20 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 class _SwigNonDynamicMeta(type):
53 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
54 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
59 class IMP_ISD_SwigPyIterator(object):
60 r"""Proxy of C++ swig::IMP_ISD_SwigPyIterator class."""
62 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
64 def __init__(self, *args, **kwargs):
65 raise AttributeError(
"No constructor defined - class is abstract")
67 __swig_destroy__ = _IMP_isd.delete_IMP_ISD_SwigPyIterator
70 r"""value(IMP_ISD_SwigPyIterator self) -> PyObject *"""
71 return _IMP_isd.IMP_ISD_SwigPyIterator_value(self)
74 r"""incr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
75 return _IMP_isd.IMP_ISD_SwigPyIterator_incr(self, n)
78 r"""decr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
79 return _IMP_isd.IMP_ISD_SwigPyIterator_decr(self, n)
81 def distance(self, x):
82 r"""distance(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t"""
83 return _IMP_isd.IMP_ISD_SwigPyIterator_distance(self, x)
86 r"""equal(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
87 return _IMP_isd.IMP_ISD_SwigPyIterator_equal(self, x)
90 r"""copy(IMP_ISD_SwigPyIterator self) -> IMP_ISD_SwigPyIterator"""
91 return _IMP_isd.IMP_ISD_SwigPyIterator_copy(self)
94 r"""__next__(IMP_ISD_SwigPyIterator self) -> PyObject *"""
95 return _IMP_isd.IMP_ISD_SwigPyIterator___next__(self)
98 r"""previous(IMP_ISD_SwigPyIterator self) -> PyObject *"""
99 return _IMP_isd.IMP_ISD_SwigPyIterator_previous(self)
101 def advance(self, n):
102 r"""advance(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
103 return _IMP_isd.IMP_ISD_SwigPyIterator_advance(self, n)
106 r"""__eq__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
107 return _IMP_isd.IMP_ISD_SwigPyIterator___eq__(self, x)
110 r"""__ne__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
111 return _IMP_isd.IMP_ISD_SwigPyIterator___ne__(self, x)
113 def __iadd__(self, n):
114 r"""__iadd__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
115 return _IMP_isd.IMP_ISD_SwigPyIterator___iadd__(self, n)
117 def __isub__(self, n):
118 r"""__isub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
119 return _IMP_isd.IMP_ISD_SwigPyIterator___isub__(self, n)
121 def __add__(self, n):
122 r"""__add__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
123 return _IMP_isd.IMP_ISD_SwigPyIterator___add__(self, n)
125 def __sub__(self, *args):
127 __sub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator
128 __sub__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t
130 return _IMP_isd.IMP_ISD_SwigPyIterator___sub__(self, *args)
135 _IMP_isd.IMP_ISD_SwigPyIterator_swigregister(IMP_ISD_SwigPyIterator)
142 IMP_DEBUG = _IMP_isd.IMP_DEBUG
144 IMP_RELEASE = _IMP_isd.IMP_RELEASE
146 IMP_SILENT = _IMP_isd.IMP_SILENT
148 IMP_PROGRESS = _IMP_isd.IMP_PROGRESS
150 IMP_TERSE = _IMP_isd.IMP_TERSE
152 IMP_VERBOSE = _IMP_isd.IMP_VERBOSE
154 IMP_MEMORY = _IMP_isd.IMP_MEMORY
156 IMP_NONE = _IMP_isd.IMP_NONE
158 IMP_USAGE = _IMP_isd.IMP_USAGE
160 IMP_INTERNAL = _IMP_isd.IMP_INTERNAL
162 IMP_KERNEL_HAS_LOG4CXX = _IMP_isd.IMP_KERNEL_HAS_LOG4CXX
164 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_isd.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
166 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_isd.IMP_COMPILER_HAS_DEBUG_VECTOR
168 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_isd.IMP_COMPILER_HAS_RANDOM_SHUFFLE
170 IMP_COMPILER_HAS_THREE_WAY = _IMP_isd.IMP_COMPILER_HAS_THREE_WAY
172 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_isd.IMP_KERNEL_HAS_BOOST_RANDOM
174 IMP_KERNEL_HAS_NUMPY = _IMP_isd.IMP_KERNEL_HAS_NUMPY
176 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_isd.IMP_KERNEL_HAS_BOOST_SYSTEM
178 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_isd.IMP_KERNEL_HAS_GPERFTOOLS
180 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
182 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
184 IMPKERNEL_SHOW_WARNINGS = _IMP_isd.IMPKERNEL_SHOW_WARNINGS
188 class _DirectorObjects:
189 """@internal Simple class to keep references to director objects
190 to prevent premature deletion."""
193 def register(self, obj):
194 """Take a reference to a director object; will only work for
195 refcounted C++ classes"""
196 if hasattr(obj,
'get_ref_count'):
197 self._objects.append(obj)
199 """Only drop our reference and allow cleanup by Python if no other
200 Python references exist (we hold 3 references: one in self._objects,
201 one in x, and one in the argument list for getrefcount) *and* no
202 other C++ references exist (the Python object always holds one)"""
203 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
204 or x.get_ref_count() > 1]
208 def get_object_count(self):
209 """Get number of director objects (useful for testing only)"""
210 return len(self._objects)
211 _director_objects = _DirectorObjects()
213 class _ostream(object):
214 r"""Proxy of C++ std::ostream class."""
216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
218 def __init__(self, *args, **kwargs):
219 raise AttributeError(
"No constructor defined")
220 __repr__ = _swig_repr
222 def write(self, osa_buf):
223 r"""write(_ostream self, char const * osa_buf)"""
224 return _IMP_isd._ostream_write(self, osa_buf)
227 _IMP_isd._ostream_swigregister(_ostream)
228 IMP_C_OPEN_BINARY = _IMP_isd.IMP_C_OPEN_BINARY
231 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CGAL_HAS_BOOST_FILESYSTEM
233 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
235 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_isd.IMP_CGAL_HAS_BOOST_RANDOM
237 IMP_CGAL_HAS_NUMPY = _IMP_isd.IMP_CGAL_HAS_NUMPY
239 IMPCGAL_SHOW_WARNINGS = _IMP_isd.IMPCGAL_SHOW_WARNINGS
242 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_IMP_CGAL
244 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
248 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_RANDOM
250 IMP_ALGEBRA_HAS_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_CGAL
252 IMP_ALGEBRA_HAS_NUMPY = _IMP_isd.IMP_ALGEBRA_HAS_NUMPY
254 IMP_ALGEBRA_HAS_ANN = _IMP_isd.IMP_ALGEBRA_HAS_ANN
256 IMPALGEBRA_SHOW_WARNINGS = _IMP_isd.IMPALGEBRA_SHOW_WARNINGS
259 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_isd.IMP_DISPLAY_HAS_IMP_CGAL
261 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
265 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_RANDOM
267 IMP_DISPLAY_HAS_CGAL = _IMP_isd.IMP_DISPLAY_HAS_CGAL
269 IMP_DISPLAY_HAS_NUMPY = _IMP_isd.IMP_DISPLAY_HAS_NUMPY
271 IMPDISPLAY_SHOW_WARNINGS = _IMP_isd.IMPDISPLAY_SHOW_WARNINGS
274 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
276 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
278 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_CGAL
284 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_HDF5
286 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_NUMPY
288 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_isd.IMPSCOREFUNCTOR_SHOW_WARNINGS
291 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_isd.IMP_STATISTICS_HAS_IMP_CGAL
293 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
295 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
297 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_RANDOM
299 IMP_STATISTICS_HAS_CGAL = _IMP_isd.IMP_STATISTICS_HAS_CGAL
301 IMP_STATISTICS_HAS_NUMPY = _IMP_isd.IMP_STATISTICS_HAS_NUMPY
303 IMPSTATISTICS_SHOW_WARNINGS = _IMP_isd.IMPSTATISTICS_SHOW_WARNINGS
306 IMP_CORE_HAS_IMP_CGAL = _IMP_isd.IMP_CORE_HAS_IMP_CGAL
308 IMP_CORE_HAS_IMP_KERNEL = _IMP_isd.IMP_CORE_HAS_IMP_KERNEL
310 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CORE_HAS_BOOST_FILESYSTEM
312 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
314 IMP_CORE_HAS_BOOST_RANDOM = _IMP_isd.IMP_CORE_HAS_BOOST_RANDOM
316 IMP_CORE_HAS_CGAL = _IMP_isd.IMP_CORE_HAS_CGAL
318 IMP_CORE_HAS_HDF5 = _IMP_isd.IMP_CORE_HAS_HDF5
320 IMP_CORE_HAS_NUMPY = _IMP_isd.IMP_CORE_HAS_NUMPY
322 IMPCORE_SHOW_WARNINGS = _IMP_isd.IMPCORE_SHOW_WARNINGS
325 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_isd.IMP_CONTAINER_HAS_IMP_ALGEBRA
327 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_isd.IMP_CONTAINER_HAS_IMP_CGAL
329 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_isd.IMP_CONTAINER_HAS_IMP_DISPLAY
331 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_isd.IMP_CONTAINER_HAS_IMP_KERNEL
333 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
335 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
337 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
339 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_RANDOM
341 IMP_CONTAINER_HAS_CGAL = _IMP_isd.IMP_CONTAINER_HAS_CGAL
343 IMP_CONTAINER_HAS_HDF5 = _IMP_isd.IMP_CONTAINER_HAS_HDF5
345 IMP_CONTAINER_HAS_NUMPY = _IMP_isd.IMP_CONTAINER_HAS_NUMPY
347 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_isd.IMP_CONTAINER_HAS_PYTHON_IHM
349 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_isd.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
351 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_isd.IMP_CONTAINER_HAS_ROBIN_MAP
353 IMPCONTAINER_SHOW_WARNINGS = _IMP_isd.IMPCONTAINER_SHOW_WARNINGS
356 IMP_ATOM_HAS_IMP_CGAL = _IMP_isd.IMP_ATOM_HAS_IMP_CGAL
358 IMP_ATOM_HAS_IMP_KERNEL = _IMP_isd.IMP_ATOM_HAS_IMP_KERNEL
360 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
362 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
364 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_isd.IMP_ATOM_HAS_BOOST_RANDOM
366 IMP_ATOM_HAS_BOOST_REGEX = _IMP_isd.IMP_ATOM_HAS_BOOST_REGEX
368 IMP_ATOM_HAS_CGAL = _IMP_isd.IMP_ATOM_HAS_CGAL
370 IMP_ATOM_HAS_HDF5 = _IMP_isd.IMP_ATOM_HAS_HDF5
372 IMP_ATOM_HAS_NUMPY = _IMP_isd.IMP_ATOM_HAS_NUMPY
374 IMP_ATOM_HAS_PYTHON_IHM = _IMP_isd.IMP_ATOM_HAS_PYTHON_IHM
376 IMPATOM_SHOW_WARNINGS = _IMP_isd.IMPATOM_SHOW_WARNINGS
378 IMP_ATOM_TYPE_INDEX = _IMP_isd.IMP_ATOM_TYPE_INDEX
380 IMP_RESIDUE_TYPE_INDEX = _IMP_isd.IMP_RESIDUE_TYPE_INDEX
382 IMP_HIERARCHY_TYPE_INDEX = _IMP_isd.IMP_HIERARCHY_TYPE_INDEX
384 IMP_CHAIN_TYPE_INDEX = _IMP_isd.IMP_CHAIN_TYPE_INDEX
387 IMP_EM_HAS_IMP_CGAL = _IMP_isd.IMP_EM_HAS_IMP_CGAL
389 IMP_EM_HAS_IMP_CONTAINER = _IMP_isd.IMP_EM_HAS_IMP_CONTAINER
391 IMP_EM_HAS_IMP_DISPLAY = _IMP_isd.IMP_EM_HAS_IMP_DISPLAY
393 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_EM_HAS_IMP_SCORE_FUNCTOR
395 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_EM_HAS_BOOST_FILESYSTEM
397 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
399 IMP_EM_HAS_BOOST_RANDOM = _IMP_isd.IMP_EM_HAS_BOOST_RANDOM
401 IMP_EM_HAS_BOOST_REGEX = _IMP_isd.IMP_EM_HAS_BOOST_REGEX
403 IMP_EM_HAS_CGAL = _IMP_isd.IMP_EM_HAS_CGAL
405 IMP_EM_HAS_HDF5 = _IMP_isd.IMP_EM_HAS_HDF5
407 IMP_EM_HAS_NUMPY = _IMP_isd.IMP_EM_HAS_NUMPY
409 IMP_EM_HAS_PYTHON_IHM = _IMP_isd.IMP_EM_HAS_PYTHON_IHM
411 IMPEM_SHOW_WARNINGS = _IMP_isd.IMPEM_SHOW_WARNINGS
414 IMP_SAXS_HAS_IMP_CGAL = _IMP_isd.IMP_SAXS_HAS_IMP_CGAL
416 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_isd.IMP_SAXS_HAS_IMP_CONTAINER
418 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_isd.IMP_SAXS_HAS_IMP_DISPLAY
420 IMP_SAXS_HAS_IMP_KERNEL = _IMP_isd.IMP_SAXS_HAS_IMP_KERNEL
422 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
424 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SAXS_HAS_BOOST_FILESYSTEM
426 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
428 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_isd.IMP_SAXS_HAS_BOOST_RANDOM
430 IMP_SAXS_HAS_BOOST_REGEX = _IMP_isd.IMP_SAXS_HAS_BOOST_REGEX
432 IMP_SAXS_HAS_CGAL = _IMP_isd.IMP_SAXS_HAS_CGAL
434 IMP_SAXS_HAS_HDF5 = _IMP_isd.IMP_SAXS_HAS_HDF5
436 IMP_SAXS_HAS_NUMPY = _IMP_isd.IMP_SAXS_HAS_NUMPY
438 IMP_SAXS_HAS_PYTHON_IHM = _IMP_isd.IMP_SAXS_HAS_PYTHON_IHM
440 IMPSAXS_SHOW_WARNINGS = _IMP_isd.IMPSAXS_SHOW_WARNINGS
443 IMP_ISD_HAS_IMP_CGAL = _IMP_isd.IMP_ISD_HAS_IMP_CGAL
445 IMP_ISD_HAS_IMP_DISPLAY = _IMP_isd.IMP_ISD_HAS_IMP_DISPLAY
447 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
449 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ISD_HAS_BOOST_FILESYSTEM
451 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
453 IMP_ISD_HAS_BOOST_RANDOM = _IMP_isd.IMP_ISD_HAS_BOOST_RANDOM
455 IMP_ISD_HAS_BOOST_REGEX = _IMP_isd.IMP_ISD_HAS_BOOST_REGEX
457 IMP_ISD_HAS_CGAL = _IMP_isd.IMP_ISD_HAS_CGAL
459 IMP_ISD_HAS_HDF5 = _IMP_isd.IMP_ISD_HAS_HDF5
461 IMP_ISD_HAS_NUMPY = _IMP_isd.IMP_ISD_HAS_NUMPY
463 IMP_ISD_HAS_PYTHON_IHM = _IMP_isd.IMP_ISD_HAS_PYTHON_IHM
465 IMPISD_SHOW_WARNINGS = _IMP_isd.IMPISD_SHOW_WARNINGS
468 _object_types.append(
"ISDRestraint")
471 def _object_cast_to_ISDRestraint(o):
472 r"""_object_cast_to_ISDRestraint(Object o) -> ISDRestraint"""
473 return _IMP_isd._object_cast_to_ISDRestraint(o)
475 _object_types.append(
"CrossLinkMSRestraint")
478 def _object_cast_to_CrossLinkMSRestraint(o):
479 r"""_object_cast_to_CrossLinkMSRestraint(Object o) -> CrossLinkMSRestraint"""
480 return _IMP_isd._object_cast_to_CrossLinkMSRestraint(o)
482 _object_types.append(
"LogWrapper")
485 def _object_cast_to_LogWrapper(o):
486 r"""_object_cast_to_LogWrapper(Object o) -> LogWrapper"""
487 return _IMP_isd._object_cast_to_LogWrapper(o)
489 _object_types.append(
"UniformPrior")
492 def _object_cast_to_UniformPrior(o):
493 r"""_object_cast_to_UniformPrior(Object o) -> UniformPrior"""
494 return _IMP_isd._object_cast_to_UniformPrior(o)
496 _object_types.append(
"JeffreysRestraint")
499 def _object_cast_to_JeffreysRestraint(o):
500 r"""_object_cast_to_JeffreysRestraint(Object o) -> JeffreysRestraint"""
501 return _IMP_isd._object_cast_to_JeffreysRestraint(o)
503 _object_types.append(
"NuisanceScoreState")
506 def _object_cast_to_NuisanceScoreState(o):
507 r"""_object_cast_to_NuisanceScoreState(Object o) -> NuisanceScoreState"""
508 return _IMP_isd._object_cast_to_NuisanceScoreState(o)
510 _object_types.append(
"NormalSigmaPCRestraint")
513 def _object_cast_to_NormalSigmaPCRestraint(o):
514 r"""_object_cast_to_NormalSigmaPCRestraint(Object o) -> NormalSigmaPCRestraint"""
