint self) -> std::string"""
11628 return _IMP_core.SingletonRestraint___str__(self)
11630 def __repr__(self):
11631 r"""__repr__(SingletonRestraint self) -> std::string"""
11632 return _IMP_core.SingletonRestraint___repr__(self)
11636 return _object_cast_to_SingletonRestraint(o)
11639 def _get_as_binary(self):
11640 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11641 return _IMP_core.SingletonRestraint__get_as_binary(self)
11643 def _set_from_binary(self, p):
11644 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11645 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11647 def __getstate__(self):
11648 p = self._get_as_binary()
11649 if len(self.__dict__) > 1:
11650 d = self.__dict__.copy()
11655 def __setstate__(self, p):
11656 if not hasattr(self,
'this'):
11658 if isinstance(p, tuple):
11660 self.__dict__.update(d)
11661 return self._set_from_binary(p)
11664 def _get_jax(self):
11665 from .
import _jax_util
11666 return _jax_util._get_jax_restraint(self)
11670 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11672 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11676 def __init__(self, *args):
11678 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11679 __init__(TripletRestraint self) -> TripletRestraint
11681 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11683 def get_score_object(self):
11684 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11685 return _IMP_core.TripletRestraint_get_score_object(self)
11688 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11689 return _IMP_core.TripletRestraint_get_index(self)
11691 def get_version_info(self):
11692 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11693 return _IMP_core.TripletRestraint_get_version_info(self)
11694 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11697 r"""__str__(TripletRestraint self) -> std::string"""
11698 return _IMP_core.TripletRestraint___str__(self)
11700 def __repr__(self):
11701 r"""__repr__(TripletRestraint self) -> std::string"""
11702 return _IMP_core.TripletRestraint___repr__(self)
11706 return _object_cast_to_TripletRestraint(o)
11709 def _get_as_binary(self):
11710 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11711 return _IMP_core.TripletRestraint__get_as_binary(self)
11713 def _set_from_binary(self, p):
11714 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11715 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11717 def __getstate__(self):
11718 p = self._get_as_binary()
11719 if len(self.__dict__) > 1:
11720 d = self.__dict__.copy()
11725 def __setstate__(self, p):
11726 if not hasattr(self,
'this'):
11728 if isinstance(p, tuple):
11730 self.__dict__.update(d)
11731 return self._set_from_binary(p)
11735 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11737 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11739 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11741 def __init__(self, *args):
11743 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11744 __init__(QuadRestraint self) -> QuadRestraint
11746 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11748 def get_score_object(self):
11749 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11750 return _IMP_core.QuadRestraint_get_score_object(self)
11753 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11754 return _IMP_core.QuadRestraint_get_index(self)
11756 def get_version_info(self):
11757 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11758 return _IMP_core.QuadRestraint_get_version_info(self)
11759 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11762 r"""__str__(QuadRestraint self) -> std::string"""
11763 return _IMP_core.QuadRestraint___str__(self)
11765 def __repr__(self):
11766 r"""__repr__(QuadRestraint self) -> std::string"""
11767 return _IMP_core.QuadRestraint___repr__(self)
11771 return _object_cast_to_QuadRestraint(o)
11774 def _get_as_binary(self):
11775 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11776 return _IMP_core.QuadRestraint__get_as_binary(self)
11778 def _set_from_binary(self, p):
11779 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11780 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11782 def __getstate__(self):
11783 p = self._get_as_binary()
11784 if len(self.__dict__) > 1:
11785 d = self.__dict__.copy()
11790 def __setstate__(self, p):
11791 if not hasattr(self,
'this'):
11793 if isinstance(p, tuple):
11795 self.__dict__.update(d)
11796 return self._set_from_binary(p)
11800 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11802 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11806 def __init__(self, *args):
11808 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11809 __init__(SingletonConstraint self) -> SingletonConstraint
11811 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11813 def get_before_modifier(self):
11814 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11815 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11818 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11819 return _IMP_core.SingletonConstraint_get_index(self)
11821 def get_version_info(self):
11822 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11823 return _IMP_core.SingletonConstraint_get_version_info(self)
11824 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11827 r"""__str__(SingletonConstraint self) -> std::string"""
11828 return _IMP_core.SingletonConstraint___str__(self)
11830 def __repr__(self):
11831 r"""__repr__(SingletonConstraint self) -> std::string"""
11832 return _IMP_core.SingletonConstraint___repr__(self)
11836 return _object_cast_to_SingletonConstraint(o)
11839 def _get_as_binary(self):
11840 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11841 return _IMP_core.SingletonConstraint__get_as_binary(self)
11843 def _set_from_binary(self, p):
11844 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11845 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11847 def __getstate__(self):
11848 p = self._get_as_binary()
11849 if len(self.__dict__) > 1:
11850 d = self.__dict__.copy()
11855 def __setstate__(self, p):
11856 if not hasattr(self,
'this'):
11858 if isinstance(p, tuple):
11860 self.__dict__.update(d)
11861 return self._set_from_binary(p)
11864 def _get_jax(self):
11865 import jax.numpy
as jnp
11866 indexes = jnp.array([self.get_index()])
11867 mod = self.get_before_modifier().get_derived_object()
11868 ji = mod._get_jax(self.get_model(), indexes)
11869 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11873 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11875 r"""Proxy of C++ IMP::core::PairConstraint class."""
11877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11879 def __init__(self, *args):
11881 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11882 __init__(PairConstraint self) -> PairConstraint
11884 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11886 def get_before_modifier(self):
11887 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11888 return _IMP_core.PairConstraint_get_before_modifier(self)
11891 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11892 return _IMP_core.PairConstraint_get_index(self)
11894 def get_version_info(self):
11895 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11896 return _IMP_core.PairConstraint_get_version_info(self)
11897 __swig_destroy__ = _IMP_core.delete_PairConstraint
11900 r"""__str__(PairConstraint self) -> std::string"""
11901 return _IMP_core.PairConstraint___str__(self)
11903 def __repr__(self):
11904 r"""__repr__(PairConstraint self) -> std::string"""
11905 return _IMP_core.PairConstraint___repr__(self)
11909 return _object_cast_to_PairConstraint(o)
11912 def _get_as_binary(self):
11913 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11914 return _IMP_core.PairConstraint__get_as_binary(self)
11916 def _set_from_binary(self, p):
11917 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11918 return _IMP_core.PairConstraint__set_from_binary(self, p)
11920 def __getstate__(self):
11921 p = self._get_as_binary()
11922 if len(self.__dict__) > 1:
11923 d = self.__dict__.copy()
11928 def __setstate__(self, p):
11929 if not hasattr(self,
'this'):
11931 if isinstance(p, tuple):
11933 self.__dict__.update(d)
11934 return self._set_from_binary(p)
11938 _IMP_core.PairConstraint_swigregister(PairConstraint)
11940 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11944 def __init__(self, *args):
11946 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11947 __init__(TripletConstraint self) -> TripletConstraint
11949 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11951 def get_before_modifier(self):
11952 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11953 return _IMP_core.TripletConstraint_get_before_modifier(self)
11956 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11957 return _IMP_core.TripletConstraint_get_index(self)
11959 def get_version_info(self):
11960 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11961 return _IMP_core.TripletConstraint_get_version_info(self)
11962 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11965 r"""__str__(TripletConstraint self) -> std::string"""
11966 return _IMP_core.TripletConstraint___str__(self)
11968 def __repr__(self):
11969 r"""__repr__(TripletConstraint self) -> std::string"""
11970 return _IMP_core.TripletConstraint___repr__(self)
11974 return _object_cast_to_TripletConstraint(o)
11977 def _get_as_binary(self):
11978 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11979 return _IMP_core.TripletConstraint__get_as_binary(self)
11981 def _set_from_binary(self, p):
11982 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11983 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11985 def __getstate__(self):
11986 p = self._get_as_binary()
11987 if len(self.__dict__) > 1:
11988 d = self.__dict__.copy()
11993 def __setstate__(self, p):
11994 if not hasattr(self,
'this'):
11996 if isinstance(p, tuple):
11998 self.__dict__.update(d)
11999 return self._set_from_binary(p)
12003 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12005 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12007 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12009 def __init__(self, *args):
12011 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12012 __init__(QuadConstraint self) -> QuadConstraint
12014 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12016 def get_before_modifier(self):
12017 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12018 return _IMP_core.QuadConstraint_get_before_modifier(self)
12021 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12022 return _IMP_core.QuadConstraint_get_index(self)
12024 def get_version_info(self):
12025 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12026 return _IMP_core.QuadConstraint_get_version_info(self)
12027 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12030 r"""__str__(QuadConstraint self) -> std::string"""
12031 return _IMP_core.QuadConstraint___str__(self)
12033 def __repr__(self):
12034 r"""__repr__(QuadConstraint self) -> std::string"""
12035 return _IMP_core.QuadConstraint___repr__(self)
12039 return _object_cast_to_QuadConstraint(o)
12042 def _get_as_binary(self):
12043 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12044 return _IMP_core.QuadConstraint__get_as_binary(self)
12046 def _set_from_binary(self, p):
12047 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12048 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12050 def __getstate__(self):
12051 p = self._get_as_binary()
12052 if len(self.__dict__) > 1:
12053 d = self.__dict__.copy()
12058 def __setstate__(self, p):
12059 if not hasattr(self,
'this'):
12061 if isinstance(p, tuple):
12063 self.__dict__.update(d)
12064 return self._set_from_binary(p)
12068 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12070 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12074 def __init__(self, *args):
12076 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12077 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12079 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12081 def do_get_inputs(self, arg2, arg3):
12082 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12083 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12085 def get_value(self, *args):
12087 get_value(ConstantSingletonPredicate self, Particle a) -> int
12088 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12090 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12092 def get_value_index(self, *args):
12094 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12095 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12097 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12099 def get_version_info(self):
12100 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12101 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12102 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12105 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12106 return _IMP_core.ConstantSingletonPredicate___str__(self)
12108 def __repr__(self):
12109 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12110 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12114 return _object_cast_to_ConstantSingletonPredicate(o)
12117 def _get_as_binary(self):
12118 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12119 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12121 def _set_from_binary(self, p):
12122 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12123 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12125 def __getstate__(self):
12126 p = self._get_as_binary()
12127 if len(self.__dict__) > 1:
12128 d = self.__dict__.copy()
12133 def __setstate__(self, p):
12134 if not hasattr(self,
'this'):
12136 if isinstance(p, tuple):
12138 self.__dict__.update(d)
12139 return self._set_from_binary(p)
12143 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12145 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12147 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12149 def __init__(self, *args):
12150 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12151 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12153 def do_get_inputs(self, m, pis):
12154 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12155 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12157 def get_value(self, *args):
12159 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12160 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12162 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12164 def get_value_index(self, *args):
12166 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12167 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12169 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12171 def get_version_info(self):
12172 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12173 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12174 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12177 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12178 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12180 def __repr__(self):
12181 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12182 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12186 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12189 def _get_as_binary(self):
12190 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12191 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12193 def _set_from_binary(self, p):
12194 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12195 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12197 def __getstate__(self):
12198 p = self._get_as_binary()
12199 if len(self.__dict__) > 1:
12200 d = self.__dict__.copy()
12205 def __setstate__(self, p):
12206 if not hasattr(self,
'this'):
12208 if isinstance(p, tuple):
12210 self.__dict__.update(d)
12211 return self._set_from_binary(p)
12215 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12217 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12219 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12221 def __init__(self, *args):
12222 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12223 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12225 def do_get_inputs(self, m, pis):
12226 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12227 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12229 def get_value(self, *args):
12231 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12232 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12233 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12235 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12237 def get_value_index(self, *args):
12239 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12240 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12242 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12244 def get_version_info(self):
12245 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12246 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12247 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12250 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12251 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12253 def __repr__(self):
12254 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12255 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12259 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12263 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12265 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12269 def __init__(self, *args):
12270 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12271 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12273 def do_get_inputs(self, arg2, arg3):
12274 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12275 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12277 def get_value(self, *args):
12279 get_value(AllSameSingletonPredicate self, Particle a) -> int
12280 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12282 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12284 def get_value_index(self, *args):
12286 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12287 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12289 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12291 def get_version_info(self):
12292 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12293 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12294 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12297 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12298 return _IMP_core.AllSameSingletonPredicate___str__(self)
12300 def __repr__(self):
12301 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12302 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12306 return _object_cast_to_AllSameSingletonPredicate(o)
12309 def _get_as_binary(self):
12310 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12311 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12313 def _set_from_binary(self, p):
12314 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12315 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12317 def __getstate__(self):
12318 p = self._get_as_binary()
12319 if len(self.__dict__) > 1:
12320 d = self.__dict__.copy()
12325 def __setstate__(self, p):
12326 if not hasattr(self,
'this'):
12328 if isinstance(p, tuple):
12330 self.__dict__.update(d)
12331 return self._set_from_binary(p)
12335 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12337 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12341 def __init__(self, *args):
12342 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12343 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12345 def do_get_inputs(self, arg2, arg3):
12346 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12347 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12349 def get_value(self, *args):
12351 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12352 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12354 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12356 def get_value_index(self, *args):
12358 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12359 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12361 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12363 def get_version_info(self):
12364 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12365 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12366 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12369 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12370 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12372 def __repr__(self):
12373 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12374 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12378 return _object_cast_to_CoinFlipSingletonPredicate(o)
12382 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12384 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12386 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12388 def __init__(self, *args):
12390 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12391 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12393 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12395 def do_get_inputs(self, arg2, arg3):
12396 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12397 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12399 def get_value(self, *args):
12401 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12402 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12404 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12406 def get_value_index(self, *args):
12408 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12409 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12411 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12413 def get_version_info(self):
12414 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12415 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12416 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12419 r"""__str__(ConstantPairPredicate self) -> std::string"""
12420 return _IMP_core.ConstantPairPredicate___str__(self)
12422 def __repr__(self):
12423 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12424 return _IMP_core.ConstantPairPredicate___repr__(self)
12428 return _object_cast_to_ConstantPairPredicate(o)
12431 def _get_as_binary(self):
12432 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12433 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12435 def _set_from_binary(self, p):
12436 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12437 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12439 def __getstate__(self):
12440 p = self._get_as_binary()
12441 if len(self.__dict__) > 1:
12442 d = self.__dict__.copy()
12447 def __setstate__(self, p):
12448 if not hasattr(self,
'this'):
12450 if isinstance(p, tuple):
12452 self.__dict__.update(d)
12453 return self._set_from_binary(p)
12457 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12459 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12463 def __init__(self, *args):
12464 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12465 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12467 def do_get_inputs(self, m, pis):
12468 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12469 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12471 def get_value(self, *args):
12473 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12474 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12476 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12478 def get_value_index(self, *args):
12480 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12481 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12483 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12485 def get_version_info(self):
12486 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12487 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12488 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12491 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12492 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12494 def __repr__(self):
12495 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12496 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12500 return _object_cast_to_UnorderedTypePairPredicate(o)
12503 def _get_as_binary(self):
12504 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12505 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12507 def _set_from_binary(self, p):
12508 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12509 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12511 def __getstate__(self):
12512 p = self._get_as_binary()
12513 if len(self.__dict__) > 1:
12514 d = self.__dict__.copy()
12519 def __setstate__(self, p):
12520 if not hasattr(self,
'this'):
12522 if isinstance(p, tuple):
12524 self.__dict__.update(d)
12525 return self._set_from_binary(p)
12529 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12531 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12533 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12535 def __init__(self, *args):
12536 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12537 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12539 def do_get_inputs(self, m, pis):
12540 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12541 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12543 def get_value(self, *args):
12545 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12546 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12547 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12549 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12551 def get_value_index(self, *args):
