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)
1095 def _get_contributions_sigma_numpy(rs):
1096 """Get the particle indexes for all sigma nuisances for all
1097 contributions to the given list of restraints."""
1100 nconts = [r.get_number_of_contributions()
for r
in rs]
1101 ret = numpy.empty((sum(nconts), 2), int)
1102 i = itertools.count(0)
1103 for (ncont, r)
in zip(nconts, rs):
1104 for c
in range(ncont):
1105 ret[next(i)] = r.get_contribution_sigma_indexes(c)
1109 def _get_contributions_psi_numpy(rs):
1110 """Get the particle indexes for psi sigma nuisances for all
1111 contributions to the given list of restraints."""
1114 nconts = [r.get_number_of_contributions()
for r
in rs]
1115 ret = numpy.empty(sum(nconts), int)
1116 i = itertools.count(0)
1117 for (ncont, r)
in zip(nconts, rs):
1118 for c
in range(ncont):
1119 ret[next(i)] = r.get_contribution_psi_index(c)
1123 def _get_contributions_particles_numpy(rs):
1124 """Get the particle indexes for crosslink endpoints for all
1125 contributions to the given list of restraints."""
1128 nconts = [r.get_number_of_contributions()
for r
in rs]
1129 ret = numpy.empty((sum(nconts), 2), int)
1130 i = itertools.count(0)
1131 for (ncont, r)
in zip(nconts, rs):
1132 for c
in range(ncont):
1133 ret[next(i)] = r.get_contribution_particle_indexes(c)
1137 def _get_contributions_segments(rs):
1138 """Map each contribution to the corresponding restraint index,
1139 suitable for use by jax.ops.segment_prod()."""
1142 nconts = [r.get_number_of_contributions()
for r
in rs]
1145 if any(n > 1
for n
in nconts):
1147 segment = itertools.count(0)
1148 for ncont
in nconts:
1149 segs.extend([next(segment)] * ncont)
1150 return numpy.array(segs)
1153 def _get_jax_for_restraints(cls, rs, space):
1154 """Get a JAX function that scores the given list of crosslink
1155 restraints. They must all have the same length, slope and
1156 get_log_prob flag."""
1157 import jax.numpy
as jnp
1161 def sphere_cap(r1, r2, d):
1162 short_range = jnp.minimum(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1163 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1164 is_short = d <= jnp.absolute(r1 - r2)
1165 is_long = d >= r1 + r2
1169 safe_d = jnp.where(is_short | is_long, 1., d)
1170 mid_range = ((math.pi / 12 / safe_d * (r1 + r2 - safe_d)
1171 * (r1 + r2 - safe_d)) *
1172 (safe_d * safe_d + 2 * safe_d * r1 - 3 * r1 * r1
1173 + 2 * safe_d * r2 + 6 * r1 * r2 - 3 * r2 * r2))
1174 return jnp.where(is_short, short_range,
1175 jnp.where(is_long, 0., mid_range))
1177 def get_probability(xyz, r, scale, ps, sigma, psi, length,
1178 slope, segments, numrsr):
1187 ps[:, 0] == ps[:, 1], 36.0 / 35.0 * r[ps[:, 0]],
1188 space.distance(xyz[ps[:, 0]] - xyz[ps[:, 1]],
1190 dist = jnp.maximum(dist, 0.0001)
1192 sigmai = scale[sigma[:, 0]]
1193 sigmaj = scale[sigma[:, 1]]
1195 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1196 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1197 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1198 * (length / 2.) * (length / 2.))
1200 close = dist < sigmai + sigmaj
1202 close, jnp.minimum(voli, xlvol),
1203 sphere_cap(sigmai, length / 2.,
1204 jnp.abs(dist - sigmaj - length / 2.)))
1206 close, jnp.minimum(volj, xlvol),
1207 sphere_cap(sigmaj, length / 2.,
1208 jnp.abs(dist - sigmai - length / 2.)))