515 return _IMP_isd._object_cast_to_NormalSigmaPCRestraint(o)
517 _object_types.append(
"vonMisesKappaJeffreysRestraint")
520 def _object_cast_to_vonMisesKappaJeffreysRestraint(o):
521 r"""_object_cast_to_vonMisesKappaJeffreysRestraint(Object o) -> vonMisesKappaJeffreysRestraint"""
522 return _IMP_isd._object_cast_to_vonMisesKappaJeffreysRestraint(o)
524 _object_types.append(
"vonMisesKappaConjugateRestraint")
527 def _object_cast_to_vonMisesKappaConjugateRestraint(o):
528 r"""_object_cast_to_vonMisesKappaConjugateRestraint(Object o) -> vonMisesKappaConjugateRestraint"""
529 return _IMP_isd._object_cast_to_vonMisesKappaConjugateRestraint(o)
531 _object_types.append(
"Distribution")
534 def _object_cast_to_Distribution(o):
535 r"""_object_cast_to_Distribution(Object o) -> Distribution"""
536 return _IMP_isd._object_cast_to_Distribution(o)
538 _object_types.append(
"OneDimensionalDistribution")
541 def _object_cast_to_OneDimensionalDistribution(o):
542 r"""_object_cast_to_OneDimensionalDistribution(Object o) -> OneDimensionalDistribution"""
543 return _IMP_isd._object_cast_to_OneDimensionalDistribution(o)
545 _object_types.append(
"OneDimensionalSufficientDistribution")
548 def _object_cast_to_OneDimensionalSufficientDistribution(o):
549 r"""_object_cast_to_OneDimensionalSufficientDistribution(Object o) -> OneDimensionalSufficientDistribution"""
550 return _IMP_isd._object_cast_to_OneDimensionalSufficientDistribution(o)
552 _object_types.append(
"FNormal")
555 def _object_cast_to_FNormal(o):
556 r"""_object_cast_to_FNormal(Object o) -> FNormal"""
557 return _IMP_isd._object_cast_to_FNormal(o)
559 _object_types.append(
"FStudentT")
562 def _object_cast_to_FStudentT(o):
563 r"""_object_cast_to_FStudentT(Object o) -> FStudentT"""
564 return _IMP_isd._object_cast_to_FStudentT(o)
566 _object_types.append(
"vonMises")
569 def _object_cast_to_vonMises(o):
570 r"""_object_cast_to_vonMises(Object o) -> vonMises"""
571 return _IMP_isd._object_cast_to_vonMises(o)
573 _object_types.append(
"vonMisesSufficient")
576 def _object_cast_to_vonMisesSufficient(o):
577 r"""_object_cast_to_vonMisesSufficient(Object o) -> vonMisesSufficient"""
578 return _IMP_isd._object_cast_to_vonMisesSufficient(o)
580 _object_types.append(
"PenalizedComplexityPrior")
583 def _object_cast_to_PenalizedComplexityPrior(o):
584 r"""_object_cast_to_PenalizedComplexityPrior(Object o) -> PenalizedComplexityPrior"""
585 return _IMP_isd._object_cast_to_PenalizedComplexityPrior(o)
588 return [Nuisance(x)
for x
in l]
589 _plural_types.append(
"Nuisances")
592 _value_types.append(
"Nuisance")
596 return [Scale(x)
for x
in l]
597 _plural_types.append(
"Scales")
600 _value_types.append(
"Scale")
603 def Switchings(l=[]):
604 return [Switching(x)
for x
in l]
605 _plural_types.append(
"Switchings")
608 _value_types.append(
"Switching")
611 _object_types.append(
"NOERestraint")
614 def _object_cast_to_NOERestraint(o):
615 r"""_object_cast_to_NOERestraint(Object o) -> NOERestraint"""
616 return _IMP_isd._object_cast_to_NOERestraint(o)
619 return [Weight(x)
for x
in l]
620 _plural_types.append(
"Weights")
623 _value_types.append(
"Weight")
626 _object_types.append(
"GaussianRestraint")
629 def _object_cast_to_GaussianRestraint(o):
630 r"""_object_cast_to_GaussianRestraint(Object o) -> GaussianRestraint"""
631 return _IMP_isd._object_cast_to_GaussianRestraint(o)
633 _object_types.append(
"StudentTRestraint")
636 def _object_cast_to_StudentTRestraint(o):
637 r"""_object_cast_to_StudentTRestraint(Object o) -> StudentTRestraint"""
638 return _IMP_isd._object_cast_to_StudentTRestraint(o)
640 _object_types.append(
"LognormalRestraint")
643 def _object_cast_to_LognormalRestraint(o):
644 r"""_object_cast_to_LognormalRestraint(Object o) -> LognormalRestraint"""
645 return _IMP_isd._object_cast_to_LognormalRestraint(o)
647 _object_types.append(
"LognormalAmbiguousRestraint")
650 def _object_cast_to_LognormalAmbiguousRestraint(o):
651 r"""_object_cast_to_LognormalAmbiguousRestraint(Object o) -> LognormalAmbiguousRestraint"""
652 return _IMP_isd._object_cast_to_LognormalAmbiguousRestraint(o)
654 _object_types.append(
"AmbiguousNOERestraint")
657 def _object_cast_to_AmbiguousNOERestraint(o):
658 r"""_object_cast_to_AmbiguousNOERestraint(Object o) -> AmbiguousNOERestraint"""
659 return _IMP_isd._object_cast_to_AmbiguousNOERestraint(o)
661 _object_types.append(
"MarginalNOERestraint")
664 def _object_cast_to_MarginalNOERestraint(o):
665 r"""_object_cast_to_MarginalNOERestraint(Object o) -> MarginalNOERestraint"""
666 return _IMP_isd._object_cast_to_MarginalNOERestraint(o)
668 _object_types.append(
"MarginalHBondRestraint")
671 def _object_cast_to_MarginalHBondRestraint(o):
672 r"""_object_cast_to_MarginalHBondRestraint(Object o) -> MarginalHBondRestraint"""
673 return _IMP_isd._object_cast_to_MarginalHBondRestraint(o)
675 _object_types.append(
"TALOSRestraint")
678 def _object_cast_to_TALOSRestraint(o):
679 r"""_object_cast_to_TALOSRestraint(Object o) -> TALOSRestraint"""
680 return _IMP_isd._object_cast_to_TALOSRestraint(o)
682 _object_types.append(
"RepulsiveDistancePairScore")
685 def _object_cast_to_RepulsiveDistancePairScore(o):
686 r"""_object_cast_to_RepulsiveDistancePairScore(Object o) -> RepulsiveDistancePairScore"""
687 return _IMP_isd._object_cast_to_RepulsiveDistancePairScore(o)
689 _object_types.append(
"AmbiguousRestraint")
692 def _object_cast_to_AmbiguousRestraint(o):
693 r"""_object_cast_to_AmbiguousRestraint(Object o) -> AmbiguousRestraint"""
694 return _IMP_isd._object_cast_to_AmbiguousRestraint(o)
696 _object_types.append(
"UnivariateFunction")
699 def _object_cast_to_UnivariateFunction(o):
700 r"""_object_cast_to_UnivariateFunction(Object o) -> UnivariateFunction"""
701 return _IMP_isd._object_cast_to_UnivariateFunction(o)
703 _object_types.append(
"Linear1DFunction")
706 def _object_cast_to_Linear1DFunction(o):
707 r"""_object_cast_to_Linear1DFunction(Object o) -> Linear1DFunction"""
708 return _IMP_isd._object_cast_to_Linear1DFunction(o)
710 _object_types.append(
"GeneralizedGuinierPorodFunction")
713 def _object_cast_to_GeneralizedGuinierPorodFunction(o):
714 r"""_object_cast_to_GeneralizedGuinierPorodFunction(Object o) -> GeneralizedGuinierPorodFunction"""
715 return _IMP_isd._object_cast_to_GeneralizedGuinierPorodFunction(o)
717 _object_types.append(
"BivariateFunction")
720 def _object_cast_to_BivariateFunction(o):
721 r"""_object_cast_to_BivariateFunction(Object o) -> BivariateFunction"""
722 return _IMP_isd._object_cast_to_BivariateFunction(o)
724 _object_types.append(
"Covariance1DFunction")
727 def _object_cast_to_Covariance1DFunction(o):
728 r"""_object_cast_to_Covariance1DFunction(Object o) -> Covariance1DFunction"""
729 return _IMP_isd._object_cast_to_Covariance1DFunction(o)
731 _object_types.append(
"GaussianProcessInterpolation")
734 def _object_cast_to_GaussianProcessInterpolation(o):
735 r"""_object_cast_to_GaussianProcessInterpolation(Object o) -> GaussianProcessInterpolation"""
736 return _IMP_isd._object_cast_to_GaussianProcessInterpolation(o)
738 _object_types.append(
"GaussianProcessInterpolationRestraint")
741 def _object_cast_to_GaussianProcessInterpolationRestraint(o):
742 r"""_object_cast_to_GaussianProcessInterpolationRestraint(Object o) -> GaussianProcessInterpolationRestraint"""
743 return _IMP_isd._object_cast_to_GaussianProcessInterpolationRestraint(o)
745 _object_types.append(
"MolecularDynamics")
748 _object_types.append(
"MolecularDynamicsMover")
751 def _object_cast_to_MolecularDynamicsMover(o):
752 r"""_object_cast_to_MolecularDynamicsMover(Object o) -> MolecularDynamicsMover"""
753 return _IMP_isd._object_cast_to_MolecularDynamicsMover(o)
755 _object_types.append(
"HybridMonteCarlo")
758 def _object_cast_to_HybridMonteCarlo(o):
759 r"""_object_cast_to_HybridMonteCarlo(Object o) -> HybridMonteCarlo"""
760 return _IMP_isd._object_cast_to_HybridMonteCarlo(o)
762 _object_types.append(
"FretData")
765 def _object_cast_to_FretData(o):
766 r"""_object_cast_to_FretData(Object o) -> FretData"""
767 return _IMP_isd._object_cast_to_FretData(o)
769 _object_types.append(
"FretRestraint")
772 def _object_cast_to_FretRestraint(o):
773 r"""_object_cast_to_FretRestraint(Object o) -> FretRestraint"""
774 return _IMP_isd._object_cast_to_FretRestraint(o)
776 _object_types.append(
"CrossLinkData")
779 def _object_cast_to_CrossLinkData(o):
780 r"""_object_cast_to_CrossLinkData(Object o) -> CrossLinkData"""
781 return _IMP_isd._object_cast_to_CrossLinkData(o)
783 _object_types.append(
"CysteineCrossLinkData")
786 def _object_cast_to_CysteineCrossLinkData(o):
787 r"""_object_cast_to_CysteineCrossLinkData(Object o) -> CysteineCrossLinkData"""
788 return _IMP_isd._object_cast_to_CysteineCrossLinkData(o)
790 _object_types.append(
"CysteineCrossLinkRestraint")
793 def _object_cast_to_CysteineCrossLinkRestraint(o):
794 r"""_object_cast_to_CysteineCrossLinkRestraint(Object o) -> CysteineCrossLinkRestraint"""
795 return _IMP_isd._object_cast_to_CysteineCrossLinkRestraint(o)
797 _object_types.append(
"WeightMover")
800 def _object_cast_to_WeightMover(o):
801 r"""_object_cast_to_WeightMover(Object o) -> WeightMover"""
802 return _IMP_isd._object_cast_to_WeightMover(o)
804 _object_types.append(
"WeightRestraint")
807 def _object_cast_to_WeightRestraint(o):
808 r"""_object_cast_to_WeightRestraint(Object o) -> WeightRestraint"""
809 return _IMP_isd._object_cast_to_WeightRestraint(o)
811 _object_types.append(
"AtomicCrossLinkMSRestraint")
814 def _object_cast_to_AtomicCrossLinkMSRestraint(o):
815 r"""_object_cast_to_AtomicCrossLinkMSRestraint(Object o) -> AtomicCrossLinkMSRestraint"""
816 return _IMP_isd._object_cast_to_AtomicCrossLinkMSRestraint(o)
818 _object_types.append(
"GaussianEMRestraint")
821 def _object_cast_to_GaussianEMRestraint(o):
822 r"""_object_cast_to_GaussianEMRestraint(Object o) -> GaussianEMRestraint"""
823 return _IMP_isd._object_cast_to_GaussianEMRestraint(o)
825 _object_types.append(
"GaussianAnchorEMRestraint")
828 def _object_cast_to_GaussianAnchorEMRestraint(o):
829 r"""_object_cast_to_GaussianAnchorEMRestraint(Object o) -> GaussianAnchorEMRestraint"""
830 return _IMP_isd._object_cast_to_GaussianAnchorEMRestraint(o)
832 _object_types.append(
"GammaPrior")
835 def _object_cast_to_GammaPrior(o):
836 r"""_object_cast_to_GammaPrior(Object o) -> GammaPrior"""
837 return _IMP_isd._object_cast_to_GammaPrior(o)
839 _object_types.append(
"ResidueProteinProximityRestraint")
842 def _object_cast_to_ResidueProteinProximityRestraint(o):
843 r"""_object_cast_to_ResidueProteinProximityRestraint(Object o) -> ResidueProteinProximityRestraint"""
844 return _IMP_isd._object_cast_to_ResidueProteinProximityRestraint(o)
846 def create_model_and_particles():
850 IMP.algebra.Vector3D(10,10,10))
851 for i
in range(0,100):
855 d.set_coordinates_are_optimized(
True)
859 r"""Proxy of C++ IMP::isd::ISDRestraint class."""
861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
863 def __init__(self, m, name):
864 r"""__init__(ISDRestraint self, Model m, std::string name) -> ISDRestraint"""
865 if self.__class__ == ISDRestraint:
869 _IMP_isd.ISDRestraint_swiginit(self, _IMP_isd.new_ISDRestraint(_self, m, name))
871 if self.__class__ != ISDRestraint:
872 _director_objects.register(self)
877 def get_probability(self):
878 r"""get_probability(ISDRestraint self) -> double"""
879 return _IMP_isd.ISDRestraint_get_probability(self)
881 def unprotected_evaluate(self, accum):
882 r"""unprotected_evaluate(ISDRestraint self, DerivativeAccumulator accum) -> double"""
883 return _IMP_isd.ISDRestraint_unprotected_evaluate(self, accum)
886 r"""do_get_inputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
887 return _IMP_isd.ISDRestraint_do_get_inputs(self)
889 def get_type_name(self):
890 r"""get_type_name(ISDRestraint self) -> std::string"""
891 return _IMP_isd.ISDRestraint_get_type_name(self)
894 r"""get_version_info(ISDRestraint self) -> VersionInfo"""
895 return _IMP_isd.ISDRestraint_get_version_info(self)
896 __swig_destroy__ = _IMP_isd.delete_ISDRestraint
899 r"""__str__(ISDRestraint self) -> std::string"""
900 return _IMP_isd.ISDRestraint___str__(self)
903 r"""__repr__(ISDRestraint self) -> std::string"""
904 return _IMP_isd.ISDRestraint___repr__(self)
908 return _object_cast_to_ISDRestraint(o)
911 def do_show(self, out):
916 return _object_cast_to_ISDRestraint(o)
918 def __disown__(self):
920 _IMP_isd.disown_ISDRestraint(self)
921 return weakref.proxy(self)
924 r"""do_destroy(ISDRestraint self)"""
925 return _IMP_isd.ISDRestraint_do_destroy(self)
927 def handle_set_has_required_score_states(self, arg0):
928 r"""handle_set_has_required_score_states(ISDRestraint self, bool arg0)"""
929 return _IMP_isd.ISDRestraint_handle_set_has_required_score_states(self, arg0)
932 r"""do_get_outputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
933 return _IMP_isd.ISDRestraint_do_get_outputs(self)
935 def do_get_interactions(self):
936 r"""do_get_interactions(ISDRestraint self) -> IMP::ModelObjectsTemps"""
937 return _IMP_isd.ISDRestraint_do_get_interactions(self)
939 def do_create_decomposition(self):
940 r"""do_create_decomposition(ISDRestraint self) -> IMP::Restraints"""
941 return _IMP_isd.ISDRestraint_do_create_decomposition(self)
943 def do_create_current_decomposition(self):
944 r"""do_create_current_decomposition(ISDRestraint self) -> IMP::Restraints"""
945 return _IMP_isd.ISDRestraint_do_create_current_decomposition(self)
947 def do_add_score_and_derivatives(self, sa):
948 r"""do_add_score_and_derivatives(ISDRestraint self, ScoreAccumulator sa)"""
949 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives(self, sa)
951 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
952 r"""do_add_score_and_derivatives_moved(ISDRestraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
953 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
956 _IMP_isd.ISDRestraint_swigregister(ISDRestraint)
958 r"""Proxy of C++ IMP::isd::CrossLinkMSRestraint class."""