12553 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12554 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12556 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12558 def get_version_info(self):
12559 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12560 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12561 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12564 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12565 return _IMP_core.OrderedTypePairPredicate___str__(self)
12567 def __repr__(self):
12568 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12569 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12573 return _object_cast_to_OrderedTypePairPredicate(o)
12577 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12579 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12581 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12583 def __init__(self, *args):
12584 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12585 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12587 def do_get_inputs(self, arg2, arg3):
12588 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12589 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12591 def get_value(self, *args):
12593 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12594 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12596 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12598 def get_value_index(self, *args):
12600 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12601 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12603 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12605 def get_version_info(self):
12606 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12607 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12608 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12611 r"""__str__(AllSamePairPredicate self) -> std::string"""
12612 return _IMP_core.AllSamePairPredicate___str__(self)
12614 def __repr__(self):
12615 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12616 return _IMP_core.AllSamePairPredicate___repr__(self)
12620 return _object_cast_to_AllSamePairPredicate(o)
12623 def _get_as_binary(self):
12624 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12625 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12627 def _set_from_binary(self, p):
12628 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12629 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12631 def __getstate__(self):
12632 p = self._get_as_binary()
12633 if len(self.__dict__) > 1:
12634 d = self.__dict__.copy()
12639 def __setstate__(self, p):
12640 if not hasattr(self,
'this'):
12642 if isinstance(p, tuple):
12644 self.__dict__.update(d)
12645 return self._set_from_binary(p)
12649 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12651 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12655 def __init__(self, *args):
12656 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12657 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12659 def do_get_inputs(self, arg2, arg3):
12660 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12661 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12663 def get_value(self, *args):
12665 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12666 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12668 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12670 def get_value_index(self, *args):
12672 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12673 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12675 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12677 def get_version_info(self):
12678 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12679 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12680 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12683 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12684 return _IMP_core.CoinFlipPairPredicate___str__(self)
12686 def __repr__(self):
12687 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12688 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12692 return _object_cast_to_CoinFlipPairPredicate(o)
12696 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12698 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12700 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12702 def __init__(self, *args):
12704 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12705 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12707 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12709 def do_get_inputs(self, arg2, arg3):
12710 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12711 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12713 def get_value(self, *args):
12715 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12716 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12718 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12720 def get_value_index(self, *args):
12722 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12723 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12725 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12727 def get_version_info(self):
12728 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12729 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12730 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12733 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12734 return _IMP_core.ConstantTripletPredicate___str__(self)
12736 def __repr__(self):
12737 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12738 return _IMP_core.ConstantTripletPredicate___repr__(self)
12742 return _object_cast_to_ConstantTripletPredicate(o)
12745 def _get_as_binary(self):
12746 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12747 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12749 def _set_from_binary(self, p):
12750 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12751 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12753 def __getstate__(self):
12754 p = self._get_as_binary()
12755 if len(self.__dict__) > 1:
12756 d = self.__dict__.copy()
12761 def __setstate__(self, p):
12762 if not hasattr(self,
'this'):
12764 if isinstance(p, tuple):
12766 self.__dict__.update(d)
12767 return self._set_from_binary(p)
12771 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12773 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12775 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12777 def __init__(self, *args):
12778 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12779 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12781 def do_get_inputs(self, m, pis):
12782 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12783 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12785 def get_value(self, *args):
12787 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12788 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12790 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12792 def get_value_index(self, *args):
12794 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12795 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12797 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12799 def get_version_info(self):
12800 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12801 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12802 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12805 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12806 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12808 def __repr__(self):
12809 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12810 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12814 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12817 def _get_as_binary(self):
12818 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12819 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12821 def _set_from_binary(self, p):
12822 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12823 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12825 def __getstate__(self):
12826 p = self._get_as_binary()
12827 if len(self.__dict__) > 1:
12828 d = self.__dict__.copy()
12833 def __setstate__(self, p):
12834 if not hasattr(self,
'this'):
12836 if isinstance(p, tuple):
12838 self.__dict__.update(d)
12839 return self._set_from_binary(p)
12843 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12845 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12847 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12849 def __init__(self, *args):
12850 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12851 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12853 def do_get_inputs(self, m, pis):
12854 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12855 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12857 def get_value(self, *args):
12859 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12860 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12861 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12863 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12865 def get_value_index(self, *args):
12867 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12868 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12870 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12872 def get_version_info(self):
12873 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12874 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12875 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12878 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12879 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12881 def __repr__(self):
12882 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12883 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12887 return _object_cast_to_OrderedTypeTripletPredicate(o)
12891 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12893 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12897 def __init__(self, *args):
12898 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12899 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12901 def do_get_inputs(self, arg2, arg3):
12902 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12903 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12905 def get_value(self, *args):
12907 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12908 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12910 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12912 def get_value_index(self, *args):
12914 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12915 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12917 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12919 def get_version_info(self):
12920 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12921 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12922 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12925 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12926 return _IMP_core.AllSameTripletPredicate___str__(self)
12928 def __repr__(self):
12929 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12930 return _IMP_core.AllSameTripletPredicate___repr__(self)
12934 return _object_cast_to_AllSameTripletPredicate(o)
12937 def _get_as_binary(self):
12938 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12939 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12941 def _set_from_binary(self, p):
12942 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12943 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12945 def __getstate__(self):
12946 p = self._get_as_binary()
12947 if len(self.__dict__) > 1:
12948 d = self.__dict__.copy()
12953 def __setstate__(self, p):
12954 if not hasattr(self,
'this'):
12956 if isinstance(p, tuple):
12958 self.__dict__.update(d)
12959 return self._set_from_binary(p)
12963 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12965 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12967 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12969 def __init__(self, *args):
12970 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12971 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12973 def do_get_inputs(self, arg2, arg3):
12974 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12975 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12977 def get_value(self, *args):
12979 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12980 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12982 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12984 def get_value_index(self, *args):
12986 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12987 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12989 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12991 def get_version_info(self):
12992 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12993 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12994 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12997 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12998 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13000 def __repr__(self):
13001 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13002 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13006 return _object_cast_to_CoinFlipTripletPredicate(o)
13010 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13012 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13014 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13016 def __init__(self, *args):
13018 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13019 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13021 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13023 def do_get_inputs(self, arg2, arg3):
13024 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13025 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13027 def get_value(self, *args):
13029 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13030 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13032 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13034 def get_value_index(self, *args):
13036 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13037 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13039 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13041 def get_version_info(self):
13042 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13043 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13044 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13047 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13048 return _IMP_core.ConstantQuadPredicate___str__(self)
13050 def __repr__(self):
13051 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13052 return _IMP_core.ConstantQuadPredicate___repr__(self)
13056 return _object_cast_to_ConstantQuadPredicate(o)
13059 def _get_as_binary(self):
13060 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13061 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13063 def _set_from_binary(self, p):
13064 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13065 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13067 def __getstate__(self):
13068 p = self._get_as_binary()
13069 if len(self.__dict__) > 1:
13070 d = self.__dict__.copy()
13075 def __setstate__(self, p):
13076 if not hasattr(self,
'this'):
13078 if isinstance(p, tuple):
13080 self.__dict__.update(d)
13081 return self._set_from_binary(p)
13085 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13087 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13089 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13091 def __init__(self, *args):
13092 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13093 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13095 def do_get_inputs(self, m, pis):
13096 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13097 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13099 def get_value(self, *args):
13101 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13102 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13104 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13106 def get_value_index(self, *args):
13108 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13109 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13111 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13113 def get_version_info(self):
13114 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13115 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13116 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13119 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13120 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13122 def __repr__(self):
13123 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13124 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13128 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13131 def _get_as_binary(self):
13132 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13133 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13135 def _set_from_binary(self, p):
13136 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13137 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13139 def __getstate__(self):
13140 p = self._get_as_binary()
13141 if len(self.__dict__) > 1:
13142 d = self.__dict__.copy()
13147 def __setstate__(self, p):
13148 if not hasattr(self,
'this'):
13150 if isinstance(p, tuple):
13152 self.__dict__.update(d)
13153 return self._set_from_binary(p)
13157 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13159 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13161 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13163 def __init__(self, *args):
13164 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13165 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13167 def do_get_inputs(self, m, pis):
13168 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13169 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13171 def get_value(self, *args):
13173 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13174 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13175 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13177 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13179 def get_value_index(self, *args):
13181 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13182 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13184 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13186 def get_version_info(self):
13187 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13188 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13189 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13192 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13193 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13195 def __repr__(self):
13196 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13197 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13201 return _object_cast_to_OrderedTypeQuadPredicate(o)
13205 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13207 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13209 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13211 def __init__(self, *args):
13212 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13213 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13215 def do_get_inputs(self, arg2, arg3):
13216 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13217 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13219 def get_value(self, *args):
13221 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13222 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13224 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13226 def get_value_index(self, *args):
13228 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13229 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13231 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13233 def get_version_info(self):
13234 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13235 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13236 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13239 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13240 return _IMP_core.AllSameQuadPredicate___str__(self)
13242 def __repr__(self):
13243 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13244 return _IMP_core.AllSameQuadPredicate___repr__(self)
13248 return _object_cast_to_AllSameQuadPredicate(o)
13251 def _get_as_binary(self):
13252 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13253 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13255 def _set_from_binary(self, p):
13256 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13257 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13259 def __getstate__(self):
13260 p = self._get_as_binary()
13261 if len(self.__dict__) > 1:
13262 d = self.__dict__.copy()
13267 def __setstate__(self, p):
13268 if not hasattr(self,
'this'):
13270 if isinstance(p, tuple):
13272 self.__dict__.update(d)
13273 return self._set_from_binary(p)
13277 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13279 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13281 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13283 def __init__(self, *args):
13284 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13285 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13287 def do_get_inputs(self, arg2, arg3):
13288 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13289 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13291 def get_value(self, *args):
13293 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13294 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13296 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13298 def get_value_index(self, *args):
13300 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13301 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13303 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13305 def get_version_info(self):
13306 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13307 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13308 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13311 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13312 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13314 def __repr__(self):
13315 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13316 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13320 return _object_cast_to_CoinFlipQuadPredicate(o)
13324 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13326 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13328 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13330 def __init__(self, *args):
13331 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13332 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13334 def do_get_inputs(self, m, pi):
13335 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13336 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13338 def get_value(self, *args):
13340 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13341 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13343 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13345 def get_value_index(self, *args):
13347 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13348 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13350 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13352 def get_version_info(self):
13353 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13354 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13355 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13358 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13359 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13361 def __repr__(self):
13362 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13363 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13367 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13371 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13373 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13375 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13377 def __init__(self, *args):
13378 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13379 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13381 def do_get_inputs(self, m, pi):
13382 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13383 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13385 def get_value(self, *args):
13387 get_value(AttributeSingletonPredicate self, Particle a) -> int
13388 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13390 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13392 def get_value_index(self, *args):
13394 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13395 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13397 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13399 def get_version_info(self):
13400 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13401 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13402 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13405 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13406 return _IMP_core.AttributeSingletonPredicate___str__(self)
13408 def __repr__(self):
13409 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13410 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13414 return _object_cast_to_AttributeSingletonPredicate(o)
13418 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13420 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13424 def __init__(self, *args):
13425 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13426 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13428 def do_get_inputs(self, m, pi):