1210 pofr = fi * fj / voli / volj
1211 term = psi * (1.0 - pofr) + pofr * (1.0 - psi)
1212 if slope
is not None:
1213 prior = jnp.exp(-slope * dist)
1215 onemprob = 1.0 - term
1217 if segments
is None:
1219 return 1.0 - onemprob
1223 return 1.0 - jax.ops.segment_prod(onemprob.T, segments, numrsr,
1224 indices_are_sorted=
True).T
1227 if r.get_is_length_variable():
1228 raise NotImplementedError(
"Only implemented for fixed-length")
1229 sigma = cls._get_contributions_sigma_numpy(rs)
1230 psi = cls._get_contributions_psi_numpy(rs)
1231 pis = cls._get_contributions_particles_numpy(rs)
1232 segments = cls._get_contributions_segments(rs)
1233 get_log_prob = rs[0].get_log_prob()
1234 length = rs[0].get_length()
1235 slope = rs[0].get_slope()
if rs[0].get_has_slope()
else None
1237 def jax_restraint(X):
1238 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1239 sigma, psi, length, slope, segments,
1242 return -jnp.log(prob)
1248 return cls._wrap_jax_multiple(rs[0], jax_restraint,
1251 def _get_jax(self, space):
1252 return self._get_jax_for_restraints([self], space)
1255 def _get_jax_multiple(cls, restraints, space):
1256 import IMP._jax_util
1261 return (
"%.4f" % r.get_length(),
1262 "%.4f" % r.get_slope()
if r.get_has_slope()
else None,
1264 groups, ungrouped = IMP._jax_util.get_grouped_restraints(
1267 return ([cls._get_jax_for_restraints(g, space)
for g
in groups],
1273 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1275 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1279 def __init__(self, *args):
1281 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1282 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1283 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1284 __init__(LogWrapper self) -> LogWrapper
1286 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1288 def do_add_score_and_derivatives(self, sa):
1289 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1290 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1292 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1293 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1294 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1295 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1298 r"""__str__(LogWrapper self) -> std::string"""
1299 return _IMP_isd.LogWrapper___str__(self)
1302 r"""__repr__(LogWrapper self) -> std::string"""
1303 return _IMP_isd.LogWrapper___repr__(self)
1307 return _object_cast_to_LogWrapper(o)
1310 def _get_as_binary(self):
1311 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1312 return _IMP_isd.LogWrapper__get_as_binary(self)
1314 def _set_from_binary(self, p):
1315 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1316 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1318 def __getstate__(self):
1319 p = self._get_as_binary()
1320 if len(self.__dict__) > 1:
1321 d = self.__dict__.copy()
1326 def __setstate__(self, p):
1327 if not hasattr(self,
'this'):
1329 if isinstance(p, tuple):
1331 self.__dict__.update(d)
1332 return self._set_from_binary(p)
1335 def _get_jax(self, space):
1336 import jax.numpy
as jnp
1337 import IMP._jax_util
1338 restraints = [r.get_derived_object()
for r
in self.restraints]
1339 multi_funcs, funcs, keys = IMP._jax_util.get_restraints_jax_funcs_keys(
1342 rets = [f(jm)
for f
in multi_funcs]
1344 rets.append(jnp.stack([f(jm)
for f
in funcs], axis=-1))
1345 scores = jnp.concatenate(rets, axis=-1)
1346 return -jnp.sum(jnp.log(scores), axis=-1)
1347 return self._wrap_jax(jax_sf, keys=keys)
1351 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1353 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1357 def __init__(self, *args):
1359 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1360 __init__(UniformPrior self) -> UniformPrior
1362 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1365 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1366 return _IMP_isd.UniformPrior_do_get_inputs(self)
1369 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1370 return _IMP_isd.UniformPrior_get_version_info(self)
1371 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1373 def get_probability(self):
1374 r"""get_probability(UniformPrior self) -> double"""
1375 return _IMP_isd.UniformPrior_get_probability(self)
1377 def get_range(self):
1378 r"""get_range(UniformPrior self) -> IMP::FloatRange"""
1379 return _IMP_isd.UniformPrior_get_range(self)
1382 r"""get_k(UniformPrior self) -> double"""
1383 return _IMP_isd.UniformPrior_get_k(self)
1386 r"""get_index(UniformPrior self) -> ParticleIndex"""
1387 return _IMP_isd.UniformPrior_get_index(self)
1390 r"""__str__(UniformPrior self) -> std::string"""
1391 return _IMP_isd.UniformPrior___str__(self)
1394 r"""__repr__(UniformPrior self) -> std::string"""
1395 return _IMP_isd.UniformPrior___repr__(self)
1399 return _object_cast_to_UniformPrior(o)
1402 def _get_as_binary(self):
1403 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1404 return _IMP_isd.UniformPrior__get_as_binary(self)
1406 def _set_from_binary(self, p):
1407 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1408 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1410 def __getstate__(self):
1411 p = self._get_as_binary()
1412 if len(self.__dict__) > 1:
1413 d = self.__dict__.copy()
1418 def __setstate__(self, p):
1419 if not hasattr(self,
'this'):
1421 if isinstance(p, tuple):
1423 self.__dict__.update(d)
1424 return self._set_from_binary(p)
1427 def _get_jax(self, space):
1428 import jax.numpy
as jnp
1429 def score(jm, lb, ub, k, index):
1430 nuisance = jm[
'nuisance'][index]
1431 return 0.5 * k * (nuisance - jnp.clip(nuisance, lb, ub)) ** 2
1432 rng = self.get_range()
1433 f = functools.partial(score, lb=rng[0], ub=rng[1], k=self.get_k(),
1434 index=self.get_index())
1435 return self._wrap_jax(f, keys=[Scale.get_scale_key()])
1439 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1441 r"""Proxy of C++ IMP::isd::Nuisance class."""