960 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
962 def __init__(self, *args):
964 __init__(CrossLinkMSRestraint self, Model m, double length, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
965 __init__(CrossLinkMSRestraint self, Model m, _ParticleIndexAdaptor lengthi, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
966 __init__(CrossLinkMSRestraint self, Model m, double length, double slope, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
967 __init__(CrossLinkMSRestraint self) -> CrossLinkMSRestraint
969 _IMP_isd.CrossLinkMSRestraint_swiginit(self, _IMP_isd.new_CrossLinkMSRestraint(*args))
971 def set_source_protein1(self, protein1):
972 r"""set_source_protein1(CrossLinkMSRestraint self, std::string protein1)"""
973 return _IMP_isd.CrossLinkMSRestraint_set_source_protein1(self, protein1)
975 def get_source_protein1(self):
976 r"""get_source_protein1(CrossLinkMSRestraint self) -> std::string"""
977 return _IMP_isd.CrossLinkMSRestraint_get_source_protein1(self)
979 def set_source_protein2(self, protein2):
980 r"""set_source_protein2(CrossLinkMSRestraint self, std::string protein2)"""
981 return _IMP_isd.CrossLinkMSRestraint_set_source_protein2(self, protein2)
983 def get_source_protein2(self):
984 r"""get_source_protein2(CrossLinkMSRestraint self) -> std::string"""
985 return _IMP_isd.CrossLinkMSRestraint_get_source_protein2(self)
987 def set_source_residue1(self, residue1):
988 r"""set_source_residue1(CrossLinkMSRestraint self, int residue1)"""
989 return _IMP_isd.CrossLinkMSRestraint_set_source_residue1(self, residue1)
991 def get_source_residue1(self):
992 r"""get_source_residue1(CrossLinkMSRestraint self) -> int"""
993 return _IMP_isd.CrossLinkMSRestraint_get_source_residue1(self)
995 def set_source_residue2(self, residue2):
996 r"""set_source_residue2(CrossLinkMSRestraint self, int residue2)"""
997 return _IMP_isd.CrossLinkMSRestraint_set_source_residue2(self, residue2)
999 def get_source_residue2(self):
1000 r"""get_source_residue2(CrossLinkMSRestraint self) -> int"""
1001 return _IMP_isd.CrossLinkMSRestraint_get_source_residue2(self)
1003 def add_contribution(self, pps, sigmas, psi):
1004 r"""add_contribution(CrossLinkMSRestraint self, IMP::ParticleIndexPair const & pps, IMP::ParticleIndexPair const & sigmas, ParticleIndex psi)"""
1005 return _IMP_isd.CrossLinkMSRestraint_add_contribution(self, pps, sigmas, psi)
1007 def get_probability(self):
1008 r"""get_probability(CrossLinkMSRestraint self) -> double"""
1009 return _IMP_isd.CrossLinkMSRestraint_get_probability(self)
1011 def get_length(self):
1012 r"""get_length(CrossLinkMSRestraint self) -> double"""
1013 return _IMP_isd.CrossLinkMSRestraint_get_length(self)
1015 def get_is_length_variable(self):
1016 r"""get_is_length_variable(CrossLinkMSRestraint self) -> bool"""
1017 return _IMP_isd.CrossLinkMSRestraint_get_is_length_variable(self)
1019 def get_has_slope(self):
1020 r"""get_has_slope(CrossLinkMSRestraint self) -> bool"""
1021 return _IMP_isd.CrossLinkMSRestraint_get_has_slope(self)
1023 def get_slope(self):
1024 r"""get_slope(CrossLinkMSRestraint self) -> double"""
1025 return _IMP_isd.CrossLinkMSRestraint_get_slope(self)
1027 def get_log_prob(self):
1028 r"""get_log_prob(CrossLinkMSRestraint self) -> bool"""
1029 return _IMP_isd.CrossLinkMSRestraint_get_log_prob(self)
1031 def get_contribution_sigma_indexes(self, i):
1032 r"""get_contribution_sigma_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1033 return _IMP_isd.CrossLinkMSRestraint_get_contribution_sigma_indexes(self, i)
1035 def get_contribution_psi_index(self, i):
1036 r"""get_contribution_psi_index(CrossLinkMSRestraint self, int i) -> ParticleIndex"""
1037 return _IMP_isd.CrossLinkMSRestraint_get_contribution_psi_index(self, i)
1039 def get_contribution_particle_indexes(self, i):
1040 r"""get_contribution_particle_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1041 return _IMP_isd.CrossLinkMSRestraint_get_contribution_particle_indexes(self, i)
1043 def get_number_of_contributions(self):
1044 r"""get_number_of_contributions(CrossLinkMSRestraint self) -> unsigned int"""
1045 return _IMP_isd.CrossLinkMSRestraint_get_number_of_contributions(self)
1048 r"""do_get_inputs(CrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
1049 return _IMP_isd.CrossLinkMSRestraint_do_get_inputs(self)
1052 r"""get_version_info(CrossLinkMSRestraint self) -> VersionInfo"""
1053 return _IMP_isd.CrossLinkMSRestraint_get_version_info(self)
1054 __swig_destroy__ = _IMP_isd.delete_CrossLinkMSRestraint
1057 r"""__str__(CrossLinkMSRestraint self) -> std::string"""
1058 return _IMP_isd.CrossLinkMSRestraint___str__(self)
1061 r"""__repr__(CrossLinkMSRestraint self) -> std::string"""
1062 return _IMP_isd.CrossLinkMSRestraint___repr__(self)
1066 return _object_cast_to_CrossLinkMSRestraint(o)
1069 def _get_as_binary(self):
1070 r"""_get_as_binary(CrossLinkMSRestraint self) -> PyObject *"""
1071 return _IMP_isd.CrossLinkMSRestraint__get_as_binary(self)
1073 def _set_from_binary(self, p):
1074 r"""_set_from_binary(CrossLinkMSRestraint self, PyObject * p)"""
1075 return _IMP_isd.CrossLinkMSRestraint__set_from_binary(self, p)
1077 def __getstate__(self):
1078 p = self._get_as_binary()
1079 if len(self.__dict__) > 1:
1080 d = self.__dict__.copy()
1085 def __setstate__(self, p):
1086 if not hasattr(self,
'this'):
1088 if isinstance(p, tuple):
1090 self.__dict__.update(d)
1091 return self._set_from_binary(p)
1094 def _get_contributions_sigma_numpy(self):
1096 n = self.get_number_of_contributions()
1097 ret = numpy.empty((n, 2), int)
1099 ret[i] = self.get_contribution_sigma_indexes(i)
1102 def _get_contributions_psi_numpy(self):
1104 n = self.get_number_of_contributions()
1105 ret = numpy.empty(n, int)
1107 ret[i] = self.get_contribution_psi_index(i)
1110 def _get_contributions_particles_numpy(self):
1112 n = self.get_number_of_contributions()
1113 ret = numpy.empty((n, 2), int)
1115 ret[i] = self.get_contribution_particle_indexes(i)
1120 import jax.numpy
as jnp
1123 def sphere_cap(r1, r2, d):
1124 def short_range(r1, r2, d):
1125 return jax.lax.min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1126 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1127 def mid_range(r1, r2, d):
1128 return ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1129 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1130 + 6 * r1 * r2 - 3 * r2 * r2))
1131 def long_range(r1, r2, d):
1132 return jax.lax.cond(d >= r1 + r2,
lambda a,b,c: 0.,
1133 mid_range, r1, r2, d)
1134 return jax.lax.cond(
1135 d <= jnp.absolute(r1 - r2), short_range,
1136 long_range, r1, r2, d)
1138 def get_probability(xyz, r, scale, ps, ncontrib, sigma, psi, length,
1140 def short_range(length, dist, sigmai, sigmaj, voli, volj):
1141 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1142 * (length / 2.) * (length / 2.))
1143 return jax.lax.min(voli, xlvol), jax.lax.min(volj, xlvol)
1145 def long_range(length, dist, sigmai, sigmaj, voli, volj):
1146 di = dist - sigmaj - length / 2.
1147 dj = dist - sigmai - length / 2.
1148 return (sphere_cap(sigmai, length / 2., abs(di)),
1149 sphere_cap(sigmaj, length / 2., abs(dj)))
1151 def dist_diff(xyz, r, ps, k):
1152 return jnp.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1154 def dist_same(xyz, r, ps, k):
1159 return 36.0 / 35.0 * r[ps[k, 0]];
1162 for k
in range(ncontrib):
1163 dist = jax.lax.cond(ps[k, 0] == ps[k, 1], dist_same,
1164 dist_diff, xyz, r, ps, k)
1165 dist = jax.lax.max(dist, 0.0001)
1166 psik = scale[psi[k]]
1167 sigmai = scale[sigma[k, 0]]
1168 sigmaj = scale[sigma[k, 1]]
1170 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1171 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1173 fi, fj = jax.lax.cond(dist < sigmai + sigmaj,
1174 short_range, long_range, length,
1175 dist, sigmai, sigmaj, voli, volj)
1177 pofr = fi * fj / voli / volj
1178 if slope
is not None:
1179 prior = jnp.exp(-slope * dist)
1180 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1181 + pofr * (1 - psik)) * prior)
1183 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1184 + pofr * (1 - psik)))
1185 return 1.0 - onemprob
1187 if self.get_is_length_variable():
1188 raise NotImplementedError(
"Only implemented for fixed-length")
1189 sigma = self._get_contributions_sigma_numpy()
1190 psi = self._get_contributions_psi_numpy()
1191 pis = self._get_contributions_particles_numpy()
1192 get_log_prob = self.get_log_prob()
1193 length = self.get_length()
1194 ncontrib = len(sigma)
1195 slope = self.get_slope()
if self.get_has_slope()
else None
1197 def jax_restraint(X):
1198 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1199 ncontrib, sigma, psi, length, slope)
1201 return -jnp.log(prob)
1205 return self._wrap_jax(jax_restraint,
1208 def _get_python_evaluate(self):
1209 from numba
import njit
1214 def sphere_cap(r1, r2, d):
1216 if d <= max(r1, r2) - min(r1, r2):
1217 sc = min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1218 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1222 sc = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1223 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1224 + 6 * r1 * r2 - 3 * r2 * r2))
1228 def get_probability(xyz, scale, ps, ncontrib, sigma, psi, length,
1231 for k
in range(ncontrib):
1232 dist = numpy.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1235 psik = scale[psi[k]]
1236 sigmai = scale[sigma[k, 0]]
1237 sigmaj = scale[sigma[k, 1]]
1239 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1240 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1242 if dist < sigmai + sigmaj:
1243 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1244 * (length / 2.) * (length / 2))
1245 fi = min(voli, xlvol)
1246 fj = min(volj, xlvol)
1248 di = dist - sigmaj - length / 2.
1249 dj = dist - sigmai - length / 2.
1250 fi = sphere_cap(sigmai, length / 2., abs(di))
1251 fj = sphere_cap(sigmaj, length / 2., abs(dj))
1253 pofr = fi * fj / voli / volj
1254 if slope
is not None:
1255 prior = math.exp(slope * dist)
1256 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1257 + pofr * (1 - psik)) * prior)
1259 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1260 + pofr * (1 - psik)))
1261 return 1.0 - onemprob
1263 if self.get_is_length_variable():
1264 raise NotImplementedError(
"Only implemented for fixed-length")
1265 m = self.get_model()
1266 xyz, radius = m.get_spheres_numpy()
1268 sigma = self._get_contributions_sigma_numpy()
1269 psi = self._get_contributions_psi_numpy()
1270 pis = self._get_contributions_particles_numpy()
1271 get_log_prob = self.get_log_prob()
1272 length = self.get_length()
1273 ncontrib = len(sigma)
1274 slope = self.get_slope()
if self.get_has_slope()
else None
1278 prob = get_probability(xyz, scale, pis, ncontrib, sigma, psi,
1281 return -math.log(prob)
1289 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1291 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1295 def __init__(self, *args):
1297 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1298 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1299 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1300 __init__(LogWrapper self) -> LogWrapper
1302 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1304 def do_add_score_and_derivatives(self, sa):
1305 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1306 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1308 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1309 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1310 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1311 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1314 r"""__str__(LogWrapper self) -> std::string"""
1315 return _IMP_isd.LogWrapper___str__(self)
1318 r"""__repr__(LogWrapper self) -> std::string"""
1319 return _IMP_isd.LogWrapper___repr__(self)
1323 return _object_cast_to_LogWrapper(o)
1326 def _get_as_binary(self):
1327 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1328 return _IMP_isd.LogWrapper__get_as_binary(self)
1330 def _set_from_binary(self, p):
1331 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1332 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1334 def __getstate__(self):
1335 p = self._get_as_binary()
1336 if len(self.__dict__) > 1:
1337 d = self.__dict__.copy()
1342 def __setstate__(self, p):
1343 if not hasattr(self,
'this'):
1345 if isinstance(p, tuple):
1347 self.__dict__.update(d)
1348 return self._set_from_binary(p)
1352 import jax.numpy
as jnp
1353 funcs, keys = self._get_restraint_jax_funcs_keys()
1355 scores = jnp.asarray([f(jm)
for f
in funcs])
1356 return -jnp.log(jnp.prod(scores))
1357 return self._wrap_jax(jax_sf, keys=keys)
1361 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1363 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1365 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1367 def __init__(self, *args):
1369 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1370 __init__(UniformPrior self) -> UniformPrior
1372 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1375 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1376 return _IMP_isd.UniformPrior_do_get_inputs(self)
1379 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1380 return _IMP_isd.UniformPrior_get_version_info(self)
1381 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1383 def get_probability(self):
1384 r"""get_probability(UniformPrior self) -> double"""
1385 return _IMP_isd.UniformPrior_get_probability(self)
1387 def get_range(self):
1388 r"""get_range(UniformPrior self) -> IMP::FloatRange"""
1389 return _IMP_isd.UniformPrior_get_range(self)
1392 r"""get_k(UniformPrior self) -> double"""
1393 return _IMP_isd.UniformPrior_get_k(self)
1396 r"""get_index(UniformPrior self) -> ParticleIndex"""
1397 return _IMP_isd.UniformPrior_get_index(self)
1400 r"""__str__(UniformPrior self) -> std::string"""
1401 return _IMP_isd.UniformPrior___str__(self)
1404 r"""__repr__(UniformPrior self) -> std::string"""
1405 return _IMP_isd.UniformPrior___repr__(self)
1409 return _object_cast_to_UniformPrior(o)
1412 def _get_as_binary(self):
1413 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1414 return _IMP_isd.UniformPrior__get_as_binary(self)
1416 def _set_from_binary(self, p):
1417 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1418 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1420 def __getstate__(self):
1421 p = self._get_as_binary()
1422 if len(self.__dict__) > 1:
1423 d = self.__dict__.copy()
1428 def __setstate__(self, p):
1429 if not hasattr(self,
'this'):
1431 if isinstance(p, tuple):
1433 self.__dict__.update(d)
1434 return self._set_from_binary(p)
1438 import jax.numpy
as jnp
1439 indexes = jnp.array([self.get_index()])
1440 def score(jm, lb, ub, k):
1441 nuisance = jm[
'nuisance'][indexes]
1442 return 0.5 * k * (nuisance - jnp.clip(nuisance, lb, ub)) ** 2
1443 rng = self.get_range()
1444 f = functools.partial(score, lb=rng[0], ub=rng[1], k=self.get_k())
1445 return self._wrap_jax(f, keys=[Scale.get_scale_key()])
1449 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1451 r"""Proxy of C++ IMP::isd::Nuisance class."""
1453 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1455 def __init__(self, *args):
1457 __init__(Nuisance self) -> Nuisance
1458 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1459 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1461 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1463 def show(self, *args):
1464 r"""show(Nuisance self, _ostream out=std::cout)"""
1465 return _IMP_isd.Nuisance_show(self, *args)
1468 def setup_particle(*args):
1470 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1471 setup_particle(_ParticleAdaptor pa) -> Nuisance
1472 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1473 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1475 return _IMP_isd.Nuisance_setup_particle(*args)
1478 def get_is_setup(*args):
1480 get_is_setup(_ParticleAdaptor p) -> bool
1481 get_is_setup(Model m, ParticleIndex pi) -> bool
1483 return _IMP_isd.Nuisance_get_is_setup(*args)
1486 def get_nuisance_key():
1487 r"""get_nuisance_key() -> FloatKey"""
1488 return _IMP_isd.Nuisance_get_nuisance_key()
1490 def get_nuisance(self):
1491 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1492 return _IMP_isd.Nuisance_get_nuisance(self)
1494 def set_nuisance(self, d):
1495 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1496 return _IMP_isd.Nuisance_set_nuisance(self, d)
1498 def get_has_lower(self):
1499 r"""get_has_lower(Nuisance self) -> bool"""
1500 return _IMP_isd.Nuisance_get_has_lower(self)
1502 def get_has_lower_float(self):
1503 r"""get_has_lower_float(Nuisance self) -> bool"""
1504 return _IMP_isd.Nuisance_get_has_lower_float(self)
1506 def get_has_lower_particle(self):
1507 r"""get_has_lower_particle(Nuisance self) -> bool"""
1508 return _IMP_isd.Nuisance_get_has_lower_particle(self)
1510 def get_lower(self):
1511 r"""get_lower(Nuisance self) -> IMP::Float"""
1512 return _IMP_isd.Nuisance_get_lower(self)
1515 def get_lower_key():
1516 r"""get_lower_key() -> FloatKey"""
1517 return _IMP_isd.Nuisance_get_lower_key()
1520 def get_lower_particle_key():
1521 r"""get_lower_particle_key() -> ParticleIndexKey"""
1522 return _IMP_isd.Nuisance_get_lower_particle_key()
1524 def set_lower(self, *args):
1526 set_lower(Nuisance self, IMP::Float d)
1527 set_lower(Nuisance self, Particle d)
1529 return _IMP_isd.Nuisance_set_lower(self, *args)
1531 def remove_lower(self):
1532 r"""remove_lower(Nuisance self)"""
1533 return _IMP_isd.Nuisance_remove_lower(self)
1535 def get_has_upper(self):
1536 r"""get_has_upper(Nuisance self) -> bool"""
1537 return _IMP_isd.Nuisance_get_has_upper(self)
1539 def get_has_upper_float(self):
1540 r"""get_has_upper_float(Nuisance self) -> bool"""
1541 return _IMP_isd.Nuisance_get_has_upper_float(self)
1543 def get_has_upper_particle(self):
1544 r"""get_has_upper_particle(Nuisance self) -> bool"""
1545 return _IMP_isd.Nuisance_get_has_upper_particle(self)
1547 def get_upper(self):
1548 r"""get_upper(Nuisance self) -> IMP::Float"""
1549 return _IMP_isd.Nuisance_get_upper(self)
1552 def get_upper_key():
1553 r"""get_upper_key() -> FloatKey"""
1554 return _IMP_isd.Nuisance_get_upper_key()
1557 def get_upper_particle_key():
1558 r"""get_upper_particle_key() -> ParticleIndexKey"""
1559 return _IMP_isd.Nuisance_get_upper_particle_key()
1561 def set_upper(self, *args):
1563 set_upper(Nuisance self, IMP::Float d)
1564 set_upper(Nuisance self, Particle d)
1566 return _IMP_isd.Nuisance_set_upper(self, *args)
1568 def remove_upper(self):
1569 r"""remove_upper(Nuisance self)"""
1570 return _IMP_isd.Nuisance_remove_upper(self)
1572 def get_nuisance_derivative(self):
1573 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1574 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1576 def add_to_nuisance_derivative(self, d, accum):
1577 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1578 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1580 def get_nuisance_is_optimized(self):
1581 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1582 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1584 def set_nuisance_is_optimized(self, val):
1585 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1586 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1588 def add_attribute(self, *args):
1590 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1591 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1592 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1593 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1594 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1595 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1596 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1597 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1598 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1599 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1600 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1601 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1603 return _IMP_isd.Nuisance_add_attribute(self, *args)
1605 def get_value(self, *args):
1607 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1608 get_value(Nuisance self, IntKey a0) -> IMP::Int
1609 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1610 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1611 get_value(Nuisance self, StringKey a0) -> IMP::String
1612 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1613 get_value(Nuisance self, ObjectKey a0) -> Object
1614 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1615 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1616 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1617 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1619 return _IMP_isd.Nuisance_get_value(self, *args)
1621 def set_value(self, *args):
1623 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1624 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1625 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1626 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1627 set_value(Nuisance self, StringKey a0, IMP::String a1)
1628 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1629 set_value(Nuisance self, ObjectKey a0, Object a1)
1630 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1631 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1632 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1633 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1635 return _IMP_isd.Nuisance_set_value(self, *args)
1637 def remove_attribute(self, *args):
1639 remove_attribute(Nuisance self, FloatKey a0)
1640 remove_attribute(Nuisance self, IntKey a0)
1641 remove_attribute(Nuisance self, FloatsKey a0)
1642 remove_attribute(Nuisance self, IntsKey a0)
1643 remove_attribute(Nuisance self, StringKey a0)
1644 remove_attribute(Nuisance self, ParticleIndexKey a0)
1645 remove_attribute(Nuisance self, ObjectKey a0)
1646 remove_attribute(Nuisance self, SparseFloatKey a0)
1647 remove_attribute(Nuisance self, SparseIntKey a0)
1648 remove_attribute(Nuisance self, SparseStringKey a0)
1649 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1651 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1653 def has_attribute(self, *args):
1655 has_attribute(Nuisance self, FloatKey a0) -> bool
1656 has_attribute(Nuisance self, IntKey a0) -> bool
1657 has_attribute(Nuisance self, FloatsKey a0) -> bool
1658 has_attribute(Nuisance self, IntsKey a0) -> bool
1659 has_attribute(Nuisance self, StringKey a0) -> bool
1660 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1661 has_attribute(Nuisance self, ObjectKey a0) -> bool
1662 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1663 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1664 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1665 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1667 return _IMP_isd.Nuisance_has_attribute(self, *args)
1669 def get_derivative(self, a0):
1670 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1671 return _IMP_isd.Nuisance_get_derivative(self, a0)
1674 r"""get_name(Nuisance self) -> std::string"""
1675 return _IMP_isd.Nuisance_get_name(self)
1678 r"""clear_caches(Nuisance self)"""
1679 return _IMP_isd.Nuisance_clear_caches(self)
1681 def set_name(self, a0):
1682 r"""set_name(Nuisance self, std::string a0)"""
1683 return _IMP_isd.Nuisance_set_name(self, a0)
1686 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1687 return _IMP_isd.Nuisance_set_check_level(self, a0)
1689 def add_to_derivative(self, a0, a1, a2):
1690 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1691 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1693 def set_is_optimized(self, a0, a1):
1694 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1695 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1697 def get_is_optimized(self, a0):
1698 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1699 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1701 def get_check_level(self):
1702 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1703 return _IMP_isd.Nuisance_get_check_level(self)
1705 def __eq__(self, *args):
1707 __eq__(Nuisance self, Nuisance o) -> bool
1708 __eq__(Nuisance self, Particle d) -> bool
1710 return _IMP_isd.Nuisance___eq__(self, *args)
1712 def __ne__(self, *args):
1714 __ne__(Nuisance self, Nuisance o) -> bool
1715 __ne__(Nuisance self, Particle d) -> bool
1717 return _IMP_isd.Nuisance___ne__(self, *args)
1719 def __le__(self, *args):
1721 __le__(Nuisance self, Nuisance o) -> bool
1722 __le__(Nuisance self, Particle d) -> bool
1724 return _IMP_isd.Nuisance___le__(self, *args)
1726 def __lt__(self, *args):
1728 __lt__(Nuisance self, Nuisance o) -> bool
1729 __lt__(Nuisance self, Particle d) -> bool
1731 return _IMP_isd.Nuisance___lt__(self, *args)
1733 def __ge__(self, *args):
1735 __ge__(Nuisance self, Nuisance o) -> bool
1736 __ge__(Nuisance self, Particle d) -> bool
1738 return _IMP_isd.Nuisance___ge__(self, *args)
1740 def __gt__(self, *args):
1742 __gt__(Nuisance self, Nuisance o) -> bool
1743 __gt__(Nuisance self, Particle d) -> bool
1745 return _IMP_isd.Nuisance___gt__(self, *args)
1748 r"""__hash__(Nuisance self) -> std::size_t"""
1749 return _IMP_isd.Nuisance___hash__(self)
1752 r"""__str__(Nuisance self) -> std::string"""
1753 return _IMP_isd.Nuisance___str__(self)
1756 r"""__repr__(Nuisance self) -> std::string"""
1757 return _IMP_isd.Nuisance___repr__(self)
1759 def _get_as_binary(self):
1760 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1761 return _IMP_isd.Nuisance__get_as_binary(self)
1763 def _set_from_binary(self, p):
1764 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1765 return _IMP_isd.Nuisance__set_from_binary(self, p)
1767 def __getstate__(self):
1768 p = self._get_as_binary()
1769 if len(self.__dict__) > 1:
1770 d = self.__dict__.copy()
1775 def __setstate__(self, p):
1776 if not hasattr(self,
'this'):
1778 if isinstance(p, tuple):
1780 self.__dict__.update(d)
1781 return self._set_from_binary(p)
1783 __swig_destroy__ = _IMP_isd.delete_Nuisance
1786 _IMP_isd.Nuisance_swigregister(Nuisance)
1788 r"""Proxy of C++ IMP::isd::NuisanceScoreState class."""