13429 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13430 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13432 def get_value(self, *args):
13434 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13435 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13437 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13439 def get_value_index(self, *args):
13441 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13442 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13444 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13446 def get_version_info(self):
13447 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13448 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13449 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13452 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13453 return _IMP_core.IsCollisionPairPredicate___str__(self)
13455 def __repr__(self):
13456 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13457 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13461 return _object_cast_to_IsCollisionPairPredicate(o)
13465 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13466 class AngleRestraint(TripletRestraint):
13467 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13471 def __init__(self, *args):
13473 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13474 __init__(AngleRestraint self) -> AngleRestraint
13476 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13477 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13480 r"""__str__(AngleRestraint self) -> std::string"""
13481 return _IMP_core.AngleRestraint___str__(self)
13483 def __repr__(self):
13484 r"""__repr__(AngleRestraint self) -> std::string"""
13485 return _IMP_core.AngleRestraint___repr__(self)
13489 return _object_cast_to_AngleRestraint(o)
13492 def _get_as_binary(self):
13493 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13494 return _IMP_core.AngleRestraint__get_as_binary(self)
13496 def _set_from_binary(self, p):
13497 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13498 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13500 def __getstate__(self):
13501 p = self._get_as_binary()
13502 if len(self.__dict__) > 1:
13503 d = self.__dict__.copy()
13508 def __setstate__(self, p):
13509 if not hasattr(self,
'this'):
13511 if isinstance(p, tuple):
13513 self.__dict__.update(d)
13514 return self._set_from_binary(p)
13518 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13519 class RigidBodyMover(MonteCarloMover):
13520 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13524 def __init__(self, *args):
13526 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13527 __init__(RigidBodyMover self) -> RigidBodyMover
13529 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13531 def set_maximum_translation(self, mt):
13532 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13533 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13535 def set_maximum_rotation(self, mr):
13536 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13537 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13539 def get_maximum_translation(self):
13540 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13541 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13543 def get_maximum_rotation(self):
13544 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13545 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13548 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13549 return _IMP_core.RigidBodyMover_get_index(self)
13551 def get_version_info(self):
13552 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13553 return _IMP_core.RigidBodyMover_get_version_info(self)
13554 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13557 r"""__str__(RigidBodyMover self) -> std::string"""
13558 return _IMP_core.RigidBodyMover___str__(self)
13560 def __repr__(self):
13561 r"""__repr__(RigidBodyMover self) -> std::string"""
13562 return _IMP_core.RigidBodyMover___repr__(self)
13566 return _object_cast_to_RigidBodyMover(o)
13569 def _get_as_binary(self):
13570 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13571 return _IMP_core.RigidBodyMover__get_as_binary(self)
13573 def _set_from_binary(self, p):
13574 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13575 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13577 def __getstate__(self):
13578 p = self._get_as_binary()
13579 if len(self.__dict__) > 1:
13580 d = self.__dict__.copy()
13585 def __setstate__(self, p):
13586 if not hasattr(self,
'this'):
13588 if isinstance(p, tuple):
13590 self.__dict__.update(d)
13591 return self._set_from_binary(p)
13594 def _get_jax(self):
13596 import IMP.core._jax_rigid
13597 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13598 get_random_vector_in_3d_sphere,
13599 get_rotation_about_normalized_axis,
13600 _quaternion_multiply)
13601 max_angle = self.get_maximum_rotation()
13602 max_translation = self.get_maximum_translation()
13603 particle_index = self.get_index()
13604 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13605 self.get_model(), self.get_index())
13607 def init_func(key):
13610 def propose_func(jm, key):
13611 body = jm[
'rigid_bodies'].bodies[body_index]
13612 tf = body.get_transformation(jm)
13614 if max_translation > 0:
13615 key, subkey = jax.random.split(key)
13616 tf.translation += get_random_vector_in_3d_sphere(
13617 subkey, max_translation)[0]
13619 key, subkey1, subkey2 = jax.random.split(key, 3)
13620 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13621 angle = jax.random.uniform(
13622 subkey2, minval=-max_angle, maxval=max_angle)
13624 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13625 jm = body.set_transformation_lazy(tf, jm)
13626 return jm, key, 1.0
13628 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13632 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13633 class RigidBodyTunneler(MonteCarloMover):
13634 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13636 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13638 def __init__(self, m, pis, ref, k, move_probability=1.):
13639 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13640 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13642 def add_entry_point(self, fl):
13643 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13644 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13646 def reset_stats(self):
13647 r"""reset_stats(RigidBodyTunneler self)"""
13648 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13650 def get_number_of_rejected_moves(self):
13651 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13652 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13654 def get_number_of_proposed_moves(self):
13655 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13656 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13658 def get_number_of_impossible_moves(self):
13659 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13660 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13662 def get_number_of_calls(self):
13663 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13664 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13667 def get_reduced_coordinates(*args):
13669 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13670 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13672 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13675 def set_reduced_coordinates(m, target, ref, coords):
13676 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13677 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13679 def get_version_info(self):
13680 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13681 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13682 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13685 r"""__str__(RigidBodyTunneler self) -> std::string"""
13686 return _IMP_core.RigidBodyTunneler___str__(self)
13688 def __repr__(self):
13689 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13690 return _IMP_core.RigidBodyTunneler___repr__(self)
13694 return _object_cast_to_RigidBodyTunneler(o)
13698 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13700 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13704 def __init__(self, *args):
13706 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13707 __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
13709 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13711 def set_x0(self, *args):
13713 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13714 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13716 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13719 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13720 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13723 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13724 return _IMP_core.RigidBodyUmbrella_get_x(self)
13726 def set_alpha(self, alpha):
13727 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13728 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13730 def set_k(self, k):
13731 r"""set_k(RigidBodyUmbrella self, double k)"""
13732 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13734 def get_version_info(self):
13735 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13736 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13737 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13740 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13741 return _IMP_core.RigidBodyUmbrella___str__(self)
13743 def __repr__(self):
13744 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13745 return _IMP_core.RigidBodyUmbrella___repr__(self)
13749 return _object_cast_to_RigidBodyUmbrella(o)
13753 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13755 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13757 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13759 def __init__(self, f, sc, volume):
13760 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13761 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13763 def do_get_inputs(self):
13764 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13765 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13767 def get_version_info(self):
13768 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13769 return _IMP_core.VolumeRestraint_get_version_info(self)
13770 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13773 r"""__str__(VolumeRestraint self) -> std::string"""
13774 return _IMP_core.VolumeRestraint___str__(self)
13776 def __repr__(self):
13777 r"""__repr__(VolumeRestraint self) -> std::string"""
13778 return _IMP_core.VolumeRestraint___repr__(self)
13782 return _object_cast_to_VolumeRestraint(o)
13786 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13789 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13790 return _IMP_core.get_centroid(ps)
13793 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13794 return _IMP_core.get_bounding_box(ps)
13796 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13800 def __init__(self, ps):
13801 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13802 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13804 def show_statistics(self, *args):
13805 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13806 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13809 r"""reset(MoveStatisticsScoreState self)"""
13810 return _IMP_core.MoveStatisticsScoreState_reset(self)
13812 def do_before_evaluate(self):
13813 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13814 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13816 def do_after_evaluate(self, da):
13817 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13818 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13820 def do_get_inputs(self):
13821 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13822 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13824 def do_get_outputs(self):
13825 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13826 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13828 def get_version_info(self):
13829 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13830 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13831 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13834 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13835 return _IMP_core.MoveStatisticsScoreState___str__(self)
13837 def __repr__(self):
13838 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13839 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13843 return _object_cast_to_MoveStatisticsScoreState(o)
13847 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13848 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13851 r"""Proxy of C++ IMP::core::Typed class."""
13853 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13856 def get_type_key():
13857 r"""get_type_key() -> IntKey"""
13858 return _IMP_core.Typed_get_type_key()
13860 def __init__(self, *args):
13862 __init__(Typed self) -> Typed
13863 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13864 __init__(Typed self, _ParticleAdaptor d) -> Typed
13866 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13868 def show(self, *args):
13869 r"""show(Typed self, _ostream out=std::cout)"""
13870 return _IMP_core.Typed_show(self, *args)
13873 def setup_particle(*args):
13875 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13876 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13878 return _IMP_core.Typed_setup_particle(*args)
13881 def get_is_setup(*args):
13883 get_is_setup(_ParticleAdaptor p) -> bool
13884 get_is_setup(Model m, ParticleIndex pi) -> bool
13886 return _IMP_core.Typed_get_is_setup(*args)
13888 def get_type(self):
13889 r"""get_type(Typed self) -> ParticleType"""
13890 return _IMP_core.Typed_get_type(self)
13892 def set_type(self, pt):
13893 r"""set_type(Typed self, ParticleType pt)"""
13894 return _IMP_core.Typed_set_type(self, pt)
13896 def add_attribute(self, *args):
13898 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13899 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13900 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13901 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13902 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13903 add_attribute(Typed self, StringKey a0, IMP::String a1)
13904 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13905 add_attribute(Typed self, ObjectKey a0, Object a1)
13906 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13907 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13908 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13909 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13911 return _IMP_core.Typed_add_attribute(self, *args)
13913 def get_value(self, *args):
13915 get_value(Typed self, FloatKey a0) -> IMP::Float
13916 get_value(Typed self, IntKey a0) -> IMP::Int
13917 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13918 get_value(Typed self, IntsKey a0) -> IMP::Ints
13919 get_value(Typed self, StringKey a0) -> IMP::String
13920 get_value(Typed self, ParticleIndexKey a0) -> Particle
13921 get_value(Typed self, ObjectKey a0) -> Object
13922 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13923 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13924 get_value(Typed self, SparseStringKey a0) -> IMP::String
13925 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13927 return _IMP_core.Typed_get_value(self, *args)
13929 def set_value(self, *args):
13931 set_value(Typed self, FloatKey a0, IMP::Float a1)
13932 set_value(Typed self, IntKey a0, IMP::Int a1)
13933 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13934 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13935 set_value(Typed self, StringKey a0, IMP::String a1)
13936 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13937 set_value(Typed self, ObjectKey a0, Object a1)
13938 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13939 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13940 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13941 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13943 return _IMP_core.Typed_set_value(self, *args)
13945 def remove_attribute(self, *args):
13947 remove_attribute(Typed self, FloatKey a0)
13948 remove_attribute(Typed self, IntKey a0)
13949 remove_attribute(Typed self, FloatsKey a0)
13950 remove_attribute(Typed self, IntsKey a0)
13951 remove_attribute(Typed self, StringKey a0)
13952 remove_attribute(Typed self, ParticleIndexKey a0)
13953 remove_attribute(Typed self, ObjectKey a0)
13954 remove_attribute(Typed self, SparseFloatKey a0)
13955 remove_attribute(Typed self, SparseIntKey a0)
13956 remove_attribute(Typed self, SparseStringKey a0)
13957 remove_attribute(Typed self, SparseParticleIndexKey a0)
13959 return _IMP_core.Typed_remove_attribute(self, *args)
13961 def has_attribute(self, *args):
13963 has_attribute(Typed self, FloatKey a0) -> bool
13964 has_attribute(Typed self, IntKey a0) -> bool
13965 has_attribute(Typed self, FloatsKey a0) -> bool
13966 has_attribute(Typed self, IntsKey a0) -> bool
13967 has_attribute(Typed self, StringKey a0) -> bool
13968 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13969 has_attribute(Typed self, ObjectKey a0) -> bool
13970 has_attribute(Typed self, SparseFloatKey a0) -> bool
13971 has_attribute(Typed self, SparseIntKey a0) -> bool
13972 has_attribute(Typed self, SparseStringKey a0) -> bool
13973 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13975 return _IMP_core.Typed_has_attribute(self, *args)
13977 def get_derivative(self, a0):
13978 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13979 return _IMP_core.Typed_get_derivative(self, a0)
13981 def get_name(self):
13982 r"""get_name(Typed self) -> std::string"""
13983 return _IMP_core.Typed_get_name(self)
13985 def clear_caches(self):
13986 r"""clear_caches(Typed self)"""
13987 return _IMP_core.Typed_clear_caches(self)
13989 def set_name(self, a0):
13990 r"""set_name(Typed self, std::string a0)"""
13991 return _IMP_core.Typed_set_name(self, a0)
13994 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13995 return _IMP_core.Typed_set_check_level(self, a0)
13997 def add_to_derivative(self, a0, a1, a2):
13998 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13999 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14001 def set_is_optimized(self, a0, a1):
14002 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14003 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14005 def get_is_optimized(self, a0):
14006 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14007 return _IMP_core.Typed_get_is_optimized(self, a0)
14010 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14011 return _IMP_core.Typed_get_check_level(self)
14013 def __eq__(self, *args):
14015 __eq__(Typed self, Typed o) -> bool
14016 __eq__(Typed self, Particle d) -> bool
14018 return _IMP_core.Typed___eq__(self, *args)
14020 def __ne__(self, *args):
14022 __ne__(Typed self, Typed o) -> bool
14023 __ne__(Typed self, Particle d) -> bool
14025 return _IMP_core.Typed___ne__(self, *args)
14027 def __le__(self, *args):
14029 __le__(Typed self, Typed o) -> bool
14030 __le__(Typed self, Particle d) -> bool
14032 return _IMP_core.Typed___le__(self, *args)
14034 def __lt__(self, *args):
14036 __lt__(Typed self, Typed o) -> bool
14037 __lt__(Typed self, Particle d) -> bool
14039 return _IMP_core.Typed___lt__(self, *args)
14041 def __ge__(self, *args):
14043 __ge__(Typed self, Typed o) -> bool
14044 __ge__(Typed self, Particle d) -> bool
14046 return _IMP_core.Typed___ge__(self, *args)
14048 def __gt__(self, *args):
14050 __gt__(Typed self, Typed o) -> bool
14051 __gt__(Typed self, Particle d) -> bool
14053 return _IMP_core.Typed___gt__(self, *args)
14055 def __hash__(self):
14056 r"""__hash__(Typed self) -> std::size_t"""
14057 return _IMP_core.Typed___hash__(self)
14060 r"""__str__(Typed self) -> std::string"""
14061 return _IMP_core.Typed___str__(self)
14063 def __repr__(self):
14064 r"""__repr__(Typed self) -> std::string"""
14065 return _IMP_core.Typed___repr__(self)
14067 def _get_as_binary(self):
14068 r"""_get_as_binary(Typed self) -> PyObject *"""
14069 return _IMP_core.Typed__get_as_binary(self)
14071 def _set_from_binary(self, p):
14072 r"""_set_from_binary(Typed self, PyObject * p)"""
14073 return _IMP_core.Typed__set_from_binary(self, p)
14075 def __getstate__(self):
14076 p = self._get_as_binary()
14077 if len(self.__dict__) > 1:
14078 d = self.__dict__.copy()
14083 def __setstate__(self, p):
14084 if not hasattr(self,
'this'):
14086 if isinstance(p, tuple):
14088 self.__dict__.update(d)
14089 return self._set_from_binary(p)
14091 __swig_destroy__ = _IMP_core.delete_Typed
14094 _IMP_core.Typed_swigregister(Typed)
14096 def __lshift__(*args):
14098 __lshift__(_ostream out, XYZ n) -> _ostream
14099 __lshift__(_ostream out, XYZR n) -> _ostream
14100 __lshift__(_ostream out, Direction n) -> _ostream
14101 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14102 __lshift__(_ostream out, Surface n) -> _ostream
14103 __lshift__(_ostream out, Centroid n) -> _ostream
14104 __lshift__(_ostream out, Cover n) -> _ostream
14105 __lshift__(_ostream out, Reference n) -> _ostream
14106 __lshift__(_ostream out, RigidMember n) -> _ostream
14107 __lshift__(_ostream out, RigidBody n) -> _ostream
14108 __lshift__(_ostream out, Gaussian n) -> _ostream
14109 __lshift__(_ostream out, Typed n) -> _ostream
14111 return _IMP_core.__lshift__(*args)
14113 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14117 def __init__(self, rs, out):
14118 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14119 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14121 def get_version_info(self):
14122 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14123 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14124 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14127 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14128 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14130 def __repr__(self):
14131 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14132 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14136 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14140 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14143 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14144 return _IMP_core.assign_blame(rs, ps, attribute)
14147 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14148 return _IMP_core.create_blame_geometries(*args)
14150 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14152 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14154 def __init__(self, m, q1, q2):
14155 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14156 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14158 def add_term(self, term):
14159 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14160 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14162 def do_get_inputs(self):
14163 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14164 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14166 def get_version_info(self):
14167 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14168 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14169 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14172 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14173 return _IMP_core.MultipleBinormalRestraint___str__(self)
14175 def __repr__(self):
14176 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14177 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14181 return _object_cast_to_MultipleBinormalRestraint(o)
14185 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14186 class BinormalTerm(object):
14187 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14189 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14191 def __init__(self):
14192 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14193 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14195 def set_correlation(self, correlation):
14196 r"""set_correlation(BinormalTerm self, double correlation)"""
14197 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14199 def set_weight(self, weight):
14200 r"""set_weight(BinormalTerm self, double weight)"""
14201 return _IMP_core.BinormalTerm_set_weight(self, weight)
14203 def set_means(self, means):
14204 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14205 return _IMP_core.BinormalTerm_set_means(self, means)
14207 def set_standard_deviations(self, stdevs):
14208 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14209 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14211 def show(self, *args):
14212 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14213 return _IMP_core.BinormalTerm_show(self, *args)
14216 r"""__str__(BinormalTerm self) -> std::string"""
14217 return _IMP_core.BinormalTerm___str__(self)
14219 def __repr__(self):
14220 r"""__repr__(BinormalTerm self) -> std::string"""
14221 return _IMP_core.BinormalTerm___repr__(self)
14223 def _get_as_binary(self):
14224 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14225 return _IMP_core.BinormalTerm__get_as_binary(self)
14227 def _set_from_binary(self, p):
14228 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14229 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14231 def __getstate__(self):
14232 p = self._get_as_binary()
14233 if len(self.__dict__) > 1:
14234 d = self.__dict__.copy()
14239 def __setstate__(self, p):
14240 if not hasattr(self,
'this'):
14242 if isinstance(p, tuple):
14244 self.__dict__.update(d)
14245 return self._set_from_binary(p)
14247 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14250 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14252 r"""Proxy of C++ IMP::core::Provenance class."""
14254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14256 def get_previous(self):
14257 r"""get_previous(Provenance self) -> Provenance"""
14258 return _IMP_core.Provenance_get_previous(self)
14260 def set_previous(self, p):
14261 r"""set_previous(Provenance self, Provenance p)"""
14262 return _IMP_core.Provenance_set_previous(self, p)
14264 def __init__(self, *args):
14266 __init__(Provenance self) -> Provenance
14267 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14268 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14270 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14273 def get_is_setup(*args):
14275 get_is_setup(Model m, ParticleIndex pi) -> bool
14276 get_is_setup(_ParticleAdaptor p) -> bool
14278 return _IMP_core.Provenance_get_is_setup(*args)
14280 def show(self, *args):
14281 r"""show(Provenance self, _ostream out=std::cout)"""
14282 return _IMP_core.Provenance_show(self, *args)
14285 def setup_particle(*args):
14287 setup_particle(Model m, ParticleIndex pi) -> Provenance
14288 setup_particle(_ParticleAdaptor pa) -> Provenance
14290 return _IMP_core.Provenance_setup_particle(*args)
14292 def add_attribute(self, *args):
14294 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14295 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14296 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14297 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14298 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14299 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14300 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14301 add_attribute(Provenance self, ObjectKey a0, Object a1)
14302 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14303 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14304 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14305 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14307 return _IMP_core.Provenance_add_attribute(self, *args)
14309 def get_value(self, *args):
14311 get_value(Provenance self, FloatKey a0) -> IMP::Float
14312 get_value(Provenance self, IntKey a0) -> IMP::Int
14313 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14314 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14315 get_value(Provenance self, StringKey a0) -> IMP::String
14316 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14317 get_value(Provenance self, ObjectKey a0) -> Object
14318 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14319 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14320 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14321 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14323 return _IMP_core.Provenance_get_value(self, *args)
14325 def set_value(self, *args):
14327 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14328 set_value(Provenance self, IntKey a0, IMP::Int a1)
14329 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14330 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14331 set_value(Provenance self, StringKey a0, IMP::String a1)
14332 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14333 set_value(Provenance self, ObjectKey a0, Object a1)
14334 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14335 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14336 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14337 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14339 return _IMP_core.Provenance_set_value(self, *args)
14341 def remove_attribute(self, *args):
14343 remove_attribute(Provenance self, FloatKey a0)
14344 remove_attribute(Provenance self, IntKey a0)
14345 remove_attribute(Provenance self, FloatsKey a0)
14346 remove_attribute(Provenance self, IntsKey a0)
14347 remove_attribute(Provenance self, StringKey a0)
14348 remove_attribute(Provenance self, ParticleIndexKey a0)
14349 remove_attribute(Provenance self, ObjectKey a0)
14350 remove_attribute(Provenance self, SparseFloatKey a0)
14351 remove_attribute(Provenance self, SparseIntKey a0)
14352 remove_attribute(Provenance self, SparseStringKey a0)
14353 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14355 return _IMP_core.Provenance_remove_attribute(self, *args)
14357 def has_attribute(self, *args):
14359 has_attribute(Provenance self, FloatKey a0) -> bool
14360 has_attribute(Provenance self, IntKey a0) -> bool
14361 has_attribute(Provenance self, FloatsKey a0) -> bool
14362 has_attribute(Provenance self, IntsKey a0) -> bool
14363 has_attribute(Provenance self, StringKey a0) -> bool
14364 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14365 has_attribute(Provenance self, ObjectKey a0) -> bool
14366 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14367 has_attribute(Provenance self, SparseIntKey a0) -> bool
14368 has_attribute(Provenance self, SparseStringKey a0) -> bool
14369 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14371 return _IMP_core.Provenance_has_attribute(self, *args)
14373 def get_derivative(self, a0):
14374 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14375 return _IMP_core.Provenance_get_derivative(self, a0)
14377 def get_name(self):
14378 r"""get_name(Provenance self) -> std::string"""
14379 return _IMP_core.Provenance_get_name(self)
14381 def clear_caches(self):
14382 r"""clear_caches(Provenance self)"""
14383 return _IMP_core.Provenance_clear_caches(self)
14385 def set_name(self, a0):
14386 r"""set_name(Provenance self, std::string a0)"""
14387 return _IMP_core.Provenance_set_name(self, a0)
14390 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14391 return _IMP_core.Provenance_set_check_level(self, a0)
14393 def add_to_derivative(self, a0, a1, a2):
14394 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14395 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14397 def set_is_optimized(self, a0, a1):
14398 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14399 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14401 def get_is_optimized(self, a0):
14402 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14403 return _IMP_core.Provenance_get_is_optimized(self, a0)
14406 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14407 return _IMP_core.Provenance_get_check_level(self)
14409 def __eq__(self, *args):
14411 __eq__(Provenance self, Provenance o) -> bool
14412 __eq__(Provenance self, Particle d) -> bool
14414 return _IMP_core.Provenance___eq__(self, *args)
14416 def __ne__(self, *args):
14418 __ne__(Provenance self, Provenance o) -> bool
14419 __ne__(Provenance self, Particle d) -> bool
14421 return _IMP_core.Provenance___ne__(self, *args)
14423 def __le__(self, *args):
14425 __le__(Provenance self, Provenance o) -> bool
14426 __le__(Provenance self, Particle d) -> bool
14428 return _IMP_core.Provenance___le__(self, *args)
14430 def __lt__(self, *args):
14432 __lt__(Provenance self, Provenance o) -> bool
14433 __lt__(Provenance self, Particle d) -> bool
14435 return _IMP_core.Provenance___lt__(self, *args)
14437 def __ge__(self, *args):
14439 __ge__(Provenance self, Provenance o) -> bool
14440 __ge__(Provenance self, Particle d) -> bool
14442 return _IMP_core.Provenance___ge__(self, *args)
14444 def __gt__(self, *args):
14446 __gt__(Provenance self, Provenance o) -> bool
14447 __gt__(Provenance self, Particle d) -> bool
14449 return _IMP_core.Provenance___gt__(self, *args)
14451 def __hash__(self):
14452 r"""__hash__(Provenance self) -> std::size_t"""
14453 return _IMP_core.Provenance___hash__(self)
14456 r"""__str__(Provenance self) -> std::string"""
14457 return _IMP_core.Provenance___str__(self)
14459 def __repr__(self):
14460 r"""__repr__(Provenance self) -> std::string"""
14461 return _IMP_core.Provenance___repr__(self)
14463 def _get_as_binary(self):
14464 r"""_get_as_binary(Provenance self) -> PyObject *"""
14465 return _IMP_core.Provenance__get_as_binary(self)
14467 def _set_from_binary(self, p):
14468 r"""_set_from_binary(Provenance self, PyObject * p)"""
14469 return _IMP_core.Provenance__set_from_binary(self, p)
14471 def __getstate__(self):
14472 p = self._get_as_binary()
14473 if len(self.__dict__) > 1:
14474 d = self.__dict__.copy()
14479 def __setstate__(self, p):
14480 if not hasattr(self,
'this'):
14482 if isinstance(p, tuple):
14484 self.__dict__.update(d)
14485 return self._set_from_binary(p)
14487 __swig_destroy__ = _IMP_core.delete_Provenance
14490 _IMP_core.Provenance_swigregister(Provenance)
14491 class StructureProvenance(Provenance):
14492 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14496 def set_filename(self, filename):
14497 r"""set_filename(StructureProvenance self, std::string filename)"""
14498 return _IMP_core.StructureProvenance_set_filename(self, filename)
14500 def get_filename(self):
14501 r"""get_filename(StructureProvenance self) -> std::string"""
14502 return _IMP_core.StructureProvenance_get_filename(self)
14504 def set_chain_id(self, chain_id):
14505 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14506 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14509 r"""get_chain_id(StructureProvenance self) -> std::string"""
14510 return _IMP_core.StructureProvenance_get_chain_id(self)
14512 def set_residue_offset(self, residue_offset):
14513 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14514 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14516 def get_residue_offset(self):
14517 r"""get_residue_offset(StructureProvenance self) -> int"""
14518 return _IMP_core.StructureProvenance_get_residue_offset(self)
14520 def __init__(self, *args):
14522 __init__(StructureProvenance self) -> StructureProvenance
14523 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14524 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14526 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14529 def get_is_setup(*args):
14531 get_is_setup(Model m, ParticleIndex pi) -> bool
14532 get_is_setup(_ParticleAdaptor p) -> bool
14534 return _IMP_core.StructureProvenance_get_is_setup(*args)
14536 def show(self, *args):
14537 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14538 return _IMP_core.StructureProvenance_show(self, *args)
14541 def setup_particle(*args):
14543 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14544 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14545 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14546 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14547 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14548 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14550 return _IMP_core.StructureProvenance_setup_particle(*args)
14552 def add_attribute(self, *args):
14554 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14555 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14556 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14557 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14558 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14559 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14560 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14561 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14562 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14563 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14564 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14565 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14567 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14569 def get_value(self, *args):
14571 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14572 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14573 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14574 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14575 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14576 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14577 get_value(StructureProvenance self, ObjectKey a0) -> Object
14578 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14579 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14580 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14581 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14583 return _IMP_core.StructureProvenance_get_value(self, *args)
14585 def set_value(self, *args):
14587 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14588 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14589 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14590 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14591 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14592 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14593 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14594 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14595 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14596 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14597 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14599 return _IMP_core.StructureProvenance_set_value(self, *args)
14601 def remove_attribute(self, *args):
14603 remove_attribute(StructureProvenance self, FloatKey a0)
14604 remove_attribute(StructureProvenance self, IntKey a0)
14605 remove_attribute(StructureProvenance self, FloatsKey a0)
14606 remove_attribute(StructureProvenance self, IntsKey a0)
14607 remove_attribute(StructureProvenance self, StringKey a0)
14608 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14609 remove_attribute(StructureProvenance self, ObjectKey a0)
14610 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14611 remove_attribute(StructureProvenance self, SparseIntKey a0)
14612 remove_attribute(StructureProvenance self, SparseStringKey a0)
14613 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14615 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14617 def has_attribute(self, *args):
14619 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14620 has_attribute(StructureProvenance self, IntKey a0) -> bool
14621 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14622 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14623 has_attribute(StructureProvenance self, StringKey a0) -> bool
14624 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14625 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14626 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14627 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14628 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14629 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14631 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14633 def get_derivative(self, a0):
14634 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14635 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14637 def get_name(self):
14638 r"""get_name(StructureProvenance self) -> std::string"""
14639 return _IMP_core.StructureProvenance_get_name(self)
14641 def clear_caches(self):
14642 r"""clear_caches(StructureProvenance self)"""
14643 return _IMP_core.StructureProvenance_clear_caches(self)
14645 def set_name(self, a0):
14646 r"""set_name(StructureProvenance self, std::string a0)"""
14647 return _IMP_core.StructureProvenance_set_name(self, a0)
14650 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14651 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14653 def add_to_derivative(self, a0, a1, a2):
14654 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14655 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14657 def set_is_optimized(self, a0, a1):
14658 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14659 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14661 def get_is_optimized(self, a0):
14662 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14663 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14666 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14667 return _IMP_core.StructureProvenance_get_check_level(self)
14669 def __eq__(self, *args):
14671 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14672 __eq__(StructureProvenance self, Particle d) -> bool
14674 return _IMP_core.StructureProvenance___eq__(self, *args)
14676 def __ne__(self, *args):
14678 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14679 __ne__(StructureProvenance self, Particle d) -> bool
14681 return _IMP_core.StructureProvenance___ne__(self, *args)
14683 def __le__(self, *args):
14685 __le__(StructureProvenance self, StructureProvenance o) -> bool
14686 __le__(StructureProvenance self, Particle d) -> bool
14688 return _IMP_core.StructureProvenance___le__(self, *args)
14690 def __lt__(self, *args):
14692 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14693 __lt__(StructureProvenance self, Particle d) -> bool
14695 return _IMP_core.StructureProvenance___lt__(self, *args)
14697 def __ge__(self, *args):
14699 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14700 __ge__(StructureProvenance self, Particle d) -> bool
14702 return _IMP_core.StructureProvenance___ge__(self, *args)
14704 def __gt__(self, *args):
14706 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14707 __gt__(StructureProvenance self, Particle d) -> bool
14709 return _IMP_core.StructureProvenance___gt__(self, *args)
14711 def __hash__(self):
14712 r"""__hash__(StructureProvenance self) -> std::size_t"""
14713 return _IMP_core.StructureProvenance___hash__(self)
14716 r"""__str__(StructureProvenance self) -> std::string"""
14717 return _IMP_core.StructureProvenance___str__(self)
14719 def __repr__(self):
14720 r"""__repr__(StructureProvenance self) -> std::string"""
14721 return _IMP_core.StructureProvenance___repr__(self)
14723 def _get_as_binary(self):
14724 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14725 return _IMP_core.StructureProvenance__get_as_binary(self)
14727 def _set_from_binary(self, p):
14728 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14729 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14731 def __getstate__(self):
14732 p = self._get_as_binary()
14733 if len(self.__dict__) > 1:
14734 d = self.__dict__.copy()
14739 def __setstate__(self, p):
14740 if not hasattr(self,
'this'):
14742 if isinstance(p, tuple):
14744 self.__dict__.update(d)
14745 return self._set_from_binary(p)
14747 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14750 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14751 class SampleProvenance(Provenance):
14752 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14756 def set_method(self, method):
14757 r"""set_method(SampleProvenance self, std::string method)"""
14758 return _IMP_core.SampleProvenance_set_method(self, method)
14760 def get_method(self):
14761 r"""get_method(SampleProvenance self) -> std::string"""
14762 return _IMP_core.SampleProvenance_get_method(self)
14764 def set_number_of_frames(self, frames):
14765 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14766 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14769 r"""get_number_of_frames(SampleProvenance self) -> int"""
14770 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14772 def set_number_of_iterations(self, iterations):
14773 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14774 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14776 def get_number_of_iterations(self):
14777 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14778 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14780 def set_number_of_replicas(self, replicas):
14781 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14782 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14784 def get_number_of_replicas(self):
14785 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14786 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14788 def __init__(self, *args):
14790 __init__(SampleProvenance self) -> SampleProvenance
14791 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14792 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14794 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14797 def get_is_setup(*args):
14799 get_is_setup(Model m, ParticleIndex pi) -> bool
14800 get_is_setup(_ParticleAdaptor p) -> bool
14802 return _IMP_core.SampleProvenance_get_is_setup(*args)
14804 def show(self, *args):
14805 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14806 return _IMP_core.SampleProvenance_show(self, *args)
14809 def setup_particle(*args):
14811 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14812 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14813 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14814 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14815 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14816 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14818 return _IMP_core.SampleProvenance_setup_particle(*args)
14820 def add_attribute(self, *args):
14822 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14823 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14824 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14825 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14826 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14827 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14828 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14829 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14830 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14831 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14832 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14833 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14835 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14837 def get_value(self, *args):
14839 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14840 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14841 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14842 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14843 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14844 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14845 get_value(SampleProvenance self, ObjectKey a0) -> Object
14846 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14847 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14848 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14849 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14851 return _IMP_core.SampleProvenance_get_value(self, *args)
14853 def set_value(self, *args):
14855 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14856 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14857 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14858 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14859 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14860 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14861 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14862 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14863 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14864 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14865 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14867 return _IMP_core.SampleProvenance_set_value(self, *args)
14869 def remove_attribute(self, *args):
14871 remove_attribute(SampleProvenance self, FloatKey a0)
14872 remove_attribute(SampleProvenance self, IntKey a0)
14873 remove_attribute(SampleProvenance self, FloatsKey a0)
14874 remove_attribute(SampleProvenance self, IntsKey a0)
14875 remove_attribute(SampleProvenance self, StringKey a0)
14876 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14877 remove_attribute(SampleProvenance self, ObjectKey a0)
14878 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14879 remove_attribute(SampleProvenance self, SparseIntKey a0)
14880 remove_attribute(SampleProvenance self, SparseStringKey a0)
14881 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14883 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14885 def has_attribute(self, *args):
14887 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14888 has_attribute(SampleProvenance self, IntKey a0) -> bool
14889 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14890 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14891 has_attribute(SampleProvenance self, StringKey a0) -> bool
14892 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14893 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14894 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14895 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14896 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14897 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14899 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14901 def get_derivative(self, a0):
14902 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14903 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14905 def get_name(self):
14906 r"""get_name(SampleProvenance self) -> std::string"""
14907 return _IMP_core.SampleProvenance_get_name(self)
14909 def clear_caches(self):
14910 r"""clear_caches(SampleProvenance self)"""
14911 return _IMP_core.SampleProvenance_clear_caches(self)
14913 def set_name(self, a0):
14914 r"""set_name(SampleProvenance self, std::string a0)"""
14915 return _IMP_core.SampleProvenance_set_name(self, a0)