1790 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1792 def __init__(self, *args):
1794 __init__(NuisanceScoreState self, Particle p) -> NuisanceScoreState
1795 __init__(NuisanceScoreState self) -> NuisanceScoreState
1797 _IMP_isd.NuisanceScoreState_swiginit(self, _IMP_isd.new_NuisanceScoreState(*args))
1800 r"""get_index(NuisanceScoreState self) -> ParticleIndex"""
1801 return _IMP_isd.NuisanceScoreState_get_index(self)
1803 def do_before_evaluate(self):
1804 r"""do_before_evaluate(NuisanceScoreState self)"""
1805 return _IMP_isd.NuisanceScoreState_do_before_evaluate(self)
1807 def do_after_evaluate(self, da):
1808 r"""do_after_evaluate(NuisanceScoreState self, DerivativeAccumulator da)"""
1809 return _IMP_isd.NuisanceScoreState_do_after_evaluate(self, da)
1812 r"""do_get_inputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1813 return _IMP_isd.NuisanceScoreState_do_get_inputs(self)
1816 r"""do_get_outputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1817 return _IMP_isd.NuisanceScoreState_do_get_outputs(self)
1820 r"""get_version_info(NuisanceScoreState self) -> VersionInfo"""
1821 return _IMP_isd.NuisanceScoreState_get_version_info(self)
1822 __swig_destroy__ = _IMP_isd.delete_NuisanceScoreState
1825 r"""__str__(NuisanceScoreState self) -> std::string"""
1826 return _IMP_isd.NuisanceScoreState___str__(self)
1829 r"""__repr__(NuisanceScoreState self) -> std::string"""
1830 return _IMP_isd.NuisanceScoreState___repr__(self)
1834 return _object_cast_to_NuisanceScoreState(o)
1837 def _get_as_binary(self):
1838 r"""_get_as_binary(NuisanceScoreState self) -> PyObject *"""
1839 return _IMP_isd.NuisanceScoreState__get_as_binary(self)
1841 def _set_from_binary(self, p):
1842 r"""_set_from_binary(NuisanceScoreState self, PyObject * p)"""
1843 return _IMP_isd.NuisanceScoreState__set_from_binary(self, p)
1845 def __getstate__(self):
1846 p = self._get_as_binary()
1847 if len(self.__dict__) > 1:
1848 d = self.__dict__.copy()
1853 def __setstate__(self, p):
1854 if not hasattr(self,
'this'):
1856 if isinstance(p, tuple):
1858 self.__dict__.update(d)
1859 return self._set_from_binary(p)
1865 import jax.numpy
as jnp
1866 def apply_func(jm, index, upper_f, upper_p, lower_f, lower_p):
1867 nuisances = jm[
'nuisance']
1868 up = jm[
'upper'][index]
if upper_f
else math.inf
1870 up = jax.lax.min(up, nuisances[jm[
'p_upper'][index]])
1871 low = jm[
'lower'][index]
if lower_f
else -math.inf
1873 low = jax.lax.max(low, nuisances[jm[
'p_lower'][index]])
1874 jm[
'nuisance'] = jm[
'nuisance'].at[index].set(
1875 jnp.clip(nuisances[index], low, up))
1877 p = self.get_index()
1878 m = self.get_model()
1880 keys = [n.get_nuisance_key()]
1881 upper_f, upper_p = n.get_has_upper_float(), n.get_has_upper_particle()
1882 lower_f, lower_p = n.get_has_lower_float(), n.get_has_lower_particle()
1884 keys.append(n.get_upper_key())
1886 keys.append(n.get_upper_particle_key())
1888 keys.append(n.get_lower_key())
1890 keys.append(n.get_lower_particle_key())
1891 f = functools.partial(apply_func, index=p, upper_f=upper_f,
1892 upper_p=upper_p, lower_f=lower_f,
1894 return self._wrap_jax(f, keys)
1898 _IMP_isd.NuisanceScoreState_swigregister(NuisanceScoreState)
1899 class Scale(Nuisance):
1900 r"""Proxy of C++ IMP::isd::Scale class."""
1902 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1904 def __init__(self, *args):
1906 __init__(Scale self) -> Scale
1907 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1908 __init__(Scale self, _ParticleAdaptor d) -> Scale
1910 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1912 def show(self, *args):
1913 r"""show(Scale self, _ostream out=std::cout)"""
1914 return _IMP_isd.Scale_show(self, *args)
1917 def setup_particle(*args):
1919 setup_particle(Model m, ParticleIndex pi) -> Scale
1920 setup_particle(_ParticleAdaptor pa) -> Scale
1921 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1922 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1924 return _IMP_isd.Scale_setup_particle(*args)
1927 def get_is_setup(*args):
1929 get_is_setup(_ParticleAdaptor p) -> bool
1930 get_is_setup(Model m, ParticleIndex pi) -> bool
1932 return _IMP_isd.Scale_get_is_setup(*args)
1934 def get_scale(self):
1935 r"""get_scale(Scale self) -> IMP::Float"""
1936 return _IMP_isd.Scale_get_scale(self)
1938 def set_scale(self, d):
1939 r"""set_scale(Scale self, IMP::Float d)"""
1940 return _IMP_isd.Scale_set_scale(self, d)
1942 def add_to_scale_derivative(self, d, accum):
1943 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1944 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1946 def get_scale_derivative(self):
1947 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1948 return _IMP_isd.Scale_get_scale_derivative(self)
1951 def get_scale_key():
1952 r"""get_scale_key() -> FloatKey"""
1953 return _IMP_isd.Scale_get_scale_key()
1955 def get_scale_is_optimized(self):
1956 r"""get_scale_is_optimized(Scale self) -> bool"""
1957 return _IMP_isd.Scale_get_scale_is_optimized(self)
1959 def set_scale_is_optimized(self, val):
1960 r"""set_scale_is_optimized(Scale self, bool val)"""
1961 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1963 def add_attribute(self, *args):
1965 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1966 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1967 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1968 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1969 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1970 add_attribute(Scale self, StringKey a0, IMP::String a1)
1971 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1972 add_attribute(Scale self, ObjectKey a0, Object a1)
1973 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1974 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1975 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1976 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1978 return _IMP_isd.Scale_add_attribute(self, *args)
1980 def get_value(self, *args):
1982 get_value(Scale self, FloatKey a0) -> IMP::Float
1983 get_value(Scale self, IntKey a0) -> IMP::Int
1984 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1985 get_value(Scale self, IntsKey a0) -> IMP::Ints
1986 get_value(Scale self, StringKey a0) -> IMP::String
1987 get_value(Scale self, ParticleIndexKey a0) -> Particle
1988 get_value(Scale self, ObjectKey a0) -> Object
1989 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1990 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1991 get_value(Scale self, SparseStringKey a0) -> IMP::String
1992 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1994 return _IMP_isd.Scale_get_value(self, *args)
1996 def set_value(self, *args):
1998 set_value(Scale self, FloatKey a0, IMP::Float a1)
1999 set_value(Scale self, IntKey a0, IMP::Int a1)
2000 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
2001 set_value(Scale self, IntsKey a0, IMP::Ints a1)
2002 set_value(Scale self, StringKey a0, IMP::String a1)
2003 set_value(Scale self, ParticleIndexKey a0, Particle a1)
2004 set_value(Scale self, ObjectKey a0, Object a1)
2005 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
2006 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
2007 set_value(Scale self, SparseStringKey a0, IMP::String a1)
2008 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
2010 return _IMP_isd.Scale_set_value(self, *args)
2012 def remove_attribute(self, *args):
2014 remove_attribute(Scale self, FloatKey a0)
2015 remove_attribute(Scale self, IntKey a0)
2016 remove_attribute(Scale self, FloatsKey a0)
2017 remove_attribute(Scale self, IntsKey a0)
2018 remove_attribute(Scale self, StringKey a0)
2019 remove_attribute(Scale self, ParticleIndexKey a0)
2020 remove_attribute(Scale self, ObjectKey a0)
2021 remove_attribute(Scale self, SparseFloatKey a0)
2022 remove_attribute(Scale self, SparseIntKey a0)
2023 remove_attribute(Scale self, SparseStringKey a0)
2024 remove_attribute(Scale self, SparseParticleIndexKey a0)
2026 return _IMP_isd.Scale_remove_attribute(self, *args)
2028 def has_attribute(self, *args):
2030 has_attribute(Scale self, FloatKey a0) -> bool
2031 has_attribute(Scale self, IntKey a0) -> bool
2032 has_attribute(Scale self, FloatsKey a0) -> bool
2033 has_attribute(Scale self, IntsKey a0) -> bool
2034 has_attribute(Scale self, StringKey a0) -> bool
2035 has_attribute(Scale self, ParticleIndexKey a0) -> bool
2036 has_attribute(Scale self, ObjectKey a0) -> bool
2037 has_attribute(Scale self, SparseFloatKey a0) -> bool
2038 has_attribute(Scale self, SparseIntKey a0) -> bool
2039 has_attribute(Scale self, SparseStringKey a0) -> bool
2040 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
2042 return _IMP_isd.Scale_has_attribute(self, *args)
2044 def get_derivative(self, a0):
2045 r"""get_derivative(Scale self, FloatKey a0) -> double"""
2046 return _IMP_isd.Scale_get_derivative(self, a0)
2049 r"""get_name(Scale self) -> std::string"""
2050 return _IMP_isd.Scale_get_name(self)
2053 r"""clear_caches(Scale self)"""
2054 return _IMP_isd.Scale_clear_caches(self)
2056 def set_name(self, a0):
2057 r"""set_name(Scale self, std::string a0)"""
2058 return _IMP_isd.Scale_set_name(self, a0)
2061 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
2062 return _IMP_isd.Scale_set_check_level(self, a0)
2064 def add_to_derivative(self, a0, a1, a2):
2065 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2066 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
2068 def set_is_optimized(self, a0, a1):
2069 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
2070 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
2072 def get_is_optimized(self, a0):
2073 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
2074 return _IMP_isd.Scale_get_is_optimized(self, a0)
2076 def get_check_level(self):
2077 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
2078 return _IMP_isd.Scale_get_check_level(self)
2080 def __eq__(self, *args):
2082 __eq__(Scale self, Scale o) -> bool
2083 __eq__(Scale self, Particle d) -> bool
2085 return _IMP_isd.Scale___eq__(self, *args)
2087 def __ne__(self, *args):
2089 __ne__(Scale self, Scale o) -> bool
2090 __ne__(Scale self, Particle d) -> bool
2092 return _IMP_isd.Scale___ne__(self, *args)
2094 def __le__(self, *args):
2096 __le__(Scale self, Scale o) -> bool
2097 __le__(Scale self, Particle d) -> bool
2099 return _IMP_isd.Scale___le__(self, *args)
2101 def __lt__(self, *args):
2103 __lt__(Scale self, Scale o) -> bool
2104 __lt__(Scale self, Particle d) -> bool
2106 return _IMP_isd.Scale___lt__(self, *args)
2108 def __ge__(self, *args):
2110 __ge__(Scale self, Scale o) -> bool
2111 __ge__(Scale self, Particle d) -> bool
2113 return _IMP_isd.Scale___ge__(self, *args)
2115 def __gt__(self, *args):
2117 __gt__(Scale self, Scale o) -> bool
2118 __gt__(Scale self, Particle d) -> bool
2120 return _IMP_isd.Scale___gt__(self, *args)
2123 r"""__hash__(Scale self) -> std::size_t"""
2124 return _IMP_isd.Scale___hash__(self)
2127 r"""__str__(Scale self) -> std::string"""
2128 return _IMP_isd.Scale___str__(self)
2131 r"""__repr__(Scale self) -> std::string"""
2132 return _IMP_isd.Scale___repr__(self)
2134 def _get_as_binary(self):
2135 r"""_get_as_binary(Scale self) -> PyObject *"""
2136 return _IMP_isd.Scale__get_as_binary(self)
2138 def _set_from_binary(self, p):
2139 r"""_set_from_binary(Scale self, PyObject * p)"""
2140 return _IMP_isd.Scale__set_from_binary(self, p)
2142 def __getstate__(self):
2143 p = self._get_as_binary()
2144 if len(self.__dict__) > 1:
2145 d = self.__dict__.copy()
2150 def __setstate__(self, p):
2151 if not hasattr(self,
'this'):
2153 if isinstance(p, tuple):
2155 self.__dict__.update(d)
2156 return self._set_from_binary(p)
2158 __swig_destroy__ = _IMP_isd.delete_Scale
2161 _IMP_isd.Scale_swigregister(Scale)
2162 class Switching(Nuisance):
2163 r"""Proxy of C++ IMP::isd::Switching class."""