14918 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14919 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14921 def add_to_derivative(self, a0, a1, a2):
14922 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14923 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14925 def set_is_optimized(self, a0, a1):
14926 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14927 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14929 def get_is_optimized(self, a0):
14930 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14931 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14934 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14935 return _IMP_core.SampleProvenance_get_check_level(self)
14937 def __eq__(self, *args):
14939 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14940 __eq__(SampleProvenance self, Particle d) -> bool
14942 return _IMP_core.SampleProvenance___eq__(self, *args)
14944 def __ne__(self, *args):
14946 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14947 __ne__(SampleProvenance self, Particle d) -> bool
14949 return _IMP_core.SampleProvenance___ne__(self, *args)
14951 def __le__(self, *args):
14953 __le__(SampleProvenance self, SampleProvenance o) -> bool
14954 __le__(SampleProvenance self, Particle d) -> bool
14956 return _IMP_core.SampleProvenance___le__(self, *args)
14958 def __lt__(self, *args):
14960 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14961 __lt__(SampleProvenance self, Particle d) -> bool
14963 return _IMP_core.SampleProvenance___lt__(self, *args)
14965 def __ge__(self, *args):
14967 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14968 __ge__(SampleProvenance self, Particle d) -> bool
14970 return _IMP_core.SampleProvenance___ge__(self, *args)
14972 def __gt__(self, *args):
14974 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14975 __gt__(SampleProvenance self, Particle d) -> bool
14977 return _IMP_core.SampleProvenance___gt__(self, *args)
14979 def __hash__(self):
14980 r"""__hash__(SampleProvenance self) -> std::size_t"""
14981 return _IMP_core.SampleProvenance___hash__(self)
14984 r"""__str__(SampleProvenance self) -> std::string"""
14985 return _IMP_core.SampleProvenance___str__(self)
14987 def __repr__(self):
14988 r"""__repr__(SampleProvenance self) -> std::string"""
14989 return _IMP_core.SampleProvenance___repr__(self)
14991 def _get_as_binary(self):
14992 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14993 return _IMP_core.SampleProvenance__get_as_binary(self)
14995 def _set_from_binary(self, p):
14996 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14997 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14999 def __getstate__(self):
15000 p = self._get_as_binary()
15001 if len(self.__dict__) > 1:
15002 d = self.__dict__.copy()
15007 def __setstate__(self, p):
15008 if not hasattr(self,
'this'):
15010 if isinstance(p, tuple):
15012 self.__dict__.update(d)
15013 return self._set_from_binary(p)
15015 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15018 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15019 class CombineProvenance(Provenance):
15020 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15022 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15024 def set_number_of_frames(self, frames):
15025 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15026 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15029 r"""get_number_of_frames(CombineProvenance self) -> int"""
15030 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15032 def set_number_of_runs(self, runs):
15033 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15034 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15036 def get_number_of_runs(self):
15037 r"""get_number_of_runs(CombineProvenance self) -> int"""
15038 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15040 def __init__(self, *args):
15042 __init__(CombineProvenance self) -> CombineProvenance
15043 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15044 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15046 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15049 def get_is_setup(*args):
15051 get_is_setup(Model m, ParticleIndex pi) -> bool
15052 get_is_setup(_ParticleAdaptor p) -> bool
15054 return _IMP_core.CombineProvenance_get_is_setup(*args)
15056 def show(self, *args):
15057 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15058 return _IMP_core.CombineProvenance_show(self, *args)
15061 def setup_particle(*args):
15063 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15064 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15065 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15066 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15068 return _IMP_core.CombineProvenance_setup_particle(*args)
15070 def add_attribute(self, *args):
15072 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15073 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15074 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15075 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15076 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15077 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15078 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15079 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15080 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15081 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15082 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15083 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15085 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15087 def get_value(self, *args):
15089 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15090 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15091 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15092 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15093 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15094 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15095 get_value(CombineProvenance self, ObjectKey a0) -> Object
15096 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15097 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15098 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15099 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15101 return _IMP_core.CombineProvenance_get_value(self, *args)
15103 def set_value(self, *args):
15105 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15106 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15107 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15108 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15109 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15110 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15111 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15112 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15113 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15114 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15115 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15117 return _IMP_core.CombineProvenance_set_value(self, *args)
15119 def remove_attribute(self, *args):
15121 remove_attribute(CombineProvenance self, FloatKey a0)
15122 remove_attribute(CombineProvenance self, IntKey a0)
15123 remove_attribute(CombineProvenance self, FloatsKey a0)
15124 remove_attribute(CombineProvenance self, IntsKey a0)
15125 remove_attribute(CombineProvenance self, StringKey a0)
15126 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15127 remove_attribute(CombineProvenance self, ObjectKey a0)
15128 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15129 remove_attribute(CombineProvenance self, SparseIntKey a0)
15130 remove_attribute(CombineProvenance self, SparseStringKey a0)
15131 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15133 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15135 def has_attribute(self, *args):
15137 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15138 has_attribute(CombineProvenance self, IntKey a0) -> bool
15139 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15140 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15141 has_attribute(CombineProvenance self, StringKey a0) -> bool
15142 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15143 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15144 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15145 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15146 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15147 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15149 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15151 def get_derivative(self, a0):
15152 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15153 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15155 def get_name(self):
15156 r"""get_name(CombineProvenance self) -> std::string"""
15157 return _IMP_core.CombineProvenance_get_name(self)
15159 def clear_caches(self):
15160 r"""clear_caches(CombineProvenance self)"""
15161 return _IMP_core.CombineProvenance_clear_caches(self)
15163 def set_name(self, a0):
15164 r"""set_name(CombineProvenance self, std::string a0)"""
15165 return _IMP_core.CombineProvenance_set_name(self, a0)
15168 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15169 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15171 def add_to_derivative(self, a0, a1, a2):
15172 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15173 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15175 def set_is_optimized(self, a0, a1):
15176 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15177 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15179 def get_is_optimized(self, a0):
15180 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15181 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15184 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15185 return _IMP_core.CombineProvenance_get_check_level(self)
15187 def __eq__(self, *args):
15189 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15190 __eq__(CombineProvenance self, Particle d) -> bool
15192 return _IMP_core.CombineProvenance___eq__(self, *args)
15194 def __ne__(self, *args):
15196 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15197 __ne__(CombineProvenance self, Particle d) -> bool
15199 return _IMP_core.CombineProvenance___ne__(self, *args)
15201 def __le__(self, *args):
15203 __le__(CombineProvenance self, CombineProvenance o) -> bool
15204 __le__(CombineProvenance self, Particle d) -> bool
15206 return _IMP_core.CombineProvenance___le__(self, *args)
15208 def __lt__(self, *args):
15210 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15211 __lt__(CombineProvenance self, Particle d) -> bool
15213 return _IMP_core.CombineProvenance___lt__(self, *args)
15215 def __ge__(self, *args):
15217 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15218 __ge__(CombineProvenance self, Particle d) -> bool
15220 return _IMP_core.CombineProvenance___ge__(self, *args)
15222 def __gt__(self, *args):
15224 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15225 __gt__(CombineProvenance self, Particle d) -> bool
15227 return _IMP_core.CombineProvenance___gt__(self, *args)
15229 def __hash__(self):
15230 r"""__hash__(CombineProvenance self) -> std::size_t"""
15231 return _IMP_core.CombineProvenance___hash__(self)
15234 r"""__str__(CombineProvenance self) -> std::string"""
15235 return _IMP_core.CombineProvenance___str__(self)
15237 def __repr__(self):
15238 r"""__repr__(CombineProvenance self) -> std::string"""
15239 return _IMP_core.CombineProvenance___repr__(self)
15241 def _get_as_binary(self):
15242 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15243 return _IMP_core.CombineProvenance__get_as_binary(self)
15245 def _set_from_binary(self, p):
15246 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15247 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15249 def __getstate__(self):
15250 p = self._get_as_binary()
15251 if len(self.__dict__) > 1:
15252 d = self.__dict__.copy()
15257 def __setstate__(self, p):
15258 if not hasattr(self,
'this'):
15260 if isinstance(p, tuple):
15262 self.__dict__.update(d)
15263 return self._set_from_binary(p)
15265 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15268 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15269 class FilterProvenance(Provenance):
15270 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15272 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15274 def set_method(self, method):
15275 r"""set_method(FilterProvenance self, std::string method)"""
15276 return _IMP_core.FilterProvenance_set_method(self, method)
15278 def get_method(self):
15279 r"""get_method(FilterProvenance self) -> std::string"""
15280 return _IMP_core.FilterProvenance_get_method(self)
15282 def set_number_of_frames(self, frames):
15283 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15284 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15287 r"""get_number_of_frames(FilterProvenance self) -> int"""
15288 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15290 def set_threshold(self, threshold):
15291 r"""set_threshold(FilterProvenance self, double threshold)"""
15292 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15294 def get_threshold(self):
15295 r"""get_threshold(FilterProvenance self) -> double"""
15296 return _IMP_core.FilterProvenance_get_threshold(self)
15298 def __init__(self, *args):
15300 __init__(FilterProvenance self) -> FilterProvenance
15301 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15302 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15304 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15307 def get_is_setup(*args):
15309 get_is_setup(Model m, ParticleIndex pi) -> bool
15310 get_is_setup(_ParticleAdaptor p) -> bool
15312 return _IMP_core.FilterProvenance_get_is_setup(*args)
15314 def show(self, *args):
15315 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15316 return _IMP_core.FilterProvenance_show(self, *args)
15319 def setup_particle(*args):
15321 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15322 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15323 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15324 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15326 return _IMP_core.FilterProvenance_setup_particle(*args)
15328 def add_attribute(self, *args):
15330 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15331 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15332 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15333 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15334 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15335 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15336 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15337 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15338 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15339 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15340 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15341 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15343 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15345 def get_value(self, *args):
15347 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15348 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15349 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15350 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15351 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15352 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15353 get_value(FilterProvenance self, ObjectKey a0) -> Object
15354 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15355 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15356 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15357 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15359 return _IMP_core.FilterProvenance_get_value(self, *args)
15361 def set_value(self, *args):
15363 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15364 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15365 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15366 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15367 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15368 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15369 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15370 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15371 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15372 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15373 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15375 return _IMP_core.FilterProvenance_set_value(self, *args)
15377 def remove_attribute(self, *args):
15379 remove_attribute(FilterProvenance self, FloatKey a0)
15380 remove_attribute(FilterProvenance self, IntKey a0)
15381 remove_attribute(FilterProvenance self, FloatsKey a0)
15382 remove_attribute(FilterProvenance self, IntsKey a0)
15383 remove_attribute(FilterProvenance self, StringKey a0)
15384 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15385 remove_attribute(FilterProvenance self, ObjectKey a0)
15386 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15387 remove_attribute(FilterProvenance self, SparseIntKey a0)
15388 remove_attribute(FilterProvenance self, SparseStringKey a0)
15389 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15391 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15393 def has_attribute(self, *args):
15395 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15396 has_attribute(FilterProvenance self, IntKey a0) -> bool
15397 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15398 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15399 has_attribute(FilterProvenance self, StringKey a0) -> bool
15400 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15401 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15402 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15403 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15404 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15405 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15407 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15409 def get_derivative(self, a0):
15410 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15411 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15413 def get_name(self):
15414 r"""get_name(FilterProvenance self) -> std::string"""
15415 return _IMP_core.FilterProvenance_get_name(self)
15417 def clear_caches(self):
15418 r"""clear_caches(FilterProvenance self)"""
15419 return _IMP_core.FilterProvenance_clear_caches(self)
15421 def set_name(self, a0):
15422 r"""set_name(FilterProvenance self, std::string a0)"""
15423 return _IMP_core.FilterProvenance_set_name(self, a0)
15426 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15427 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15429 def add_to_derivative(self, a0, a1, a2):
15430 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15431 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15433 def set_is_optimized(self, a0, a1):
15434 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15435 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15437 def get_is_optimized(self, a0):
15438 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15439 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15442 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15443 return _IMP_core.FilterProvenance_get_check_level(self)
15445 def __eq__(self, *args):
15447 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15448 __eq__(FilterProvenance self, Particle d) -> bool
15450 return _IMP_core.FilterProvenance___eq__(self, *args)
15452 def __ne__(self, *args):
15454 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15455 __ne__(FilterProvenance self, Particle d) -> bool
15457 return _IMP_core.FilterProvenance___ne__(self, *args)
15459 def __le__(self, *args):
15461 __le__(FilterProvenance self, FilterProvenance o) -> bool
15462 __le__(FilterProvenance self, Particle d) -> bool
15464 return _IMP_core.FilterProvenance___le__(self, *args)
15466 def __lt__(self, *args):
15468 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15469 __lt__(FilterProvenance self, Particle d) -> bool
15471 return _IMP_core.FilterProvenance___lt__(self, *args)
15473 def __ge__(self, *args):
15475 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15476 __ge__(FilterProvenance self, Particle d) -> bool
15478 return _IMP_core.FilterProvenance___ge__(self, *args)
15480 def __gt__(self, *args):
15482 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15483 __gt__(FilterProvenance self, Particle d) -> bool
15485 return _IMP_core.FilterProvenance___gt__(self, *args)
15487 def __hash__(self):
15488 r"""__hash__(FilterProvenance self) -> std::size_t"""
15489 return _IMP_core.FilterProvenance___hash__(self)
15492 r"""__str__(FilterProvenance self) -> std::string"""
15493 return _IMP_core.FilterProvenance___str__(self)
15495 def __repr__(self):
15496 r"""__repr__(FilterProvenance self) -> std::string"""
15497 return _IMP_core.FilterProvenance___repr__(self)
15499 def _get_as_binary(self):
15500 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15501 return _IMP_core.FilterProvenance__get_as_binary(self)
15503 def _set_from_binary(self, p):
15504 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15505 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15507 def __getstate__(self):
15508 p = self._get_as_binary()
15509 if len(self.__dict__) > 1:
15510 d = self.__dict__.copy()
15515 def __setstate__(self, p):
15516 if not hasattr(self,
'this'):
15518 if isinstance(p, tuple):
15520 self.__dict__.update(d)
15521 return self._set_from_binary(p)
15523 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15526 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15527 class ClusterProvenance(Provenance):
15528 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15530 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15532 def set_number_of_members(self, members):
15533 r"""set_number_of_members(ClusterProvenance self, int members)"""
15534 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15536 def get_number_of_members(self):
15537 r"""get_number_of_members(ClusterProvenance self) -> int"""
15538 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15540 def set_precision(self, precision):
15541 r"""set_precision(ClusterProvenance self, double precision)"""
15542 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15544 def get_precision(self):
15545 r"""get_precision(ClusterProvenance self) -> double"""
15546 return _IMP_core.ClusterProvenance_get_precision(self)
15548 def set_density(self, density):
15549 r"""set_density(ClusterProvenance self, std::string density)"""
15550 return _IMP_core.ClusterProvenance_set_density(self, density)
15552 def get_density(self):
15553 r"""get_density(ClusterProvenance self) -> std::string"""
15554 return _IMP_core.ClusterProvenance_get_density(self)
15556 def __init__(self, *args):
15558 __init__(ClusterProvenance self) -> ClusterProvenance
15559 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15560 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15562 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15565 def get_is_setup(*args):
15567 get_is_setup(Model m, ParticleIndex pi) -> bool
15568 get_is_setup(_ParticleAdaptor p) -> bool
15570 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15572 def show(self, *args):
15573 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15574 return _IMP_core.ClusterProvenance_show(self, *args)
15577 def setup_particle(*args):
15579 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15580 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15581 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15582 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15583 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15584 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15585 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15586 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15588 return _IMP_core.ClusterProvenance_setup_particle(*args)
15590 def add_attribute(self, *args):
15592 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15593 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15594 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15595 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15596 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15597 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15598 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15599 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15600 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15601 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15602 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15603 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15605 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15607 def get_value(self, *args):
15609 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15610 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15611 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15612 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15613 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15614 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15615 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15616 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15617 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15618 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15619 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15621 return _IMP_core.ClusterProvenance_get_value(self, *args)
15623 def set_value(self, *args):
15625 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15626 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15627 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15628 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15629 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15630 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15631 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15632 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15633 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15634 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15635 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15637 return _IMP_core.ClusterProvenance_set_value(self, *args)
15639 def remove_attribute(self, *args):
15641 remove_attribute(ClusterProvenance self, FloatKey a0)
15642 remove_attribute(ClusterProvenance self, IntKey a0)
15643 remove_attribute(ClusterProvenance self, FloatsKey a0)
15644 remove_attribute(ClusterProvenance self, IntsKey a0)
15645 remove_attribute(ClusterProvenance self, StringKey a0)
15646 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15647 remove_attribute(ClusterProvenance self, ObjectKey a0)
15648 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15649 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15650 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15651 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15653 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15655 def has_attribute(self, *args):
15657 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15658 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15659 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15660 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15661 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15662 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15663 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15664 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15665 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15666 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15667 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15669 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15671 def get_derivative(self, a0):
15672 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15673 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15675 def get_name(self):
15676 r"""get_name(ClusterProvenance self) -> std::string"""
15677 return _IMP_core.ClusterProvenance_get_name(self)
15679 def clear_caches(self):
15680 r"""clear_caches(ClusterProvenance self)"""
15681 return _IMP_core.ClusterProvenance_clear_caches(self)
15683 def set_name(self, a0):
15684 r"""set_name(ClusterProvenance self, std::string a0)"""
15685 return _IMP_core.ClusterProvenance_set_name(self, a0)
15688 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15689 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15691 def add_to_derivative(self, a0, a1, a2):
15692 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15693 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15695 def set_is_optimized(self, a0, a1):
15696 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15697 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15699 def get_is_optimized(self, a0):
15700 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15701 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15704 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15705 return _IMP_core.ClusterProvenance_get_check_level(self)
15707 def __eq__(self, *args):
15709 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15710 __eq__(ClusterProvenance self, Particle d) -> bool
15712 return _IMP_core.ClusterProvenance___eq__(self, *args)
15714 def __ne__(self, *args):
15716 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15717 __ne__(ClusterProvenance self, Particle d) -> bool
15719 return _IMP_core.ClusterProvenance___ne__(self, *args)
15721 def __le__(self, *args):
15723 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15724 __le__(ClusterProvenance self, Particle d) -> bool
15726 return _IMP_core.ClusterProvenance___le__(self, *args)
15728 def __lt__(self, *args):
15730 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15731 __lt__(ClusterProvenance self, Particle d) -> bool
15733 return _IMP_core.ClusterProvenance___lt__(self, *args)
15735 def __ge__(self, *args):
15737 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15738 __ge__(ClusterProvenance self, Particle d) -> bool
15740 return _IMP_core.ClusterProvenance___ge__(self, *args)
15742 def __gt__(self, *args):
15744 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15745 __gt__(ClusterProvenance self, Particle d) -> bool
15747 return _IMP_core.ClusterProvenance___gt__(self, *args)
15749 def __hash__(self):
15750 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15751 return _IMP_core.ClusterProvenance___hash__(self)
15754 r"""__str__(ClusterProvenance self) -> std::string"""
15755 return _IMP_core.ClusterProvenance___str__(self)
15757 def __repr__(self):
15758 r"""__repr__(ClusterProvenance self) -> std::string"""
15759 return _IMP_core.ClusterProvenance___repr__(self)
15761 def _get_as_binary(self):
15762 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15763 return _IMP_core.ClusterProvenance__get_as_binary(self)
15765 def _set_from_binary(self, p):
15766 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15767 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15769 def __getstate__(self):
15770 p = self._get_as_binary()
15771 if len(self.__dict__) > 1:
15772 d = self.__dict__.copy()
15777 def __setstate__(self, p):
15778 if not hasattr(self,
'this'):
15780 if isinstance(p, tuple):
15782 self.__dict__.update(d)
15783 return self._set_from_binary(p)
15785 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15788 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15789 class ScriptProvenance(Provenance):
15790 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15794 def set_filename(self, filename):
15795 r"""set_filename(ScriptProvenance self, std::string filename)"""
15796 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15798 def get_filename(self):
15799 r"""get_filename(ScriptProvenance self) -> std::string"""
15800 return _IMP_core.ScriptProvenance_get_filename(self)
15802 def __init__(self, *args):
15804 __init__(ScriptProvenance self) -> ScriptProvenance
15805 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15806 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15808 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15811 def get_is_setup(*args):
15813 get_is_setup(Model m, ParticleIndex pi) -> bool
15814 get_is_setup(_ParticleAdaptor p) -> bool
15816 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15818 def show(self, *args):
15819 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15820 return _IMP_core.ScriptProvenance_show(self, *args)
15823 def setup_particle(*args):
15825 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15826 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15827 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15828 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15830 return _IMP_core.ScriptProvenance_setup_particle(*args)
15832 def add_attribute(self, *args):
15834 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15835 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15836 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15837 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15838 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15839 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15840 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15841 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15842 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15843 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15844 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15845 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15847 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15849 def get_value(self, *args):
15851 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15852 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15853 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15854 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15855 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15856 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15857 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15858 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15859 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15860 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15861 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15863 return _IMP_core.ScriptProvenance_get_value(self, *args)
15865 def set_value(self, *args):
15867 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15868 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15869 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15870 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15871 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15872 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15873 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15874 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15875 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15876 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15877 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15879 return _IMP_core.ScriptProvenance_set_value(self, *args)
15881 def remove_attribute(self, *args):
15883 remove_attribute(ScriptProvenance self, FloatKey a0)
15884 remove_attribute(ScriptProvenance self, IntKey a0)
15885 remove_attribute(ScriptProvenance self, FloatsKey a0)
15886 remove_attribute(ScriptProvenance self, IntsKey a0)
15887 remove_attribute(ScriptProvenance self, StringKey a0)
15888 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15889 remove_attribute(ScriptProvenance self, ObjectKey a0)
15890 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15891 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15892 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15893 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15895 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15897 def has_attribute(self, *args):
15899 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15900 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15901 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15902 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15903 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15904 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15905 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15906 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15907 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15908 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15909 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15911 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15913 def get_derivative(self, a0):
15914 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15915 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15917 def get_name(self):
15918 r"""get_name(ScriptProvenance self) -> std::string"""
15919 return _IMP_core.ScriptProvenance_get_name(self)
15921 def clear_caches(self):
15922 r"""clear_caches(ScriptProvenance self)"""
15923 return _IMP_core.ScriptProvenance_clear_caches(self)
15925 def set_name(self, a0):
15926 r"""set_name(ScriptProvenance self, std::string a0)"""
15927 return _IMP_core.ScriptProvenance_set_name(self, a0)
15930 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15931 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15933 def add_to_derivative(self, a0, a1, a2):
15934 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15935 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15937 def set_is_optimized(self, a0, a1):
15938 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15939 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15941 def get_is_optimized(self, a0):
15942 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15943 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15946 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15947 return _IMP_core.ScriptProvenance_get_check_level(self)
15949 def __eq__(self, *args):
15951 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15952 __eq__(ScriptProvenance self, Particle d) -> bool
15954 return _IMP_core.ScriptProvenance___eq__(self, *args)
15956 def __ne__(self, *args):
15958 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15959 __ne__(ScriptProvenance self, Particle d) -> bool
15961 return _IMP_core.ScriptProvenance___ne__(self, *args)
15963 def __le__(self, *args):
15965 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15966 __le__(ScriptProvenance self, Particle d) -> bool
15968 return _IMP_core.ScriptProvenance___le__(self, *args)
15970 def __lt__(self, *args):
15972 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15973 __lt__(ScriptProvenance self, Particle d) -> bool
15975 return _IMP_core.ScriptProvenance___lt__(self, *args)
15977 def __ge__(self, *args):
15979 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15980 __ge__(ScriptProvenance self, Particle d) -> bool
15982 return _IMP_core.ScriptProvenance___ge__(self, *args)
15984 def __gt__(self, *args):
15986 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15987 __gt__(ScriptProvenance self, Particle d) -> bool
15989 return _IMP_core.ScriptProvenance___gt__(self, *args)
15991 def __hash__(self):
15992 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15993 return _IMP_core.ScriptProvenance___hash__(self)
15996 r"""__str__(ScriptProvenance self) -> std::string"""
15997 return _IMP_core.ScriptProvenance___str__(self)
15999 def __repr__(self):
16000 r"""__repr__(ScriptProvenance self) -> std::string"""
16001 return _IMP_core.ScriptProvenance___repr__(self)
16003 def _get_as_binary(self):
16004 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16005 return _IMP_core.ScriptProvenance__get_as_binary(self)
16007 def _set_from_binary(self, p):
16008 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16009 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16011 def __getstate__(self):
16012 p = self._get_as_binary()
16013 if len(self.__dict__) > 1:
16014 d = self.__dict__.copy()
16019 def __setstate__(self, p):
16020 if not hasattr(self,
'this'):
16022 if isinstance(p, tuple):
16024 self.__dict__.update(d)
16025 return self._set_from_binary(p)
16027 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16030 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16031 class SoftwareProvenance(Provenance):
16032 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16036 def set_software_name(self, name):
16037 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16038 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16040 def get_software_name(self):
16041 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16042 return _IMP_core.SoftwareProvenance_get_software_name(self)
16044 def set_version(self, version):
16045 r"""set_version(SoftwareProvenance self, std::string version)"""
16046 return _IMP_core.SoftwareProvenance_set_version(self, version)
16048 def get_version(self):
16049 r"""get_version(SoftwareProvenance self) -> std::string"""
16050 return _IMP_core.SoftwareProvenance_get_version(self)
16052 def set_location(self, location):
16053 r"""set_location(SoftwareProvenance self, std::string location)"""
16054 return _IMP_core.SoftwareProvenance_set_location(self, location)
16056 def get_location(self):
16057 r"""get_location(SoftwareProvenance self) -> std::string"""
16058 return _IMP_core.SoftwareProvenance_get_location(self)
16060 def __init__(self, *args):
16062 __init__(SoftwareProvenance self) -> SoftwareProvenance
16063 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16064 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16066 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16069 def get_is_setup(*args):
16071 get_is_setup(Model m, ParticleIndex pi) -> bool
16072 get_is_setup(_ParticleAdaptor p) -> bool
16074 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16076 def show(self, *args):
16077 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16078 return _IMP_core.SoftwareProvenance_show(self, *args)
16081 def setup_particle(*args):
16083 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16084 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16085 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16086 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16088 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16090 def add_attribute(self, *args):
16092 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16093 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16094 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16095 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16096 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16097 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16098 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16099 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16100 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16101 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16102 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16103 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16105 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16107 def get_value(self, *args):
16109 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16110 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16111 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16112 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16113 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16114 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16115 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16116 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16117 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16118 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16119 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16121 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16123 def set_value(self, *args):
16125 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16126 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16127 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16128 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16129 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16130 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16131 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16132 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16133 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16134 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16135 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16137 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16139 def remove_attribute(self, *args):
16141 remove_attribute(SoftwareProvenance self, FloatKey a0)
16142 remove_attribute(SoftwareProvenance self, IntKey a0)
16143 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16144 remove_attribute(SoftwareProvenance self, IntsKey a0)
16145 remove_attribute(SoftwareProvenance self, StringKey a0)
16146 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16147 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16148 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16149 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16150 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16151 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16153 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16155 def has_attribute(self, *args):
16157 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16158 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16159 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16160 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16161 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16162 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16163 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16164 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16165 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16166 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16167 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16169 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16171 def get_derivative(self, a0):
16172 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16173 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16175 def get_name(self):
16176 r"""get_name(SoftwareProvenance self) -> std::string"""
16177 return _IMP_core.SoftwareProvenance_get_name(self)
16179 def clear_caches(self):
16180 r"""clear_caches(SoftwareProvenance self)"""
16181 return _IMP_core.SoftwareProvenance_clear_caches(self)
16183 def set_name(self, a0):
16184 r"""set_name(SoftwareProvenance self, std::string a0)"""
16185 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16188 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16189 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16191 def add_to_derivative(self, a0, a1, a2):
16192 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16193 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16195 def set_is_optimized(self, a0, a1):
16196 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16197 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16199 def get_is_optimized(self, a0):
16200 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16201 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16204 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16205 return _IMP_core.SoftwareProvenance_get_check_level(self)
16207 def __eq__(self, *args):
16209 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16210 __eq__(SoftwareProvenance self, Particle d) -> bool
16212 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16214 def __ne__(self, *args):
16216 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16217 __ne__(SoftwareProvenance self, Particle d) -> bool
16219 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16221 def __le__(self, *args):
16223 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16224 __le__(SoftwareProvenance self, Particle d) -> bool
16226 return _IMP_core.SoftwareProvenance___le__(self, *args)
16228 def __lt__(self, *args):
16230 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16231 __lt__(SoftwareProvenance self, Particle d) -> bool
16233 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16235 def __ge__(self, *args):
16237 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16238 __ge__(SoftwareProvenance self, Particle d) -> bool
16240 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16242 def __gt__(self, *args):
16244 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16245 __gt__(SoftwareProvenance self, Particle d) -> bool
16247 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16249 def __hash__(self):
16250 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16251 return _IMP_core.SoftwareProvenance___hash__(self)
16254 r"""__str__(SoftwareProvenance self) -> std::string"""
16255 return _IMP_core.SoftwareProvenance___str__(self)
16257 def __repr__(self):
16258 r"""__repr__(SoftwareProvenance self) -> std::string"""
16259 return _IMP_core.SoftwareProvenance___repr__(self)
16261 def _get_as_binary(self):
16262 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16263 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16265 def _set_from_binary(self, p):
16266 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16267 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16269 def __getstate__(self):
16270 p = self._get_as_binary()
16271 if len(self.__dict__) > 1:
16272 d = self.__dict__.copy()
16277 def __setstate__(self, p):
16278 if not hasattr(self,
'this'):
16280 if isinstance(p, tuple):
16282 self.__dict__.update(d)
16283 return self._set_from_binary(p)
16285 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16288 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16290 r"""Proxy of C++ IMP::core::Provenanced class."""