2165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2167 def __init__(self, *args):
2169 __init__(Switching self) -> Switching
2170 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2171 __init__(Switching self, _ParticleAdaptor d) -> Switching
2173 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2175 def show(self, *args):
2176 r"""show(Switching self, _ostream out=std::cout)"""
2177 return _IMP_isd.Switching_show(self, *args)
2180 def setup_particle(*args):
2182 setup_particle(Model m, ParticleIndex pi) -> Switching
2183 setup_particle(_ParticleAdaptor pa) -> Switching
2184 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2185 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2187 return _IMP_isd.Switching_setup_particle(*args)
2190 def get_is_setup(*args):
2192 get_is_setup(_ParticleAdaptor p) -> bool
2193 get_is_setup(Model m, ParticleIndex pi) -> bool
2195 return _IMP_isd.Switching_get_is_setup(*args)
2197 def get_switching(self):
2198 r"""get_switching(Switching self) -> IMP::Float"""
2199 return _IMP_isd.Switching_get_switching(self)
2201 def set_switching(self, d):
2202 r"""set_switching(Switching self, IMP::Float d)"""
2203 return _IMP_isd.Switching_set_switching(self, d)
2205 def add_to_switching_derivative(self, d, accum):
2206 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2207 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2209 def get_switching_derivative(self):
2210 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2211 return _IMP_isd.Switching_get_switching_derivative(self)
2214 def get_switching_key():
2215 r"""get_switching_key() -> FloatKey"""
2216 return _IMP_isd.Switching_get_switching_key()
2218 def get_switching_is_optimized(self):
2219 r"""get_switching_is_optimized(Switching self) -> bool"""
2220 return _IMP_isd.Switching_get_switching_is_optimized(self)
2222 def set_switching_is_optimized(self, val):
2223 r"""set_switching_is_optimized(Switching self, bool val)"""
2224 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2226 def add_attribute(self, *args):
2228 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2229 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2230 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2231 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2232 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2233 add_attribute(Switching self, StringKey a0, IMP::String a1)
2234 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2235 add_attribute(Switching self, ObjectKey a0, Object a1)
2236 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2237 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2238 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2239 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2241 return _IMP_isd.Switching_add_attribute(self, *args)
2243 def get_value(self, *args):
2245 get_value(Switching self, FloatKey a0) -> IMP::Float
2246 get_value(Switching self, IntKey a0) -> IMP::Int
2247 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2248 get_value(Switching self, IntsKey a0) -> IMP::Ints
2249 get_value(Switching self, StringKey a0) -> IMP::String
2250 get_value(Switching self, ParticleIndexKey a0) -> Particle
2251 get_value(Switching self, ObjectKey a0) -> Object
2252 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2253 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2254 get_value(Switching self, SparseStringKey a0) -> IMP::String
2255 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2257 return _IMP_isd.Switching_get_value(self, *args)
2259 def set_value(self, *args):
2261 set_value(Switching self, FloatKey a0, IMP::Float a1)
2262 set_value(Switching self, IntKey a0, IMP::Int a1)
2263 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2264 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2265 set_value(Switching self, StringKey a0, IMP::String a1)
2266 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2267 set_value(Switching self, ObjectKey a0, Object a1)
2268 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2269 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2270 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2271 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2273 return _IMP_isd.Switching_set_value(self, *args)
2275 def remove_attribute(self, *args):
2277 remove_attribute(Switching self, FloatKey a0)
2278 remove_attribute(Switching self, IntKey a0)
2279 remove_attribute(Switching self, FloatsKey a0)
2280 remove_attribute(Switching self, IntsKey a0)
2281 remove_attribute(Switching self, StringKey a0)
2282 remove_attribute(Switching self, ParticleIndexKey a0)
2283 remove_attribute(Switching self, ObjectKey a0)
2284 remove_attribute(Switching self, SparseFloatKey a0)
2285 remove_attribute(Switching self, SparseIntKey a0)
2286 remove_attribute(Switching self, SparseStringKey a0)
2287 remove_attribute(Switching self, SparseParticleIndexKey a0)
2289 return _IMP_isd.Switching_remove_attribute(self, *args)
2291 def has_attribute(self, *args):
2293 has_attribute(Switching self, FloatKey a0) -> bool
2294 has_attribute(Switching self, IntKey a0) -> bool
2295 has_attribute(Switching self, FloatsKey a0) -> bool
2296 has_attribute(Switching self, IntsKey a0) -> bool
2297 has_attribute(Switching self, StringKey a0) -> bool
2298 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2299 has_attribute(Switching self, ObjectKey a0) -> bool
2300 has_attribute(Switching self, SparseFloatKey a0) -> bool
2301 has_attribute(Switching self, SparseIntKey a0) -> bool
2302 has_attribute(Switching self, SparseStringKey a0) -> bool
2303 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2305 return _IMP_isd.Switching_has_attribute(self, *args)
2307 def get_derivative(self, a0):
2308 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2309 return _IMP_isd.Switching_get_derivative(self, a0)
2312 r"""get_name(Switching self) -> std::string"""
2313 return _IMP_isd.Switching_get_name(self)
2316 r"""clear_caches(Switching self)"""
2317 return _IMP_isd.Switching_clear_caches(self)
2319 def set_name(self, a0):
2320 r"""set_name(Switching self, std::string a0)"""
2321 return _IMP_isd.Switching_set_name(self, a0)
2324 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2325 return _IMP_isd.Switching_set_check_level(self, a0)
2327 def add_to_derivative(self, a0, a1, a2):
2328 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2329 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2331 def set_is_optimized(self, a0, a1):
2332 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2333 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2335 def get_is_optimized(self, a0):
2336 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2337 return _IMP_isd.Switching_get_is_optimized(self, a0)
2339 def get_check_level(self):
2340 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2341 return _IMP_isd.Switching_get_check_level(self)
2343 def __eq__(self, *args):
2345 __eq__(Switching self, Switching o) -> bool
2346 __eq__(Switching self, Particle d) -> bool
2348 return _IMP_isd.Switching___eq__(self, *args)
2350 def __ne__(self, *args):
2352 __ne__(Switching self, Switching o) -> bool
2353 __ne__(Switching self, Particle d) -> bool
2355 return _IMP_isd.Switching___ne__(self, *args)
2357 def __le__(self, *args):
2359 __le__(Switching self, Switching o) -> bool
2360 __le__(Switching self, Particle d) -> bool
2362 return _IMP_isd.Switching___le__(self, *args)
2364 def __lt__(self, *args):
2366 __lt__(Switching self, Switching o) -> bool
2367 __lt__(Switching self, Particle d) -> bool
2369 return _IMP_isd.Switching___lt__(self, *args)
2371 def __ge__(self, *args):
2373 __ge__(Switching self, Switching o) -> bool
2374 __ge__(Switching self, Particle d) -> bool
2376 return _IMP_isd.Switching___ge__(self, *args)
2378 def __gt__(self, *args):
2380 __gt__(Switching self, Switching o) -> bool
2381 __gt__(Switching self, Particle d) -> bool
2383 return _IMP_isd.Switching___gt__(self, *args)
2386 r"""__hash__(Switching self) -> std::size_t"""
2387 return _IMP_isd.Switching___hash__(self)
2390 r"""__str__(Switching self) -> std::string"""
2391 return _IMP_isd.Switching___str__(self)
2394 r"""__repr__(Switching self) -> std::string"""
2395 return _IMP_isd.Switching___repr__(self)
2397 def _get_as_binary(self):
2398 r"""_get_as_binary(Switching self) -> PyObject *"""
2399 return _IMP_isd.Switching__get_as_binary(self)
2401 def _set_from_binary(self, p):
2402 r"""_set_from_binary(Switching self, PyObject * p)"""
2403 return _IMP_isd.Switching__set_from_binary(self, p)
2405 def __getstate__(self):
2406 p = self._get_as_binary()
2407 if len(self.__dict__) > 1:
2408 d = self.__dict__.copy()
2413 def __setstate__(self, p):
2414 if not hasattr(self,
'this'):
2416 if isinstance(p, tuple):
2418 self.__dict__.update(d)
2419 return self._set_from_binary(p)
2421 __swig_destroy__ = _IMP_isd.delete_Switching
2424 _IMP_isd.Switching_swigregister(Switching)
2426 r"""Proxy of C++ IMP::isd::Weight class."""
2428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2430 def __init__(self, *args):
2432 __init__(Weight self) -> Weight
2433 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2434 __init__(Weight self, _ParticleAdaptor d) -> Weight
2436 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2438 def show(self, *args):
2439 r"""show(Weight self, _ostream out=std::cout)"""
2440 return _IMP_isd.Weight_show(self, *args)
2443 def setup_particle(*args):
2445 setup_particle(Model m, ParticleIndex pi) -> Weight
2446 setup_particle(_ParticleAdaptor pa) -> Weight
2447 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2448 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2449 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2450 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2452 return _IMP_isd.Weight_setup_particle(*args)
2455 def get_number_of_weights_key():
2456 r"""get_number_of_weights_key() -> IntKey"""
2457 return _IMP_isd.Weight_get_number_of_weights_key()
2460 def get_weight_key(i):
2461 r"""get_weight_key(int i) -> FloatKey"""
2462 return _IMP_isd.Weight_get_weight_key(i)
2464 def get_weight_keys(self):
2465 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2466 return _IMP_isd.Weight_get_weight_keys(self)
2468 def get_weight(self, i):
2469 r"""get_weight(Weight self, int i) -> IMP::Float"""
2470 return _IMP_isd.Weight_get_weight(self, i)
2472 def get_weights(self):
2473 r"""get_weights(Weight self) -> VectorKD"""
2474 return _IMP_isd.Weight_get_weights(self)
2476 def set_weight_lazy(self, i, wi):
2477 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2478 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2480 def set_weights_lazy(self, w):
2481 r"""set_weights_lazy(Weight self, VectorKD w)"""
2482 return _IMP_isd.Weight_set_weights_lazy(self, w)
2484 def set_weights(self, w):
2485 r"""set_weights(Weight self, VectorKD w)"""
2486 return _IMP_isd.Weight_set_weights(self, w)
2488 def get_weights_are_optimized(self):
2489 r"""get_weights_are_optimized(Weight self) -> bool"""
2490 return _IMP_isd.Weight_get_weights_are_optimized(self)
2492 def set_weights_are_optimized(self, tf):
2493 r"""set_weights_are_optimized(Weight self, bool tf)"""
2494 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2496 def get_weight_derivative(self, i):
2497 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2498 return _IMP_isd.Weight_get_weight_derivative(self, i)
2500 def get_weights_derivatives(self):
2501 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2502 return _IMP_isd.Weight_get_weights_derivatives(self)
2504 def add_to_weight_derivative(self, i, dwi, da):
2505 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2506 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2508 def add_to_weights_derivatives(self, dw, da):
2509 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2510 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2512 def add_weight_lazy(self, wi=0):
2513 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2514 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2516 def add_weight(self, wi=0):
2517 r"""add_weight(Weight self, IMP::Float wi=0)"""
2518 return _IMP_isd.Weight_add_weight(self, wi)
2520 def get_number_of_weights(self):
2521 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2522 return _IMP_isd.Weight_get_number_of_weights(self)
2524 def get_unit_simplex(self):
2525 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2526 return _IMP_isd.Weight_get_unit_simplex(self)
2528 def set_number_of_weights_lazy(self, nweights):
2529 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2530 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2532 def set_number_of_weights(self, nweights):
2533 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2534 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2537 def get_is_setup(*args):
2539 get_is_setup(_ParticleAdaptor p) -> bool
2540 get_is_setup(Model m, ParticleIndex pi) -> bool
2542 return _IMP_isd.Weight_get_is_setup(*args)
2544 def add_attribute(self, *args):
2546 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2547 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2548 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2549 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2550 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2551 add_attribute(Weight self, StringKey a0, IMP::String a1)
2552 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2553 add_attribute(Weight self, ObjectKey a0, Object a1)
2554 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2555 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2556 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2557 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2559 return _IMP_isd.Weight_add_attribute(self, *args)
2561 def get_value(self, *args):
2563 get_value(Weight self, FloatKey a0) -> IMP::Float
2564 get_value(Weight self, IntKey a0) -> IMP::Int
2565 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2566 get_value(Weight self, IntsKey a0) -> IMP::Ints
2567 get_value(Weight self, StringKey a0) -> IMP::String
2568 get_value(Weight self, ParticleIndexKey a0) -> Particle
2569 get_value(Weight self, ObjectKey a0) -> Object
2570 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2571 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2572 get_value(Weight self, SparseStringKey a0) -> IMP::String
2573 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2575 return _IMP_isd.Weight_get_value(self, *args)
2577 def set_value(self, *args):
2579 set_value(Weight self, FloatKey a0, IMP::Float a1)
2580 set_value(Weight self, IntKey a0, IMP::Int a1)
2581 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2582 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2583 set_value(Weight self, StringKey a0, IMP::String a1)
2584 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2585 set_value(Weight self, ObjectKey a0, Object a1)
2586 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2587 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2588 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2589 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2591 return _IMP_isd.Weight_set_value(self, *args)
2593 def remove_attribute(self, *args):
2595 remove_attribute(Weight self, FloatKey a0)
2596 remove_attribute(Weight self, IntKey a0)
2597 remove_attribute(Weight self, FloatsKey a0)
2598 remove_attribute(Weight self, IntsKey a0)
2599 remove_attribute(Weight self, StringKey a0)
2600 remove_attribute(Weight self, ParticleIndexKey a0)
2601 remove_attribute(Weight self, ObjectKey a0)
2602 remove_attribute(Weight self, SparseFloatKey a0)
2603 remove_attribute(Weight self, SparseIntKey a0)
2604 remove_attribute(Weight self, SparseStringKey a0)
2605 remove_attribute(Weight self, SparseParticleIndexKey a0)
2607 return _IMP_isd.Weight_remove_attribute(self, *args)
2609 def has_attribute(self, *args):
2611 has_attribute(Weight self, FloatKey a0) -> bool
2612 has_attribute(Weight self, IntKey a0) -> bool
2613 has_attribute(Weight self, FloatsKey a0) -> bool
2614 has_attribute(Weight self, IntsKey a0) -> bool
2615 has_attribute(Weight self, StringKey a0) -> bool
2616 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2617 has_attribute(Weight self, ObjectKey a0) -> bool
2618 has_attribute(Weight self, SparseFloatKey a0) -> bool
2619 has_attribute(Weight self, SparseIntKey a0) -> bool
2620 has_attribute(Weight self, SparseStringKey a0) -> bool
2621 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2623 return _IMP_isd.Weight_has_attribute(self, *args)
2625 def get_derivative(self, a0):
2626 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2627 return _IMP_isd.Weight_get_derivative(self, a0)
2630 r"""get_name(Weight self) -> std::string"""
2631 return _IMP_isd.Weight_get_name(self)
2634 r"""clear_caches(Weight self)"""
2635 return _IMP_isd.Weight_clear_caches(self)
2637 def set_name(self, a0):
2638 r"""set_name(Weight self, std::string a0)"""
2639 return _IMP_isd.Weight_set_name(self, a0)
2642 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2643 return _IMP_isd.Weight_set_check_level(self, a0)
2645 def add_to_derivative(self, a0, a1, a2):
2646 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2647 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2649 def set_is_optimized(self, a0, a1):
2650 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2651 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2653 def get_is_optimized(self, a0):
2654 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2655 return _IMP_isd.Weight_get_is_optimized(self, a0)
2657 def get_check_level(self):
2658 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2659 return _IMP_isd.Weight_get_check_level(self)
2661 def __eq__(self, *args):
2663 __eq__(Weight self, Weight o) -> bool
2664 __eq__(Weight self, Particle d) -> bool
2666 return _IMP_isd.Weight___eq__(self, *args)
2668 def __ne__(self, *args):
2670 __ne__(Weight self, Weight o) -> bool
2671 __ne__(Weight self, Particle d) -> bool
2673 return _IMP_isd.Weight___ne__(self, *args)
2675 def __le__(self, *args):
2677 __le__(Weight self, Weight o) -> bool
2678 __le__(Weight self, Particle d) -> bool
2680 return _IMP_isd.Weight___le__(self, *args)
2682 def __lt__(self, *args):
2684 __lt__(Weight self, Weight o) -> bool
2685 __lt__(Weight self, Particle d) -> bool
2687 return _IMP_isd.Weight___lt__(self, *args)
2689 def __ge__(self, *args):
2691 __ge__(Weight self, Weight o) -> bool
2692 __ge__(Weight self, Particle d) -> bool
2694 return _IMP_isd.Weight___ge__(self, *args)
2696 def __gt__(self, *args):
2698 __gt__(Weight self, Weight o) -> bool
2699 __gt__(Weight self, Particle d) -> bool
2701 return _IMP_isd.Weight___gt__(self, *args)
2704 r"""__hash__(Weight self) -> std::size_t"""
2705 return _IMP_isd.Weight___hash__(self)
2708 r"""__str__(Weight self) -> std::string"""
2709 return _IMP_isd.Weight___str__(self)
2712 r"""__repr__(Weight self) -> std::string"""
2713 return _IMP_isd.Weight___repr__(self)
2715 def _get_as_binary(self):
2716 r"""_get_as_binary(Weight self) -> PyObject *"""
2717 return _IMP_isd.Weight__get_as_binary(self)
2719 def _set_from_binary(self, p):
2720 r"""_set_from_binary(Weight self, PyObject * p)"""
2721 return _IMP_isd.Weight__set_from_binary(self, p)
2723 def __getstate__(self):
2724 p = self._get_as_binary()
2725 if len(self.__dict__) > 1:
2726 d = self.__dict__.copy()
2731 def __setstate__(self, p):
2732 if not hasattr(self,
'this'):
2734 if isinstance(p, tuple):
2736 self.__dict__.update(d)
2737 return self._set_from_binary(p)
2739 __swig_destroy__ = _IMP_isd.delete_Weight
2742 _IMP_isd.Weight_swigregister(Weight)
2743 cvar = _IMP_isd.cvar
2744 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2747 def __lshift__(*args):
2749 __lshift__(_ostream out, Nuisance n) -> _ostream
2750 __lshift__(_ostream out, Scale n) -> _ostream
2751 __lshift__(_ostream out, Switching n) -> _ostream
2752 __lshift__(_ostream out, Weight n) -> _ostream
2754 return _IMP_isd.__lshift__(*args)
2756 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2758 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2760 def __init__(self, *args):
2762 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2763 __init__(JeffreysRestraint self) -> JeffreysRestraint
2765 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2768 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2769 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2772 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2773 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2774 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2777 r"""get_index(JeffreysRestraint self) -> ParticleIndex"""
2778 return _IMP_isd.JeffreysRestraint_get_index(self)
2780 def get_probability(self):
2781 r"""get_probability(JeffreysRestraint self) -> double"""
2782 return _IMP_isd.JeffreysRestraint_get_probability(self)
2785 r"""__str__(JeffreysRestraint self) -> std::string"""
2786 return _IMP_isd.JeffreysRestraint___str__(self)
2789 r"""__repr__(JeffreysRestraint self) -> std::string"""
2790 return _IMP_isd.JeffreysRestraint___repr__(self)
2794 return _object_cast_to_JeffreysRestraint(o)
2797 def _get_as_binary(self):
2798 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2799 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2801 def _set_from_binary(self, p):
2802 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2803 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2805 def __getstate__(self):
2806 p = self._get_as_binary()
2807 if len(self.__dict__) > 1:
2808 d = self.__dict__.copy()
2813 def __setstate__(self, p):
2814 if not hasattr(self,
'this'):
2816 if isinstance(p, tuple):
2818 self.__dict__.update(d)
2819 return self._set_from_binary(p)
2823 import jax.numpy
as jnp
2824 indexes = jnp.array([self.get_index()])
2826 nuisance = jm[
'nuisance'][indexes]
2827 return jnp.sum(jnp.log(nuisance))
2828 return self._wrap_jax(score, keys=[Scale.get_scale_key()])
2832 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2834 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2836 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2838 def __init__(self, *args):
2840 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2841 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2843 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2845 def get_sigma(self):
2846 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2847 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2849 def get_alpha(self):
2850 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2851 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2853 def get_sigma_upper(self):
2854 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2855 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2857 def get_probability(self):
2858 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2859 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2862 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2863 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2866 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2867 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2868 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2871 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2872 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2875 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2876 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2880 return _object_cast_to_NormalSigmaPCRestraint(o)
2884 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2886 r"""Proxy of C++ IMP::isd::Distribution class."""