16292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16294 def get_provenance(self):
16295 r"""get_provenance(Provenanced self) -> Provenance"""
16296 return _IMP_core.Provenanced_get_provenance(self)
16298 def set_provenance(self, p):
16299 r"""set_provenance(Provenanced self, Provenance p)"""
16300 return _IMP_core.Provenanced_set_provenance(self, p)
16302 def __init__(self, *args):
16304 __init__(Provenanced self) -> Provenanced
16305 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16306 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16308 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16311 def get_is_setup(*args):
16313 get_is_setup(Model m, ParticleIndex pi) -> bool
16314 get_is_setup(_ParticleAdaptor p) -> bool
16316 return _IMP_core.Provenanced_get_is_setup(*args)
16318 def show(self, *args):
16319 r"""show(Provenanced self, _ostream out=std::cout)"""
16320 return _IMP_core.Provenanced_show(self, *args)
16323 def setup_particle(*args):
16325 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16326 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16328 return _IMP_core.Provenanced_setup_particle(*args)
16330 def add_attribute(self, *args):
16332 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16333 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16334 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16335 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16336 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16337 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16338 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16339 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16340 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16341 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16342 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16343 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16345 return _IMP_core.Provenanced_add_attribute(self, *args)
16347 def get_value(self, *args):
16349 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16350 get_value(Provenanced self, IntKey a0) -> IMP::Int
16351 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16352 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16353 get_value(Provenanced self, StringKey a0) -> IMP::String
16354 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16355 get_value(Provenanced self, ObjectKey a0) -> Object
16356 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16357 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16358 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16359 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16361 return _IMP_core.Provenanced_get_value(self, *args)
16363 def set_value(self, *args):
16365 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16366 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16367 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16368 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16369 set_value(Provenanced self, StringKey a0, IMP::String a1)
16370 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16371 set_value(Provenanced self, ObjectKey a0, Object a1)
16372 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16373 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16374 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16375 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16377 return _IMP_core.Provenanced_set_value(self, *args)
16379 def remove_attribute(self, *args):
16381 remove_attribute(Provenanced self, FloatKey a0)
16382 remove_attribute(Provenanced self, IntKey a0)
16383 remove_attribute(Provenanced self, FloatsKey a0)
16384 remove_attribute(Provenanced self, IntsKey a0)
16385 remove_attribute(Provenanced self, StringKey a0)
16386 remove_attribute(Provenanced self, ParticleIndexKey a0)
16387 remove_attribute(Provenanced self, ObjectKey a0)
16388 remove_attribute(Provenanced self, SparseFloatKey a0)
16389 remove_attribute(Provenanced self, SparseIntKey a0)
16390 remove_attribute(Provenanced self, SparseStringKey a0)
16391 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16393 return _IMP_core.Provenanced_remove_attribute(self, *args)
16395 def has_attribute(self, *args):
16397 has_attribute(Provenanced self, FloatKey a0) -> bool
16398 has_attribute(Provenanced self, IntKey a0) -> bool
16399 has_attribute(Provenanced self, FloatsKey a0) -> bool
16400 has_attribute(Provenanced self, IntsKey a0) -> bool
16401 has_attribute(Provenanced self, StringKey a0) -> bool
16402 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16403 has_attribute(Provenanced self, ObjectKey a0) -> bool
16404 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16405 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16406 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16407 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16409 return _IMP_core.Provenanced_has_attribute(self, *args)
16411 def get_derivative(self, a0):
16412 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16413 return _IMP_core.Provenanced_get_derivative(self, a0)
16415 def get_name(self):
16416 r"""get_name(Provenanced self) -> std::string"""
16417 return _IMP_core.Provenanced_get_name(self)
16419 def clear_caches(self):
16420 r"""clear_caches(Provenanced self)"""
16421 return _IMP_core.Provenanced_clear_caches(self)
16423 def set_name(self, a0):
16424 r"""set_name(Provenanced self, std::string a0)"""
16425 return _IMP_core.Provenanced_set_name(self, a0)
16428 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16429 return _IMP_core.Provenanced_set_check_level(self, a0)
16431 def add_to_derivative(self, a0, a1, a2):
16432 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16433 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16435 def set_is_optimized(self, a0, a1):
16436 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16437 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16439 def get_is_optimized(self, a0):
16440 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16441 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16444 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16445 return _IMP_core.Provenanced_get_check_level(self)
16447 def __eq__(self, *args):
16449 __eq__(Provenanced self, Provenanced o) -> bool
16450 __eq__(Provenanced self, Particle d) -> bool
16452 return _IMP_core.Provenanced___eq__(self, *args)
16454 def __ne__(self, *args):
16456 __ne__(Provenanced self, Provenanced o) -> bool
16457 __ne__(Provenanced self, Particle d) -> bool
16459 return _IMP_core.Provenanced___ne__(self, *args)
16461 def __le__(self, *args):
16463 __le__(Provenanced self, Provenanced o) -> bool
16464 __le__(Provenanced self, Particle d) -> bool
16466 return _IMP_core.Provenanced___le__(self, *args)
16468 def __lt__(self, *args):
16470 __lt__(Provenanced self, Provenanced o) -> bool
16471 __lt__(Provenanced self, Particle d) -> bool
16473 return _IMP_core.Provenanced___lt__(self, *args)
16475 def __ge__(self, *args):
16477 __ge__(Provenanced self, Provenanced o) -> bool
16478 __ge__(Provenanced self, Particle d) -> bool
16480 return _IMP_core.Provenanced___ge__(self, *args)
16482 def __gt__(self, *args):
16484 __gt__(Provenanced self, Provenanced o) -> bool
16485 __gt__(Provenanced self, Particle d) -> bool
16487 return _IMP_core.Provenanced___gt__(self, *args)
16489 def __hash__(self):
16490 r"""__hash__(Provenanced self) -> std::size_t"""
16491 return _IMP_core.Provenanced___hash__(self)
16494 r"""__str__(Provenanced self) -> std::string"""
16495 return _IMP_core.Provenanced___str__(self)
16497 def __repr__(self):
16498 r"""__repr__(Provenanced self) -> std::string"""
16499 return _IMP_core.Provenanced___repr__(self)
16501 def _get_as_binary(self):
16502 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16503 return _IMP_core.Provenanced__get_as_binary(self)
16505 def _set_from_binary(self, p):
16506 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16507 return _IMP_core.Provenanced__set_from_binary(self, p)
16509 def __getstate__(self):
16510 p = self._get_as_binary()
16511 if len(self.__dict__) > 1:
16512 d = self.__dict__.copy()
16517 def __setstate__(self, p):
16518 if not hasattr(self,
'this'):
16520 if isinstance(p, tuple):
16522 self.__dict__.update(d)
16523 return self._set_from_binary(p)
16525 __swig_destroy__ = _IMP_core.delete_Provenanced
16528 _IMP_core.Provenanced_swigregister(Provenanced)
16531 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16532 return _IMP_core.add_provenance(m, pi, p)
16535 r"""create_clone(Provenance p) -> Provenance"""
16536 return _IMP_core.create_clone(p)
16540 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16541 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
16542 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
16544 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16547 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16548 return _IMP_core.create_restraint(ps, pp)
16550 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16552 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16554 def __init__(self, *args):
16556 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16557 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16559 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16561 def get_version_info(self):
16562 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16563 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16564 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16567 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16568 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16570 def __repr__(self):
16571 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16572 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16576 return _object_cast_to_TruncatedHarmonic(o)
16580 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16582 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16586 def __init__(self, *args):
16588 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16589 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16591 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16593 def get_version_info(self):
16594 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16595 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16596 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16599 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16600 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16602 def __repr__(self):
16603 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16604 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16608 return _object_cast_to_TruncatedHarmonic(o)
16612 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16614 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16616 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16618 def __init__(self, *args):
16620 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16621 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16623 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16625 def get_version_info(self):
16626 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16627 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16628 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16631 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16632 return _IMP_core.TruncatedHarmonicBound___str__(self)
16634 def __repr__(self):
16635 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16636 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16640 return _object_cast_to_TruncatedHarmonic(o)
16644 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16646 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16648 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16650 def __init__(self, *args):
16652 __init__(ParticleType self) -> ParticleType
16653 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16654 __init__(ParticleType self, unsigned int i) -> ParticleType
16656 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16660 r"""add_key(std::string sc) -> unsigned int"""
16661 return _IMP_core.ParticleType_add_key(sc)
16664 def get_key_exists(sc):
16665 r"""get_key_exists(std::string sc) -> bool"""
16666 return _IMP_core.ParticleType_get_key_exists(sc)
16668 def get_string(self):
16669 r"""get_string(ParticleType self) -> std::string const"""
16670 return _IMP_core.ParticleType_get_string(self)
16672 def __cmp__(self, o):
16673 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16674 return _IMP_core.ParticleType___cmp__(self, o)
16676 def __eq__(self, o):
16677 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16678 return _IMP_core.ParticleType___eq__(self, o)
16680 def __ne__(self, o):
16681 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16682 return _IMP_core.ParticleType___ne__(self, o)
16684 def __lt__(self, o):
16685 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16686 return _IMP_core.ParticleType___lt__(self, o)
16688 def __gt__(self, o):
16689 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16690 return _IMP_core.ParticleType___gt__(self, o)
16692 def __ge__(self, o):
16693 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16694 return _IMP_core.ParticleType___ge__(self, o)
16696 def __le__(self, o):
16697 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16698 return _IMP_core.ParticleType___le__(self, o)
16700 def __hash__(self):
16701 r"""__hash__(ParticleType self) -> std::size_t"""
16702 return _IMP_core.ParticleType___hash__(self)
16704 def show(self, *args):
16705 r"""show(ParticleType self, _ostream out=std::cout)"""
16706 return _IMP_core.ParticleType_show(self, *args)
16709 def add_alias(old_key, new_name):
16710 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16711 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16714 def get_number_of_keys():
16715 r"""get_number_of_keys() -> unsigned int"""
16716 return _IMP_core.ParticleType_get_number_of_keys()
16719 r"""get_index(ParticleType self) -> unsigned int"""
16720 return _IMP_core.ParticleType_get_index(self)
16724 r"""show_all(_ostream out)"""
16725 return _IMP_core.ParticleType_show_all(out)
16728 def get_all_strings():
16729 r"""get_all_strings() -> IMP::Vector< std::string >"""
16730 return _IMP_core.ParticleType_get_all_strings()
16733 def get_number_unique():
16734 r"""get_number_unique() -> unsigned int"""
16735 return _IMP_core.ParticleType_get_number_unique()
16738 r"""__str__(ParticleType self) -> std::string"""
16739 return _IMP_core.ParticleType___str__(self)
16741 def __repr__(self):
16742 r"""__repr__(ParticleType self) -> std::string"""
16743 return _IMP_core.ParticleType___repr__(self)
16744 __swig_destroy__ = _IMP_core.delete_ParticleType
16747 _IMP_core.ParticleType_swigregister(ParticleType)
16749 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16752 __repr__ = _swig_repr
16754 def __init__(self, f, k):
16755 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16756 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16758 def do_get_inputs(self, m, pis):
16759 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16760 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16762 def get_unary_function(self):
16763 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16764 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16767 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16768 return _IMP_core.AttributeSingletonScore_get_key(self)
16770 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16771 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"""
16772 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16774 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16775 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"""
16776 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16778 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16779 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"""
16780 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16782 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16783 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"""
16784 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16786 def get_version_info(self):
16787 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16788 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16789 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16793 return _object_cast_to_AttributeSingletonScore(o)
16796 def _get_jax(self, m, indexes):
16797 def score_float_key(jm, key, uf):
16798 return uf(jm[key][indexes])
16800 def score_xyz_key(jm, xyz_index, uf):
16801 return uf(jm[
'xyz'][indexes, xyz_index])
16803 uf = self.get_unary_function().get_derived_object()._get_jax()
16804 key = self.get_key()
16807 if key.get_index() >= 7:
16809 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16810 elif key == XYZR.get_radius_key():
16812 f = functools.partial(score_float_key, key=
'r', uf=uf)
16813 elif key
in XYZ.get_xyz_keys():
16815 xyz_index = XYZ.get_xyz_keys().index(key)
16816 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16818 raise NotImplementedError(
"No support for key %s" % key)
16819 return self._wrap_jax(m, f, keys=need_keys)
16823 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16826 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16827 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16829 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16831 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16832 __repr__ = _swig_repr
16834 def __init__(self, f, bb):
16835 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16836 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16838 def get_unary_function(self):