2888 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2890 def __init__(self, *args):
2891 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2892 if self.__class__ == Distribution:
2896 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2898 if self.__class__ != Distribution:
2899 _director_objects.register(self)
2904 def get_type_name(self):
2905 r"""get_type_name(Distribution self) -> std::string"""
2906 return _IMP_isd.Distribution_get_type_name(self)
2909 r"""get_version_info(Distribution self) -> VersionInfo"""
2910 return _IMP_isd.Distribution_get_version_info(self)
2911 __swig_destroy__ = _IMP_isd.delete_Distribution
2914 r"""__str__(Distribution self) -> std::string"""
2915 return _IMP_isd.Distribution___str__(self)
2918 r"""__repr__(Distribution self) -> std::string"""
2919 return _IMP_isd.Distribution___repr__(self)
2923 return _object_cast_to_Distribution(o)
2926 def do_show(self, out):
2931 return _object_cast_to_Distribution(o)
2933 def __disown__(self):
2935 _IMP_isd.disown_Distribution(self)
2936 return weakref.proxy(self)
2939 r"""do_destroy(Distribution self)"""
2940 return _IMP_isd.Distribution_do_destroy(self)
2943 _IMP_isd.Distribution_swigregister(Distribution)
2944 class OneDimensionalDistribution(Distribution):
2945 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2949 def do_evaluate(self, *args):
2951 do_evaluate(OneDimensionalDistribution self, double v) -> double
2952 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2954 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2956 def do_get_density(self, *args):
2958 do_get_density(OneDimensionalDistribution self, double v) -> double
2959 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2961 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2963 def __init__(self, *args):
2964 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2965 if self.__class__ == OneDimensionalDistribution:
2969 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2971 if self.__class__ != OneDimensionalDistribution:
2972 _director_objects.register(self)
2977 def evaluate(self, *args):
2979 evaluate(OneDimensionalDistribution self, double v) -> double
2980 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2982 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2984 def get_density(self, *args):
2986 get_density(OneDimensionalDistribution self, double v) -> double
2987 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2989 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2991 def get_type_name(self):
2992 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2993 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2996 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2997 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2998 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
3001 r"""__str__(OneDimensionalDistribution self) -> std::string"""
3002 return _IMP_isd.OneDimensionalDistribution___str__(self)
3005 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
3006 return _IMP_isd.OneDimensionalDistribution___repr__(self)
3010 return _object_cast_to_OneDimensionalDistribution(o)
3013 def do_show(self, out):
3018 return _object_cast_to_OneDimensionalDistribution(o)
3020 def __disown__(self):
3022 _IMP_isd.disown_OneDimensionalDistribution(self)
3023 return weakref.proxy(self)
3026 r"""do_destroy(OneDimensionalDistribution self)"""
3027 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
3030 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
3031 class OneDimensionalSufficientDistribution(Distribution):
3032 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
3034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3036 def do_update_sufficient_statistics(self, vs):
3037 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3038 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
3040 def do_get_sufficient_statistics(self):
3041 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3042 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
3044 def do_evaluate(self):
3045 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
3046 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
3048 def do_get_density(self):
3049 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
3050 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
3052 def __init__(self, *args):
3053 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
3054 if self.__class__ == OneDimensionalSufficientDistribution:
3058 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
3060 if self.__class__ != OneDimensionalSufficientDistribution:
3061 _director_objects.register(self)
3066 def update_sufficient_statistics(self, vs):
3067 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3068 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
3070 def get_sufficient_statistics(self):
3071 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3072 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
3075 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
3076 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
3078 def get_density(self):
3079 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
3080 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
3082 def get_type_name(self):
3083 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
3084 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
3087 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
3088 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
3089 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
3092 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
3093 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
3096 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
3097 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
3101 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3104 def do_show(self, out):
3109 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3111 def __disown__(self):
3113 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
3114 return weakref.proxy(self)
3117 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
3118 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
3121 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
3122 class FNormal(OneDimensionalSufficientDistribution):
3123 r"""Proxy of C++ IMP::isd::FNormal class."""
3125 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3127 def __init__(self, FA, JA, FM, sigma):
3128 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
3129 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
3131 def update_sufficient_statistics(self, FA):
3132 r"""update_sufficient_statistics(FNormal self, double FA)"""
3133 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
3135 def do_update_sufficient_statistics(self, data):
3136 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
3137 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
3139 def do_get_sufficient_statistics(self):
3140 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
3141 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
3143 def do_evaluate(self):
3144 r"""do_evaluate(FNormal self) -> double"""
3145 return _IMP_isd.FNormal_do_evaluate(self)
3147 def evaluate_derivative_FA(self):
3148 r"""evaluate_derivative_FA(FNormal self) -> double"""
3149 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
3151 def evaluate_derivative_JA(self):
3152 r"""evaluate_derivative_JA(FNormal self) -> double"""
3153 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
3155 def evaluate_derivative_FM(self):
3156 r"""evaluate_derivative_FM(FNormal self) -> double"""
3157 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
3159 def evaluate_derivative_sigma(self):
3160 r"""evaluate_derivative_sigma(FNormal self) -> double"""
3161 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
3163 def do_get_density(self):
3164 r"""do_get_density(FNormal self) -> double"""
3165 return _IMP_isd.FNormal_do_get_density(self)
3167 def set_FA(self, f):
3168 r"""set_FA(FNormal self, double f)"""
3169 return _IMP_isd.FNormal_set_FA(self, f)
3171 def set_JA(self, f):
3172 r"""set_JA(FNormal self, double f)"""
3173 return _IMP_isd.FNormal_set_JA(self, f)
3175 def set_FM(self, f):
3176 r"""set_FM(FNormal self, double f)"""
3177 return _IMP_isd.FNormal_set_FM(self, f)
3179 def set_sigma(self, f):
3180 r"""set_sigma(FNormal self, double f)"""
3181 return _IMP_isd.FNormal_set_sigma(self, f)
3182 __swig_destroy__ = _IMP_isd.delete_FNormal
3185 r"""__str__(FNormal self) -> std::string"""
3186 return _IMP_isd.FNormal___str__(self)
3189 r"""__repr__(FNormal self) -> std::string"""
3190 return _IMP_isd.FNormal___repr__(self)
3194 return _object_cast_to_FNormal(o)
3198 _IMP_isd.FNormal_swigregister(FNormal)
3199 class FStudentT(OneDimensionalSufficientDistribution):
3200 r"""Proxy of C++ IMP::isd::FStudentT class."""
3202 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3204 def __init__(self, *args):
3206 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3207 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3209 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3211 def update_sufficient_statistics(self, FXs, JXs):
3212 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3213 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3215 def evaluate_derivative_Fx(self, Fx):
3216 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3217 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3219 def evaluate_derivative_FX(self, FXs):
3220 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3221 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3223 def evaluate_derivative_LogJX(self):
3224 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3225 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3227 def evaluate_derivative_FM(self):
3228 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3229 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3231 def evaluate_derivative_sigma(self):
3232 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3233 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3235 def evaluate_derivative_nu(self):
3236 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3237 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3239 def update_cached_values(self):
3240 r"""update_cached_values(FStudentT self)"""
3241 return _IMP_isd.FStudentT_update_cached_values(self)
3243 def set_sumFX(self, v):
3244 r"""set_sumFX(FStudentT self, double v)"""
3245 return _IMP_isd.FStudentT_set_sumFX(self, v)
3247 def set_sumFX2(self, v):
3248 r"""set_sumFX2(FStudentT self, double v)"""
3249 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3252 r"""set_N(FStudentT self, unsigned int v)"""
3253 return _IMP_isd.FStudentT_set_N(self, v)
3255 def set_LogJX(self, v):
3256 r"""set_LogJX(FStudentT self, double v)"""
3257 return _IMP_isd.FStudentT_set_LogJX(self, v)
3259 def set_FM(self, v):
3260 r"""set_FM(FStudentT self, double v)"""
3261 return _IMP_isd.FStudentT_set_FM(self, v)
3263 def set_sigma(self, v):
3264 r"""set_sigma(FStudentT self, double v)"""
3265 return _IMP_isd.FStudentT_set_sigma(self, v)
3267 def set_nu(self, v):
3268 r"""set_nu(FStudentT self, double v)"""
3269 return _IMP_isd.FStudentT_set_nu(self, v)
3271 def get_sumFX(self):
3272 r"""get_sumFX(FStudentT self) -> double"""
3273 return _IMP_isd.FStudentT_get_sumFX(self)
3275 def get_sumFX2(self):
3276 r"""get_sumFX2(FStudentT self) -> double"""
3277 return _IMP_isd.FStudentT_get_sumFX2(self)
3280 r"""get_N(FStudentT self) -> unsigned int"""
3281 return _IMP_isd.FStudentT_get_N(self)
3283 def get_LogJX(self):
3284 r"""get_LogJX(FStudentT self) -> double"""
3285 return _IMP_isd.FStudentT_get_LogJX(self)
3288 r"""get_FM(FStudentT self) -> double"""
3289 return _IMP_isd.FStudentT_get_FM(self)
3291 def get_sigma(self):
3292 r"""get_sigma(FStudentT self) -> double"""
3293 return _IMP_isd.FStudentT_get_sigma(self)
3296 r"""get_nu(FStudentT self) -> double"""
3297 return _IMP_isd.FStudentT_get_nu(self)
3298 __swig_destroy__ = _IMP_isd.delete_FStudentT
3301 r"""__str__(FStudentT self) -> std::string"""
3302 return _IMP_isd.FStudentT___str__(self)
3305 r"""__repr__(FStudentT self) -> std::string"""
3306 return _IMP_isd.FStudentT___repr__(self)
3310 return _object_cast_to_FStudentT(o)
3314 _IMP_isd.FStudentT_swigregister(FStudentT)
3316 r"""Proxy of C++ IMP::isd::vonMises class."""
3318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3320 def __init__(self, x, mu, kappa):
3321 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3322 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3325 r"""evaluate(vonMises self) -> double"""
3326 return _IMP_isd.vonMises_evaluate(self)
3328 def evaluate_derivative_x(self):
3329 r"""evaluate_derivative_x(vonMises self) -> double"""
3330 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3332 def evaluate_derivative_mu(self):
3333 r"""evaluate_derivative_mu(vonMises self) -> double"""
3334 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3336 def evaluate_derivative_kappa(self):
3337 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3338 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3341 r"""density(vonMises self) -> double"""
3342 return _IMP_isd.vonMises_density(self)
3345 r"""set_x(vonMises self, double x)"""
3346 return _IMP_isd.vonMises_set_x(self, x)
3348 def set_mu(self, mu):
3349 r"""set_mu(vonMises self, double mu)"""
3350 return _IMP_isd.vonMises_set_mu(self, mu)
3352 def set_kappa(self, kappa):
3353 r"""set_kappa(vonMises self, double kappa)"""
3354 return _IMP_isd.vonMises_set_kappa(self, kappa)
3357 r"""get_version_info(vonMises self) -> VersionInfo"""
3358 return _IMP_isd.vonMises_get_version_info(self)
3359 __swig_destroy__ = _IMP_isd.delete_vonMises
3362 r"""__str__(vonMises self) -> std::string"""
3363 return _IMP_isd.vonMises___str__(self)
3366 r"""__repr__(vonMises self) -> std::string"""
3367 return _IMP_isd.vonMises___repr__(self)
3371 return _object_cast_to_vonMises(o)
3375 _IMP_isd.vonMises_swigregister(vonMises)
3377 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3379 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3381 def __init__(self, *args):
3383 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3384 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3386 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3389 r"""evaluate(vonMisesSufficient self) -> double"""
3390 return _IMP_isd.vonMisesSufficient_evaluate(self)
3392 def evaluate_derivative_x(self):
3393 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3394 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3396 def evaluate_derivative_kappa(self):
3397 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3398 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3401 r"""density(vonMisesSufficient self) -> double"""
3402 return _IMP_isd.vonMisesSufficient_density(self)
3405 r"""get_x(vonMisesSufficient self) -> double"""
3406 return _IMP_isd.vonMisesSufficient_get_x(self)
3409 r"""get_R0(vonMisesSufficient self) -> double"""
3410 return _IMP_isd.vonMisesSufficient_get_R0(self)
3412 def get_chiexp(self):
3413 r"""get_chiexp(vonMisesSufficient self) -> double"""
3414 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3417 r"""get_N(vonMisesSufficient self) -> double"""
3418 return _IMP_isd.vonMisesSufficient_get_N(self)
3420 def get_kappa(self):
3421 r"""get_kappa(vonMisesSufficient self) -> double"""
3422 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3425 r"""set_x(vonMisesSufficient self, double x)"""
3426 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3428 def set_R0(self, R0):
3429 r"""set_R0(vonMisesSufficient self, double R0)"""
3430 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3432 def set_chiexp(self, chiexp):
3433 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3434 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3437 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3438 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3440 def set_kappa(self, kappa):
3441 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3442 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3445 def get_sufficient_statistics(data):
3446 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3447 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3450 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3451 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3452 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3455 r"""__str__(vonMisesSufficient self) -> std::string"""
3456 return _IMP_isd.vonMisesSufficient___str__(self)
3459 r"""__repr__(vonMisesSufficient self) -> std::string"""
3460 return _IMP_isd.vonMisesSufficient___repr__(self)
3464 return _object_cast_to_vonMisesSufficient(o)
3468 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3469 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3470 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3472 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3474 def __init__(self, *args):
3475 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3476 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3478 def update_sufficient_statistics(self, Dxis, Jxis):
3479 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3480 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3482 def evaluate_derivative_Dxi(self):
3483 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3484 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3486 def evaluate_derivative_Jxi(self):
3487 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3488 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3490 def evaluate_derivative_alpha(self):
3491 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3492 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3494 def evaluate_derivative_xi(self, JJxi):
3495 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3496 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3498 def set_Dxi(self, v):
3499 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3500 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3502 def set_Jxi(self, v):
3503 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3504 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3506 def set_alpha(self, v):
3507 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3508 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3511 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3512 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3515 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3516 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3518 def get_alpha(self):
3519 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3520 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3521 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3524 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3525 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3528 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3529 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3533 return _object_cast_to_PenalizedComplexityPrior(o)
3537 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3539 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3541 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3543 def __init__(self, m, kappa):
3544 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3545 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3548 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3549 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3552 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3553 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3554 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3556 def get_probability(self):
3557 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3558 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3561 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3562 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3565 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3566 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3570 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3574 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3576 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3578 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3580 def __init__(self, m, kappa, c=10.0, R0=0.0):
3581 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3582 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3585 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3586 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3589 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3590 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3591 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3593 def get_probability(self):
3594 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3595 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3598 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3599 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3602 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3603 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3607 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3611 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3613 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3615 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3617 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3618 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3619 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3621 def get_probability(self):
3622 r"""get_probability(NOERestraint self) -> double"""
3623 return _IMP_isd.NOERestraint_get_probability(self)
3626 r"""get_chi(NOERestraint self) -> double"""
3627 return _IMP_isd.NOERestraint_get_chi(self)
3630 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3631 return _IMP_isd.NOERestraint_do_get_inputs(self)
3634 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3635 return _IMP_isd.NOERestraint_get_version_info(self)
3636 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3639 r"""__str__(NOERestraint self) -> std::string"""
3640 return _IMP_isd.NOERestraint___str__(self)
3643 r"""__repr__(NOERestraint self) -> std::string"""
3644 return _IMP_isd.NOERestraint___repr__(self)
3648 return _object_cast_to_NOERestraint(o)
3652 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3654 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3658 def __init__(self, *args):
3660 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3661 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3662 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3663 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3664 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3665 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3666 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3668 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3670 def get_probability(self):
3671 r"""get_probability(GaussianRestraint self) -> double"""
3672 return _IMP_isd.GaussianRestraint_get_probability(self)
3675 r"""get_chi(GaussianRestraint self) -> double"""
3676 return _IMP_isd.GaussianRestraint_get_chi(self)
3679 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3680 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3683 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3684 return _IMP_isd.GaussianRestraint_get_version_info(self)
3685 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3688 r"""__str__(GaussianRestraint self) -> std::string"""
3689 return _IMP_isd.GaussianRestraint___str__(self)
3692 r"""__repr__(GaussianRestraint self) -> std::string"""
3693 return _IMP_isd.GaussianRestraint___repr__(self)
3697 return _object_cast_to_GaussianRestraint(o)
3701 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3703 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3707 def __init__(self, *args):
3709 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3710 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3711 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3712 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3713 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3714 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3715 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3716 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3717 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3718 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3719 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3720 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3721 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3722 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3723 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3725 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3727 def get_probability(self):
3728 r"""get_probability(StudentTRestraint self) -> double"""
3729 return _IMP_isd.StudentTRestraint_get_probability(self)
3732 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3733 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3736 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3737 return _IMP_isd.StudentTRestraint_get_version_info(self)
3738 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3741 r"""__str__(StudentTRestraint self) -> std::string"""
3742 return _IMP_isd.StudentTRestraint___str__(self)
3745 r"""__repr__(StudentTRestraint self) -> std::string"""
3746 return _IMP_isd.StudentTRestraint___repr__(self)
3750 return _object_cast_to_StudentTRestraint(o)
3754 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3756 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3758 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3760 def __init__(self, *args):
3762 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3763 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3764 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3765 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3766 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3767 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3768 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3770 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3772 def get_probability(self):
3773 r"""get_probability(LognormalRestraint self) -> double"""
3774 return _IMP_isd.LognormalRestraint_get_probability(self)
3777 r"""get_chi(LognormalRestraint self) -> double"""
3778 return _IMP_isd.LognormalRestraint_get_chi(self)
3781 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3782 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3785 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3786 return _IMP_isd.LognormalRestraint_get_version_info(self)
3787 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3790 r"""__str__(LognormalRestraint self) -> std::string"""
3791 return _IMP_isd.LognormalRestraint___str__(self)
3794 r"""__repr__(LognormalRestraint self) -> std::string"""
3795 return _IMP_isd.LognormalRestraint___repr__(self)
3799 return _object_cast_to_LognormalRestraint(o)
3803 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3805 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3809 def __init__(self, p1, p2, ki, sigmaG):
3810 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3811 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3813 def add_contribution(self, lexp, omega):
3814 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3815 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3817 def get_number_of_contributions(self):
3818 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3819 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3821 def draw_k_from_posterior(self, kt):
3822 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3823 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3825 def get_probability(self):
3826 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3827 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3830 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3831 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3834 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3835 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3836 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3839 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3840 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3843 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3844 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3848 return _object_cast_to_LognormalAmbiguousRestraint(o)
3852 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3854 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3856 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3858 def __init__(self, *args):
3860 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3861 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3863 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3865 def get_probability(self):
3866 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3867 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3870 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3871 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3874 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3875 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3878 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3879 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3880 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3883 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3884 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3887 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3888 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3892 return _object_cast_to_AmbiguousNOERestraint(o)
3895 def _get_as_binary(self):
3896 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3897 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3899 def _set_from_binary(self, p):
3900 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3901 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3903 def __getstate__(self):
3904 p = self._get_as_binary()
3905 if len(self.__dict__) > 1:
3906 d = self.__dict__.copy()
3911 def __setstate__(self, p):
3912 if not hasattr(self,
'this'):
3914 if isinstance(p, tuple):
3916 self.__dict__.update(d)
3917 return self._set_from_binary(p)
3921 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3923 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3925 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3927 def __init__(self, m):
3928 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3929 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3931 def add_contribution(self, *args):
3933 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3934 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3936 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3938 def get_log_gammahat(self):
3939 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3940 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3943 r"""get_SS(MarginalNOERestraint self) -> double"""
3944 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3946 def get_number_of_contributions(self):
3947 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3948 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3950 def get_probability(self):
3951 r"""get_probability(MarginalNOERestraint self) -> double"""
3952 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3955 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3956 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3959 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3960 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3961 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3964 r"""__str__(MarginalNOERestraint self) -> std::string"""
3965 return _IMP_isd.MarginalNOERestraint___str__(self)
3968 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3969 return _IMP_isd.MarginalNOERestraint___repr__(self)
3973 return _object_cast_to_MarginalNOERestraint(o)
3977 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3979 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3981 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3983 def __init__(self, m):
3984 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3985 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3987 def add_contribution(self, *args):
3989 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3990 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3992 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3994 def get_logsquares(self):
3995 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3996 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3998 def get_number_of_contributions(self):
3999 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
4000 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
4002 def get_probability(self):
4003 r"""get_probability(MarginalHBondRestraint self) -> double"""
4004 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
4007 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
4008 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
4011 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
4012 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
4013 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
4016 r"""__str__(MarginalHBondRestraint self) -> std::string"""
4017 return _IMP_isd.MarginalHBondRestraint___str__(self)
4020 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
4021 return _IMP_isd.MarginalHBondRestraint___repr__(self)
4025 return _object_cast_to_MarginalHBondRestraint(o)
4029 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
4031 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
4033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4035 def __init__(self, *args):
4037 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
4038 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
4039 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4040 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4042 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
4044 def get_probability(self):
4045 r"""get_probability(TALOSRestraint self) -> double"""
4046 return _IMP_isd.TALOSRestraint_get_probability(self)
4049 r"""get_R0(TALOSRestraint self) -> double"""
4050 return _IMP_isd.TALOSRestraint_get_R0(self)
4052 def get_chiexp(self):
4053 r"""get_chiexp(TALOSRestraint self) -> double"""
4054 return _IMP_isd.TALOSRestraint_get_chiexp(self)
4057 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
4058 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
4061 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
4062 return _IMP_isd.TALOSRestraint_get_version_info(self)
4063 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
4066 r"""__str__(TALOSRestraint self) -> std::string"""
4067 return _IMP_isd.TALOSRestraint___str__(self)
4070 r"""__repr__(TALOSRestraint self) -> std::string"""
4071 return _IMP_isd.TALOSRestraint___repr__(self)
4075 return _object_cast_to_TALOSRestraint(o)
4079 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
4081 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
4083 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4085 def __init__(self, d0, k):
4086 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
4087 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
4089 def get_rest_length(self):
4090 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
4091 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
4093 def get_stiffness(self):
4094 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
4095 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
4098 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4099 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
4101 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4102 r"""evaluate_indexes(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4103 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4105 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4106 r"""evaluate_indexes_scores(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
4107 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4109 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4110 r"""evaluate_indexes_delta(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
4111 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4113 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4114 r"""evaluate_if_good_indexes(RepulsiveDistancePairScore 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"""
4115 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4118 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
4119 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
4120 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
4123 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
4124 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
4127 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
4128 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
4132 return _object_cast_to_RepulsiveDistancePairScore(o)
4136 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
4138 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
4140 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4142 def __init__(self, *args):
4144 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
4145 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
4146 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
4148 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
4150 def get_probability(self):
4151 r"""get_probability(AmbiguousRestraint self) -> double"""
4152 return _IMP_isd.AmbiguousRestraint_get_probability(self)
4155 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
4156 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
4159 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
4160 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
4161 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
4164 r"""__str__(AmbiguousRestraint self) -> std::string"""
4165 return _IMP_isd.AmbiguousRestraint___str__(self)
4168 r"""__repr__(AmbiguousRestraint self) -> std::string"""
4169 return _IMP_isd.AmbiguousRestraint___repr__(self)
4173 return _object_cast_to_AmbiguousRestraint(o)
4176 def _get_as_binary(self):
4177 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
4178 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
4180 def _set_from_binary(self, p):
4181 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
4182 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4184 def __getstate__(self):
4185 p = self._get_as_binary()
4186 if len(self.__dict__) > 1:
4187 d = self.__dict__.copy()
4192 def __setstate__(self, p):
4193 if not hasattr(self,
'this'):
4195 if isinstance(p, tuple):
4197 self.__dict__.update(d)
4198 return self._set_from_binary(p)
4202 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4203 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4206 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4208 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4210 def __init__(self, *args, **kwargs):
4211 raise AttributeError(
"No constructor defined - class is abstract")
4213 def __call__(self, *args):
4215 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4216 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4217 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4219 return _IMP_isd.UnivariateFunction___call__(self, *args)
4221 def has_changed(self):
4222 r"""has_changed(UnivariateFunction self) -> bool"""
4223 return _IMP_isd.UnivariateFunction_has_changed(self)
4226 r"""update(UnivariateFunction self)"""
4227 return _IMP_isd.UnivariateFunction_update(self)
4229 def add_to_derivatives(self, x, accum):
4230 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4231 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4233 def add_to_particle_derivative(self, particle_no, value, accum):
4234 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4235 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4237 def get_derivative_vector(self, particle_no, xlist):
4238 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4239 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4241 def get_derivative_matrix(self, xlist, stupid):
4242 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4243 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4245 def get_second_derivative_vector(self, *args):
4247 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4248 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4250 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4252 def get_ndims_x(self):
4253 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4254 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4256 def get_ndims_y(self):
4257 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4258 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4260 def get_number_of_particles(self):
4261 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4262 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4264 def get_particle_is_optimized(self, particle_no):
4265 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4266 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4268 def get_number_of_optimized_particles(self):
4269 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4270 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4273 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4274 return _IMP_isd.UnivariateFunction_get_inputs(self)
4275 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4278 r"""__str__(UnivariateFunction self) -> std::string"""
4279 return _IMP_isd.UnivariateFunction___str__(self)
4282 r"""__repr__(UnivariateFunction self) -> std::string"""
4283 return _IMP_isd.UnivariateFunction___repr__(self)
4287 return _object_cast_to_UnivariateFunction(o)
4291 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4292 class Linear1DFunction(UnivariateFunction):
4293 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4295 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4297 def __init__(self, a, b):
4298 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4299 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4301 def __call__(self, *args):
4303 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4304 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4305 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4307 return _IMP_isd.Linear1DFunction___call__(self, *args)
4309 def get_second_derivative_vector(self, *args):
4311 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4312 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4314 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4317 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4318 return _IMP_isd.Linear1DFunction_get_version_info(self)
4319 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4322 r"""__str__(Linear1DFunction self) -> std::string"""
4323 return _IMP_isd.Linear1DFunction___str__(self)
4326 r"""__repr__(Linear1DFunction self) -> std::string"""
4327 return _IMP_isd.Linear1DFunction___repr__(self)
4331 return _object_cast_to_Linear1DFunction(o)
4335 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4336 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4337 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4341 def __init__(self, G, Rg, d, s, A):
4342 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4343 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4345 def __call__(self, *args):
4347 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4348 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4349 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4351 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4353 def get_second_derivative_vector(self, *args):
4355 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4356 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4358 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4361 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4362 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4363 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4366 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4367 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4370 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4371 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4375 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4379 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4380 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4383 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4387 def __init__(self, *args, **kwargs):
4388 raise AttributeError(
"No constructor defined - class is abstract")
4390 def __call__(self, *args):
4392 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4393 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4394 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4396 return _IMP_isd.BivariateFunction___call__(self, *args)
4398 def has_changed(self):
4399 r"""has_changed(BivariateFunction self) -> bool"""
4400 return _IMP_isd.BivariateFunction_has_changed(self)
4403 r"""update(BivariateFunction self)"""
4404 return _IMP_isd.BivariateFunction_update(self)
4406 def add_to_derivatives(self, x1, x2, accum):
4407 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4408 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4410 def add_to_particle_derivative(self, particle_no, value, accum):
4411 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4412 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4414 def get_derivative_matrix(self, *args):
4416 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4417 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4419 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4421 def get_second_derivative_matrix(self, *args):
4423 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4424 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4426 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4428 def get_ndims_x1(self):
4429 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4430 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4432 def get_ndims_x2(self):
4433 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4434 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4436 def get_ndims_y(self):
4437 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4438 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4440 def get_number_of_particles(self):
4441 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4442 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4444 def get_particle_is_optimized(self, particle_no):
4445 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4446 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4448 def get_number_of_optimized_particles(self):
4449 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4450 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4453 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4454 return _IMP_isd.BivariateFunction_get_inputs(self)
4455 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4458 r"""__str__(BivariateFunction self) -> std::string"""
4459 return _IMP_isd.BivariateFunction___str__(self)
4462 r"""__repr__(BivariateFunction self) -> std::string"""
4463 return _IMP_isd.BivariateFunction___repr__(self)
4467 return _object_cast_to_BivariateFunction(o)
4471 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4472 class Covariance1DFunction(BivariateFunction):
4473 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4475 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4477 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4478 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4479 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4481 def __call__(self, *args):
4483 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4484 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4485 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4487 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4489 def get_derivative_matrix(self, *args):
4491 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4492 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4494 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4496 def get_second_derivative_matrix(self, *args):
4498 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4499 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4501 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4504 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4505 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4506 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4509 r"""__str__(Covariance1DFunction self) -> std::string"""
4510 return _IMP_isd.Covariance1DFunction___str__(self)
4513 r"""__repr__(Covariance1DFunction self) -> std::string"""
4514 return _IMP_isd.Covariance1DFunction___repr__(self)
4518 return _object_cast_to_Covariance1DFunction(o)
4522 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4523 class GaussianProcessInterpolation(
IMP.Object):
4524 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4528 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4529 r"""__init__(GaussianProcessInterpolation self, IMP::FloatsList x, IMP::Floats sample_mean, IMP::Floats sample_std, unsigned int n_obs, UnivariateFunction mean_function, BivariateFunction covariance_function, Particle sigma, double sparse_cutoff=1e-7) -> GaussianProcessInterpolation"""
4530 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4532 def get_posterior_mean(self, x):
4533 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4534 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4536 def get_posterior_covariance(self, x1, x2):
4537 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4538 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4540 def get_posterior_covariance_matrix(self, x, arg3):
4541 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4542 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4544 def get_posterior_covariance_derivative(self, x, arg3):
4545 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4546 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4548 def get_posterior_covariance_hessian(self, x, arg3):
4549 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4550 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4553 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4554 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4556 def force_mean_update(self):
4557 r"""force_mean_update(GaussianProcessInterpolation self)"""
4558 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4560 def force_covariance_update(self):
4561 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4562 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4564 def get_number_of_m_particles(self):
4565 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4566 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4568 def get_m_particle_is_optimized(self, i):
4569 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4570 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4572 def get_number_of_Omega_particles(self):
4573 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4574 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4576 def get_Omega_particle_is_optimized(self, i):
4577 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4578 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4580 def get_data_abscissa(self):
4581 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4582 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4584 def get_data_mean(self):
4585 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4586 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4588 def get_data_variance(self):
4589 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4590 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4593 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4594 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4595 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4598 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4599 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4602 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4603 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4607 return _object_cast_to_GaussianProcessInterpolation(o)
4611 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4613 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4615 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4617 def __init__(self, m, gpi):
4618 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4619 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4621 def get_probability(self):
4622 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4623 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4625 def set_use_cg(self, use, tol):
4626 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4627 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4629 def get_minus_log_normalization(self):
4630 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4631 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4633 def get_minus_exponent(self):
4634 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4635 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4637 def get_logdet_hessian(self):
4638 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4639 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4641 def get_hessian(self, *args):
4643 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4644 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4646 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4649 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4650 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4653 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4654 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4655 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4658 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4659 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4662 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4663 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4667 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4671 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4673 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4675 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4677 def __init__(self, m=None):
4678 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4679 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4682 r"""__str__(MolecularDynamics self) -> std::string"""
4683 return _IMP_isd.MolecularDynamics___str__(self)
4686 r"""__repr__(MolecularDynamics self) -> std::string"""
4687 return _IMP_isd.MolecularDynamics___repr__(self)
4691 return _object_cast_to_MolecularDynamics(o)
4693 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4696 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4698 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4700 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4702 def __init__(self, m, nsteps=100, timestep=1.):
4703 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4704 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4707 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4708 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4710 def get_number_of_md_steps(self):
4711 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4712 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4714 def set_number_of_md_steps(self, nsteps):
4715 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4716 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4719 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4720 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4721 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4724 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4725 return _IMP_isd.MolecularDynamicsMover___str__(self)
4728 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4729 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4733 return _object_cast_to_MolecularDynamicsMover(o)
4737 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4739 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4741 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4743 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4744 r"""__init__(HybridMonteCarlo self, Model m, IMP::Float kT=1.0, unsigned int steps=100, IMP::Float timestep=1.0, unsigned int persistence=1) -> HybridMonteCarlo"""
4745 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4747 def get_kinetic_energy(self):
4748 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4749 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4751 def get_potential_energy(self):
4752 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4753 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4755 def get_total_energy(self):
4756 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4757 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4759 def set_timestep(self, ts):
4760 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4761 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4763 def get_timestep(self):
4764 r"""get_timestep(HybridMonteCarlo self) -> double"""
4765 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4767 def set_number_of_md_steps(self, nsteps):
4768 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4769 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4771 def get_number_of_md_steps(self):
4772 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4773 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4775 def set_persistence(self, persistence=1):
4776 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4777 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4779 def get_persistence(self):
4780 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4781 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4784 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4785 return _IMP_isd.HybridMonteCarlo_get_md(self)
4787 def do_evaluate(self, arg2, arg3):
4788 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4789 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4792 r"""do_step(HybridMonteCarlo self)"""
4793 return _IMP_isd.HybridMonteCarlo_do_step(self)
4794 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4797 r"""__str__(HybridMonteCarlo self) -> std::string"""
4798 return _IMP_isd.HybridMonteCarlo___str__(self)
4801 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4802 return _IMP_isd.HybridMonteCarlo___repr__(self)
4806 return _object_cast_to_HybridMonteCarlo(o)
4810 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4812 r"""Proxy of C++ IMP::isd::FretData class."""