16839 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16840 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16843 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16844 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16846 def do_get_inputs(self, m, pis):
16847 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16848 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16850 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16851 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"""
16852 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16854 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16855 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"""
16856 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16858 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16859 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"""
16860 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16862 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16863 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"""
16864 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16866 def get_version_info(self):
16867 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16868 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16869 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16873 return _object_cast_to_BoundingBox3DSingletonScore(o)
16876 def _get_jax(self, m, indexes):
16877 import jax.numpy
as jnp
16878 def score(jm, box_min, box_max, uf):
16879 xyzs = jm[
'xyz'][indexes]
16886 drs = jnp.linalg.norm(
16887 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16889 uf = self.get_unary_function().get_derived_object()
16890 bb = self.get_bounding_box()
16891 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16892 box_max=jnp.asarray(bb.get_corner(1)),
16894 return self._wrap_jax(m, f)
16898 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16900 def create_bounding_box_3d_singleton_score(f, bb):
16901 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16902 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16904 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16907 __repr__ = _swig_repr
16909 def __init__(self, f, sphere):
16910 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16911 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16913 def do_get_inputs(self, m, pis):
16914 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16915 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16917 def get_unary_function(self):
16918 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
16919 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
16921 def get_sphere(self):
16922 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
16923 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
16925 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16926 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"""
16927 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16929 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16930 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"""
16931 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16933 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16934 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"""
16935 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16937 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16938 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"""
16939 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16941 def get_version_info(self):
16942 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16943 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16944 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16948 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16951 def _get_jax(self, m, indexes):
16952 import jax.numpy
as jnp
16954 def score_with_radius(jm, inds, center, radius):
16955 xyzs = jm[
'xyz'][inds]
16956 radii = jm[
'r'][inds]
16957 drs = jnp.linalg.norm(xyzs - center) + radii - radius
16958 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16959 def score_without_radius(jm, inds, center, radius):
16960 xyzs = jm[
'xyz'][inds]
16961 drs = jnp.linalg.norm(xyzs - center) - radius
16962 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16963 without_radii_inds = []
16964 with_radii_inds = []
16965 for ind
in indexes:
16966 if XYZR.get_is_setup(m, ind):
16967 with_radii_inds.append(ind)
16969 without_radii_inds.append(ind)
16970 without_radii_inds = jnp.asarray(without_radii_inds)
16971 with_radii_inds = jnp.asarray(with_radii_inds)
16972 uf = self.get_unary_function().get_derived_object()._get_jax()
16973 sphere = self.get_sphere()
16974 radius = sphere.get_radius()
16975 center = jnp.asarray(sphere.get_center())
16978 if without_radii_inds.size > 0:
16979 s += score_without_radius(jm, without_radii_inds,
16981 if with_radii_inds.size > 0:
16982 s += score_with_radius(jm, with_radii_inds, center, radius)
16984 return self._wrap_jax(m, score)
16988 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16990 def create_bounding_sphere_3d_singleton_score(f, sphere):
16991 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16992 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16994 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16996 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16997 __repr__ = _swig_repr
16999 def __init__(self, *args):
17001 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17002 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17004 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17006 def do_get_inputs(self, m, pis):
17007 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17008 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17010 def get_unary_function(self):
17011 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17012 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17014 def get_point(self):
17015 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17016 return _IMP_core.DistanceToSingletonScore_get_point(self)
17018 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17019 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"""
17020 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17022 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17023 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"""
17024 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17026 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17027 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"""
17028 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17030 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17031 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"""
17032 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17034 def get_version_info(self):
17035 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17036 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17037 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17041 return _object_cast_to_DistanceToSingletonScore(o)
17044 def _get_as_binary(self):
17045 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17046 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17048 def _set_from_binary(self, p):
17049 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17050 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17052 def __getstate__(self):
17053 p = self._get_as_binary()
17054 if len(self.__dict__) > 1:
17055 d = self.__dict__.copy()
17060 def __setstate__(self, p):
17061 if not hasattr(self,
'this'):
17063 if isinstance(p, tuple):
17065 self.__dict__.update(d)
17066 return self._set_from_binary(p)
17069 def _get_jax(self, m, indexes):
17070 import jax.numpy
as jnp
17071 def score(jm, point, uf):
17072 xyzs = jm[
'xyz'][indexes]
17073 drs = jnp.linalg.norm(xyzs - point, axis=1)
17075 uf = self.get_unary_function().get_derived_object()
17076 f = functools.partial(score, point=jnp.array(self.get_point()),
17078 return self._wrap_jax(m, f)
17082 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17084 def create_distance_to_singleton_score(f, pt):
17085 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17086 return _IMP_core.create_distance_to_singleton_score(f, pt)
17088 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17089 def __init__(self, uf):
17090 if isinstance(uf, HarmonicUpperBound):
17091 p = HarmonicUpperBoundSphereDistancePairScore(
17092 uf.get_mean(), uf.get_k())
17093 elif isinstance(uf, HarmonicLowerBound):
17094 if uf.get_mean() == 0.0:
17095 p = SoftSpherePairScore(uf.get_k())
17097 p = _SphereDistancePairScore(uf)
17098 elif isinstance(uf, Harmonic):
17099 p = HarmonicSphereDistancePairScore(
17100 uf.get_mean(), uf.get_k())
17102 p = _SphereDistancePairScore(uf)
17103 self.__dict__[
'_proxied'] = p
17104 def __getattr__(self, key):
17105 return getattr(self._proxied, key)
17106 def __setattr__(self, key, val):
17107 return setattr(self._proxied, key, val)
17109 def __getstate__(self):
17110 return self.__dict__[
'_proxied']
17112 def __setstate__(self, p):
17113 self.__dict__[
'_proxied'] = p
17115 def _get_jax(self, *args, **kwargs):
17116 return self._proxied._get_jax(*args, **kwargs)
17121 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17124 p = HarmonicSphereDistancePairScore.get_from(o)
17127 p = SoftSpherePairScore.get_from(o)
17129 p = _SphereDistancePairScore.get_from(o)
17130 obj = object.__new__(SphereDistancePairScore)
17131 obj.__dict__[
'_proxied'] = p
17137 CombineProvenance, FilterProvenance,
17138 ClusterProvenance, ScriptProvenance,
17139 SoftwareProvenance]):
17140 """Yield all provenance decorators of the given types for the particle.
17141 By default, all provenance types are returned. Provenance is returned
17142 in order, most recent first. If the particle has no provenance
17143 information, an empty generator is returned."""
17144 if Provenanced.get_is_setup(p):
17148 if c.get_is_setup(prov):
17150 prov = prov.get_previous()
17153 """Tag the given particle with the current Python script.
17154 This is a noop if the particle is already so tagged."""
17155 main = sys.modules[
'__main__']
17157 if not hasattr(main,
'__file__'):
17161 if prov.get_filename() == f:
17165 provp.set_name(
'script')
17166 prov = ScriptProvenance.setup_particle(provp, f)
17170 """Tag the given particle with the software used to create it.
17171 This is a noop if the particle is already so tagged."""
17173 if prov.get_software_name() == name
and prov.get_version() == version \
17174 and prov.get_location() == location:
17178 provp.set_name(
'software')
17179 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17183 """Tag the given particle as being created by the current version of IMP."""
17186 location=
"https://integrativemodeling.org")
17189 def get_module_name():
17190 r"""get_module_name() -> std::string const"""
17191 return _IMP_core.get_module_name()
17194 r"""get_module_version() -> std::string const"""
17195 return _IMP_core.get_module_version()
17198 r"""get_example_path(std::string fname) -> std::string"""
17199 return _IMP_core.get_example_path(fname)
17202 r"""get_data_path(std::string fname) -> std::string"""
17203 return _IMP_core.get_data_path(fname)
17205 from .
import _version_check
F visit_breadth_first(HD d, F f)
Apply the visitor to each particle, breadth first.
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
GenericDistanceToSingletonScore< UnaryFunction > DistanceToSingletonScore
Rotation3D get_rotation_about_normalized_axis(const Vector3D &axis_norm, double angle)
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
Abstract class for scoring object(s) of type ParticleIndexPair.
double get_height(const Surface &s, const XYZR &d)
Get height of sphere above surface.
algebra::Transformation3D get_transformation_aligning_first_to_second(XYZsOrVector3ds a, XYZsOrVector3ds b)
double get_mean(const cv::Mat &mat, const cvIntMat &mask)
CheckLevel get_check_level()
Get the current audit mode.
def add_script_provenance
Tag the given particle with the current Python script.
GenericBoundingSphere3DSingletonScore< UnaryFunction > BoundingSphere3DSingletonScore
Abstract predicate function.
Restraint * create_restraint(Score *s, const typename Score::Argument &t, std::string name=std::string())
ParticleIndex get_root_rigid_body(RigidMember m)
Return the index of the outer-most rigid body containing the member.
algebra::ReferenceFrame3D get_initial_reference_frame(Model *m, const ParticleIndexes &pis)
The base class for geometry.
F visit_depth_first(HD d, F &f)
Apply functor F to each particle, traversing the hierarchy depth first.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
A base class for geometry contained in particles.
double get_angle(Direction a, Direction b)
Get angle between directions.
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
Make CGAL functionality available to IMP.
Provenance create_clone(Provenance p)
Clone provenance (including previous provenance)
ParticlesTemp create_rigid_bodies(Model *m, unsigned int n, bool no_members=false)
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_rigid_body_cache_key(ObjectKey k)
Base class for all samplers.
Key< 34897493 > ParticleType
An IMP::Key object for identifying types of particles by strings.
algebra::Vector3D get_centroid(const XYZs &ps)
Get the centroid.
void add_particle(RMF::FileHandle fh, Particle *hs)
GenericHierarchies get_leaves(Hierarchy mhd)
Get all the leaves of the bit of hierarchy.
static FloatKeys get_internal_coordinate_keys()
Composable functors to implement scores via compile-time composition.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
GenericHierarchies get_all_descendants(Hierarchy mhd)
Get all the particles in the subtree.
A base class for geometry from a set of particles.
def add_imp_provenance
Tag the given particle as being created by the current version of IMP.
display::Geometries create_blame_geometries(const RestraintsTemp &rs, const ParticlesTemp &ps, double max=NO_MAX, std::string name=std::string())
void show_rigid_body_hierarchy(RigidBody rb, TextOutput out=TextOutput(std::cout))
Implement a constraint on the Model.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
def add_software_provenance
Tag the given particle with the software used to create it.
Base class for objects in a Model that depend on other objects.
Abstract predicate function.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
int get_number_of_frames(const ::npctransport_proto::Assignment &config, double time_step)
Abstract class for scoring object(s) of type ParticleIndex.
ScoreStates maintain invariants in the Model.
Base class for all optimizers.
GenericAttributeSingletonScore< UnaryFunction > AttributeSingletonScore
SurfaceGeometry * create_geometry(const Surface s, std::string name=std::string("SurfaceGeometry%1%"))
Create a geometry from a Surface.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
algebra::BoundingBoxD< 3 > get_bounding_box(const XYZRs &ps)
Get the bounding box.
const algebra::Vector3D & get_vector_geometry(XYZ d)
GenericHierarchies get_internal(Hierarchy mhd)
Get all the non-leaves of the bit of hierarchy.
Interface to specialized Particle types (e.g. atoms)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
algebra::Sphere3D get_enclosing_sphere(const XYZs &v)
Get a sphere enclosing the set of XYZRs.
Base class for optimizers that act on individual attributes.
SurfaceGeometry * get_constrained_surface_geometry(const Surface s, std::string name="SurfaceGeometry%1%")
Get surface geometry constrained to the surface.
Abstract predicate function.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Represents a scoring function on the model.
void set_vector_geometry(XYZ d, const algebra::Vector3D &v)
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract predicate function.
GenericBoundingBox3DSingletonScore< UnaryFunction > BoundingBox3DSingletonScore
Abstract class to implement hierarchical methods.
double get_depth(const Surface &s, const XYZR &d)
Get depth of sphere below surface.
void set_enclosing_radius(XYZR b, const XYZs &v)
Set the radius of the first to enclose the list.
Class to handle individual particles of a Model object.
GenericAttributeSingletonScore< UF > * create_generic_attribute_singleton_score(UF *uf, FloatKey k)
void transform(RigidBody a, const algebra::Transformation3D &tr)
Transform a rigid body.
void assign_blame(const RestraintsTemp &rs, const ParticlesTemp &ps, FloatKey attribute)
std::string get_module_version()
Return the version of this module, as a string.
TruncatedHarmonic< BOTH > TruncatedHarmonicBound
TruncatedHarmonic< UPPER > TruncatedHarmonicUpperBound
static const FloatKeys & get_xyz_keys()
Get a vector containing the keys for x,y,z.
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
def get_all_provenance
Yield all provenance decorators of the given types for the particle.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void add_provenance(Model *m, ParticleIndex pi, Provenance p)
Add provenance to part of the model.
Tag part of the system to track how it was created.
double get_distance(const Surface &s, const XYZR &d)
Get distance from sphere to surface.
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract single variable functor class for score functions.
void set_enclosing_sphere(XYZR b, const XYZs &v, double slack=0)
Set the coordinates and radius of the first to enclose the list.
TruncatedHarmonic< LOWER > TruncatedHarmonicLowerBound
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
std::string get_module_version()
Return the version of this module, as a string.
A restraint is a term in an IMP ScoringFunction.