4814 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4816 def __init__(self, *args):
4818 __init__(FretData self, IMP::Floats d_term, IMP::Floats d_center, IMP::Floats d_int, IMP::Floats s_grid, IMP::Float R0, IMP::Float Rmin, IMP::Float Rmax, bool do_limit=True) -> FretData
4819 __init__(FretData self) -> FretData
4821 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4823 def get_closest(self, vec, value):
4824 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4825 return _IMP_isd.FretData_get_closest(self, vec, value)
4827 def get_probability(self, distn, dist, sigma):
4828 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4829 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4831 def get_kernel(self, dist, R0):
4832 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4833 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4835 def get_marginal_element(self, d_term, d_center, sigma):
4836 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4837 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4840 r"""get_version_info(FretData self) -> VersionInfo"""
4841 return _IMP_isd.FretData_get_version_info(self)
4842 __swig_destroy__ = _IMP_isd.delete_FretData
4845 r"""__str__(FretData self) -> std::string"""
4846 return _IMP_isd.FretData___str__(self)
4849 r"""__repr__(FretData self) -> std::string"""
4850 return _IMP_isd.FretData___repr__(self)
4854 return _object_cast_to_FretData(o)
4857 def _get_as_binary(self):
4858 r"""_get_as_binary(FretData self) -> PyObject *"""
4859 return _IMP_isd.FretData__get_as_binary(self)
4861 def _set_from_binary(self, p):
4862 r"""_set_from_binary(FretData self, PyObject * p)"""
4863 return _IMP_isd.FretData__set_from_binary(self, p)
4865 def __getstate__(self):
4866 p = self._get_as_binary()
4867 if len(self.__dict__) > 1:
4868 d = self.__dict__.copy()
4873 def __setstate__(self, p):
4874 if not hasattr(self,
'this'):
4876 if isinstance(p, tuple):
4878 self.__dict__.update(d)
4879 return self._set_from_binary(p)
4883 _IMP_isd.FretData_swigregister(FretData)
4885 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4887 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4889 def __init__(self, *args):
4891 __init__(FretRestraint self, IMP::ParticlesTemp pd, IMP::ParticlesTemp pa, Particle kda, Particle Ida, Particle R0, Particle sigma0, Particle Pbl, double fexp, double m_d=1.0, double m_a=1.0) -> FretRestraint
4892 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4893 __init__(FretRestraint self, Particle prd, Vector3D GMMterd, IMP::algebra::Vector3Ds GMMctrd, IMP::Floats GMMwd, IMP::Floats GMMsigd, Particle pra, Vector3D GMMtera, IMP::algebra::Vector3Ds GMMctra, IMP::Floats GMMwa, IMP::Floats GMMsiga, Particle kda, Particle Ida, Particle sigma0, Particle Pbl, FretData data, double fexp) -> FretRestraint
4894 __init__(FretRestraint self) -> FretRestraint
4896 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4898 def get_sumFi(self):
4899 r"""get_sumFi(FretRestraint self) -> double"""
4900 return _IMP_isd.FretRestraint_get_sumFi(self)
4902 def get_average_sigma(self, fmod):
4903 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4904 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4906 def get_standard_error(self):
4907 r"""get_standard_error(FretRestraint self) -> double"""
4908 return _IMP_isd.FretRestraint_get_standard_error(self)
4910 def get_model_fretr(self):
4911 r"""get_model_fretr(FretRestraint self) -> double"""
4912 return _IMP_isd.FretRestraint_get_model_fretr(self)
4914 def get_probability(self):
4915 r"""get_probability(FretRestraint self) -> double"""
4916 return _IMP_isd.FretRestraint_get_probability(self)
4918 def get_experimental_value(self):
4919 r"""get_experimental_value(FretRestraint self) -> double"""
4920 return _IMP_isd.FretRestraint_get_experimental_value(self)
4922 def set_experimental_value(self, fexp):
4923 r"""set_experimental_value(FretRestraint self, double fexp)"""
4924 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4927 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4928 return _IMP_isd.FretRestraint_do_get_inputs(self)
4931 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4932 return _IMP_isd.FretRestraint_get_version_info(self)
4933 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4936 r"""__str__(FretRestraint self) -> std::string"""
4937 return _IMP_isd.FretRestraint___str__(self)
4940 r"""__repr__(FretRestraint self) -> std::string"""
4941 return _IMP_isd.FretRestraint___repr__(self)
4945 return _object_cast_to_FretRestraint(o)
4948 def _get_as_binary(self):
4949 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4950 return _IMP_isd.FretRestraint__get_as_binary(self)
4952 def _set_from_binary(self, p):
4953 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4954 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4956 def __getstate__(self):
4957 p = self._get_as_binary()
4958 if len(self.__dict__) > 1:
4959 d = self.__dict__.copy()
4964 def __setstate__(self, p):
4965 if not hasattr(self,
'this'):
4967 if isinstance(p, tuple):
4969 self.__dict__.update(d)
4970 return self._set_from_binary(p)
4974 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4976 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4980 def __init__(self, *args):
4982 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4983 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4985 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4987 def get_closest(self, vec, value):
4988 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4989 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4991 def get_omegas(self, fmods, omega0):
4992 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4993 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4995 def get_nonmarginal_elements(self, fexp, fmods, omega):
4996 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4997 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4999 def get_marginal_elements(self, fmods, omega0):
5000 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
5001 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
5003 def get_omega(self, fmod, omega0):
5004 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5005 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
5007 def get_standard_deviation(self, fmod, omega0):
5008 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5009 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
5011 def get_nonmarginal_element(self, fexp, fmod, omega):
5012 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
5013 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
5015 def get_marginal_element(self, fmod, omega0):
5016 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5017 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
5020 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
5021 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
5022 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
5025 r"""__str__(CysteineCrossLinkData self) -> std::string"""
5026 return _IMP_isd.CysteineCrossLinkData___str__(self)
5029 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
5030 return _IMP_isd.CysteineCrossLinkData___repr__(self)
5034 return _object_cast_to_CysteineCrossLinkData(o)
5037 def _get_as_binary(self):
5038 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
5039 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
5041 def _set_from_binary(self, p):
5042 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
5043 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
5045 def __getstate__(self):
5046 p = self._get_as_binary()
5047 if len(self.__dict__) > 1:
5048 d = self.__dict__.copy()
5053 def __setstate__(self, p):
5054 if not hasattr(self,
'this'):
5056 if isinstance(p, tuple):
5058 self.__dict__.update(d)
5059 return self._set_from_binary(p)
5063 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
5065 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
5067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5069 def __init__(self, *args):
5071 __init__(CrossLinkData self, IMP::Floats dist_grid, IMP::Floats omega_grid, IMP::Floats sigma_grid, double lexp_, double don=std::numeric_limits< double >::max(), double doff=std::numeric_limits< double >::max(), int prior_type=0) -> CrossLinkData
5072 __init__(CrossLinkData self, IMP::Floats dist_grid, IMP::Floats omega_grid, IMP::Floats sigma_grid, IMP::Floats pot_x_grid, IMP::Floats pot_value_grid, double don=std::numeric_limits< double >::max(), double doff=std::numeric_limits< double >::max(), int prior_type=0) -> CrossLinkData
5073 __init__(CrossLinkData self) -> CrossLinkData
5075 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
5077 def get_closest(self, vec, value):
5078 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
5079 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
5081 def get_omegas(self, sigma, dists):
5082 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5083 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
5085 def get_omega_prior(self, omega, omega0):
5086 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
5087 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
5089 def get_nonmarginal_elements(self, sigmai, dists):
5090 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
5091 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
5093 def get_marginal_elements(self, sigma, dists):
5094 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5095 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
5097 def get_marginal_maximum(self, *args):
5099 get_marginal_maximum(CrossLinkData self, double sigma) -> double
5100 get_marginal_maximum(CrossLinkData self) -> double
5102 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
5105 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
5106 return _IMP_isd.CrossLinkData_get_version_info(self)
5107 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
5110 r"""__str__(CrossLinkData self) -> std::string"""
5111 return _IMP_isd.CrossLinkData___str__(self)
5114 r"""__repr__(CrossLinkData self) -> std::string"""
5115 return _IMP_isd.CrossLinkData___repr__(self)
5119 return _object_cast_to_CrossLinkData(o)
5122 def _get_as_binary(self):
5123 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
5124 return _IMP_isd.CrossLinkData__get_as_binary(self)
5126 def _set_from_binary(self, p):
5127 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
5128 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
5130 def __getstate__(self):
5131 p = self._get_as_binary()
5132 if len(self.__dict__) > 1:
5133 d = self.__dict__.copy()
5138 def __setstate__(self, p):
5139 if not hasattr(self,
'this'):
5141 if isinstance(p, tuple):
5143 self.__dict__.update(d)
5144 return self._set_from_binary(p)
5148 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
5150 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
5152 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5154 def __init__(self, *args):
5156 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
5157 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
5158 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
5160 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
5162 def get_probability(self):
5163 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
5164 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
5166 def get_standard_error(self):
5167 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
5168 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
5170 def get_frequencies(self):
5171 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5172 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
5174 def get_model_frequency(self):
5175 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
5176 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
5178 def get_distances(self):
5179 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5180 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
5182 def get_truncated_normalization(self, mean, sigma):
5183 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5184 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5186 def get_normal_pdf(self, mean, sigma, x):
5187 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5188 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5190 def add_contribution(self, *args):
5192 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5193 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5195 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5197 def get_CB_coordinates(self, ps):
5198 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5199 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5201 def get_number_of_contributions(self):
5202 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5203 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5206 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5207 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5210 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5211 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5212 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5215 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5216 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5219 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5220 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5224 return _object_cast_to_CysteineCrossLinkRestraint(o)
5227 def _get_as_binary(self):
5228 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5229 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5231 def _set_from_binary(self, p):
5232 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5233 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5235 def __getstate__(self):
5236 p = self._get_as_binary()
5237 if len(self.__dict__) > 1:
5238 d = self.__dict__.copy()
5243 def __setstate__(self, p):
5244 if not hasattr(self,
'this'):
5246 if isinstance(p, tuple):
5248 self.__dict__.update(d)
5249 return self._set_from_binary(p)
5253 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5255 r"""Proxy of C++ IMP::isd::WeightMover class."""
5257 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5259 def __init__(self, w, radius):
5260 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5261 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5263 def set_radius(self, radius):
5264 r"""set_radius(WeightMover self, IMP::Float radius)"""
5265 return _IMP_isd.WeightMover_set_radius(self, radius)
5267 def get_radius(self):
5268 r"""get_radius(WeightMover self) -> IMP::Float"""
5269 return _IMP_isd.WeightMover_get_radius(self)
5272 r"""get_version_info(WeightMover self) -> VersionInfo"""
5273 return _IMP_isd.WeightMover_get_version_info(self)
5274 __swig_destroy__ = _IMP_isd.delete_WeightMover
5277 r"""__str__(WeightMover self) -> std::string"""
5278 return _IMP_isd.WeightMover___str__(self)
5281 r"""__repr__(WeightMover self) -> std::string"""
5282 return _IMP_isd.WeightMover___repr__(self)
5286 return _object_cast_to_WeightMover(o)
5290 _IMP_isd.WeightMover_swigregister(WeightMover)
5292 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5296 def __init__(self, w, wmin, wmax, kappa):
5297 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5298 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5301 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5302 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5305 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5306 return _IMP_isd.WeightRestraint_get_version_info(self)
5307 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5310 r"""__str__(WeightRestraint self) -> std::string"""
5311 return _IMP_isd.WeightRestraint___str__(self)
5314 r"""__repr__(WeightRestraint self) -> std::string"""
5315 return _IMP_isd.WeightRestraint___repr__(self)
5319 return _object_cast_to_WeightRestraint(o)
5323 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5325 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5327 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5329 def __init__(self, *args):
5331 __init__(AtomicCrossLinkMSRestraint self, Model m, double length, ParticleIndex psi, IMP::Float slope=0.0, bool part_of_log_score=False, std::string name="AtomicCrossLinkMSRestraint%1%") -> AtomicCrossLinkMSRestraint
5332 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5334 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5336 def add_contribution(self, ppi, sigmas):
5337 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5338 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5340 def evaluate_for_contributions(self, c, accum):
5341 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5342 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5344 def get_number_of_contributions(self):
5345 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5346 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5348 def get_contribution(self, i):
5349 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5350 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5352 def get_contribution_sigmas(self, i):
5353 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5354 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5357 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5358 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5361 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5362 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5364 def show(self, out):
5365 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5366 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5368 def set_slope(self, slope):
5369 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5370 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5372 def set_part_of_log_score(self, hey):
5373 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5374 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5377 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5378 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5379 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5382 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5383 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5386 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5387 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5391 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5394 def _get_as_binary(self):
5395 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5396 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5398 def _set_from_binary(self, p):
5399 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5400 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5402 def __getstate__(self):
5403 p = self._get_as_binary()
5404 if len(self.__dict__) > 1:
5405 d = self.__dict__.copy()
5410 def __setstate__(self, p):
5411 if not hasattr(self,
'this'):
5413 if isinstance(p, tuple):
5415 self.__dict__.update(d)
5416 return self._set_from_binary(p)
5420 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5422 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5426 def __init__(self, *args):
5428 __init__(GaussianEMRestraint self, Model mdl, IMP::ParticleIndexes model_ps, IMP::ParticleIndexes density_ps, ParticleIndex global_sigma, IMP::Float model_cutoff_dist, IMP::Float density_cutoff_dist, IMP::Float slope, bool update_model=True, bool backbone_slope=False, bool local=False, std::string name="GaussianEMRestraint%1%") -> GaussianEMRestraint
5429 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5431 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5433 def get_probability(self):
5434 r"""get_probability(GaussianEMRestraint self) -> double"""
5435 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5438 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5439 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5441 def set_density_filename(self, density_fn):
5442 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5443 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5445 def compute_initial_scores(self):
5446 r"""compute_initial_scores(GaussianEMRestraint self)"""
5447 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5449 def set_slope(self, s):
5450 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5451 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5453 def get_slope(self):
5454 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5455 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5458 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5459 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5461 def show(self, out):
5462 r"""show(GaussianEMRestraint self, _ostream out)"""
5463 return _IMP_isd.GaussianEMRestraint_show(self, out)
5466 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5467 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5468 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5471 r"""__str__(GaussianEMRestraint self) -> std::string"""
5472 return _IMP_isd.GaussianEMRestraint___str__(self)
5475 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5476 return _IMP_isd.GaussianEMRestraint___repr__(self)
5480 return _object_cast_to_GaussianEMRestraint(o)
5483 def _get_as_binary(self):
5484 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5485 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5487 def _set_from_binary(self, p):
5488 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5489 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5491 def __getstate__(self):
5492 p = self._get_as_binary()
5493 if len(self.__dict__) > 1:
5494 d = self.__dict__.copy()
5499 def __setstate__(self, p):
5500 if not hasattr(self,
'this'):
5502 if isinstance(p, tuple):
5504 self.__dict__.update(d)
5505 return self._set_from_binary(p)
5509 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5510 class GaussianAnchorEMRestraint(ISDRestraint):
5511 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5515 def __init__(self, *args):
5516 r"""__init__(GaussianAnchorEMRestraint self, IMP::ParticlesTemp model_ps, IMP::Floats model_sigs, IMP::Floats model_weights, IMP::ParticlesTemp density_ps, IMP::Floats density_sigs, IMP::Floats density_weights, Particle global_sigma, IMP::Float cutoff_dist, bool rigid, bool tabexp, std::string name="GaussianAnchorEMRestraint%1%") -> GaussianAnchorEMRestraint"""
5517 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5519 def get_density_particles(self):
5520 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5521 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5522 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5525 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5526 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5529 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5530 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5534 return _object_cast_to_GaussianAnchorEMRestraint(o)
5538 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5540 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5542 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5544 def __init__(self, *args):
5545 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5546 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5548 def evaluate_at(self, val):
5549 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5550 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5553 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5554 return _IMP_isd.GammaPrior_do_get_inputs(self)
5557 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5558 return _IMP_isd.GammaPrior_get_version_info(self)
5559 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5561 def get_probability(self):
5562 r"""get_probability(GammaPrior self) -> double"""
5563 return _IMP_isd.GammaPrior_get_probability(self)
5566 r"""__str__(GammaPrior self) -> std::string"""
5567 return _IMP_isd.GammaPrior___str__(self)
5570 r"""__repr__(GammaPrior self) -> std::string"""
5571 return _IMP_isd.GammaPrior___repr__(self)
5575 return _object_cast_to_GammaPrior(o)
5579 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5581 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5582 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5583 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5585 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5587 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5589 def __init__(self, *args):
5590 r"""__init__(ResidueProteinProximityRestraint self, Model m, double cutoff=6.0, double sigma=3.0, double xi=0.5, bool part_of_log_score=False, std::string name="ResidueProteinProximityRestraint_%1%") -> ResidueProteinProximityRestraint"""
5591 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5593 def add_pairs_container(self, pc):
5594 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5595 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5597 def add_contribution_particles(self, ppis1, ppis2):
5598 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5599 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5601 def evaluate_for_contributions(self, c):
5602 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5603 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5605 def get_number_of_contributions(self):
5606 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5607 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5609 def set_sigma(self, sigma):
5610 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5611 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5613 def set_cutoff(self, cutoff):
5614 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5615 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5617 def set_max_score(self, max_score):
5618 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5619 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5621 def set_yi(self, yi):
5622 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5623 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5625 def set_interpolation_factor(self, interpolation_factor):
5626 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5627 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5629 def set_part_of_log_score(self, hey):
5630 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5631 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5634 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5635 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5638 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5639 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5640 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5643 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5644 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5647 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5648 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5652 return _object_cast_to_ResidueProteinProximityRestraint(o)
5656 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5658 def get_module_name():
5659 r"""get_module_name() -> std::string const"""
5660 return _IMP_isd.get_module_name()
5663 r"""get_module_version() -> std::string const"""
5664 return _IMP_isd.get_module_version()
5667 r"""get_example_path(std::string fname) -> std::string"""
5668 return _IMP_isd.get_example_path(fname)
5671 r"""get_data_path(std::string fname) -> std::string"""
5672 return _IMP_isd.get_data_path(fname)
5674 from .
import _version_check
Abstract class for scoring object(s) of type ParticleIndexPair.
Various classes to hold sets of particles.
static XYZR setup_particle(Model *m, ParticleIndex pi)
static FloatKey get_scale_key()
Make CGAL functionality available to IMP.
virtual void clear_caches()
virtual ModelObjectsTemp do_get_outputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the outputs.
Composable functors to implement scores via compile-time composition.
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
Code to compute statistical measures.
Object used to hold a set of restraints.
Class for storing model, its restraints, constraints, and particles.
ModelObjectsTemp get_inputs(Model *m, const ParticleIndexes &pis) const
Get the ModelObjects read when the given list of particles is used.
virtual void do_destroy()
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
Simple molecular dynamics simulator.
Store a list of ParticleIndexes.
ScoreStates maintain invariants in the Model.
A base class for classes which perturb particles.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Basic utilities for handling cryo-electron microscopy 3D density maps.
double get_cross_correlation_coefficient(Image *im1, Image *im2)
Cross correlation between two images.
Interface to specialized Particle types (e.g. atoms)
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
std::string get_module_version()
Return the version of this module, as a string.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Class to handle individual particles of a Model object.
void set_check_level(CheckLevel l)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
Support for small angle X-ray scattering (SAXS) data.
A restraint is a term in an IMP ScoringFunction.