1443 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1445 def __init__(self, *args):
1447 __init__(Nuisance self) -> Nuisance
1448 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1449 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1451 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1453 def show(self, *args):
1454 r"""show(Nuisance self, _ostream out=std::cout)"""
1455 return _IMP_isd.Nuisance_show(self, *args)
1458 def setup_particle(*args):
1460 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1461 setup_particle(_ParticleAdaptor pa) -> Nuisance
1462 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1463 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1465 return _IMP_isd.Nuisance_setup_particle(*args)
1468 def get_is_setup(*args):
1470 get_is_setup(_ParticleAdaptor p) -> bool
1471 get_is_setup(Model m, ParticleIndex pi) -> bool
1473 return _IMP_isd.Nuisance_get_is_setup(*args)
1476 def get_nuisance_key():
1477 r"""get_nuisance_key() -> FloatKey"""
1478 return _IMP_isd.Nuisance_get_nuisance_key()
1480 def get_nuisance(self):
1481 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1482 return _IMP_isd.Nuisance_get_nuisance(self)
1484 def set_nuisance(self, d):
1485 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1486 return _IMP_isd.Nuisance_set_nuisance(self, d)
1488 def get_has_lower(self):
1489 r"""get_has_lower(Nuisance self) -> bool"""
1490 return _IMP_isd.Nuisance_get_has_lower(self)
1492 def get_has_lower_float(self):
1493 r"""get_has_lower_float(Nuisance self) -> bool"""
1494 return _IMP_isd.Nuisance_get_has_lower_float(self)
1496 def get_has_lower_particle(self):
1497 r"""get_has_lower_particle(Nuisance self) -> bool"""
1498 return _IMP_isd.Nuisance_get_has_lower_particle(self)
1500 def get_lower(self):
1501 r"""get_lower(Nuisance self) -> IMP::Float"""
1502 return _IMP_isd.Nuisance_get_lower(self)
1505 def get_lower_key():
1506 r"""get_lower_key() -> FloatKey"""
1507 return _IMP_isd.Nuisance_get_lower_key()
1510 def get_lower_particle_key():
1511 r"""get_lower_particle_key() -> ParticleIndexKey"""
1512 return _IMP_isd.Nuisance_get_lower_particle_key()
1514 def set_lower(self, *args):
1516 set_lower(Nuisance self, IMP::Float d)
1517 set_lower(Nuisance self, Particle d)
1519 return _IMP_isd.Nuisance_set_lower(self, *args)
1521 def remove_lower(self):
1522 r"""remove_lower(Nuisance self)"""
1523 return _IMP_isd.Nuisance_remove_lower(self)
1525 def get_has_upper(self):
1526 r"""get_has_upper(Nuisance self) -> bool"""
1527 return _IMP_isd.Nuisance_get_has_upper(self)
1529 def get_has_upper_float(self):
1530 r"""get_has_upper_float(Nuisance self) -> bool"""
1531 return _IMP_isd.Nuisance_get_has_upper_float(self)
1533 def get_has_upper_particle(self):
1534 r"""get_has_upper_particle(Nuisance self) -> bool"""
1535 return _IMP_isd.Nuisance_get_has_upper_particle(self)
1537 def get_upper(self):
1538 r"""get_upper(Nuisance self) -> IMP::Float"""
1539 return _IMP_isd.Nuisance_get_upper(self)
1542 def get_upper_key():
1543 r"""get_upper_key() -> FloatKey"""
1544 return _IMP_isd.Nuisance_get_upper_key()
1547 def get_upper_particle_key():
1548 r"""get_upper_particle_key() -> ParticleIndexKey"""
1549 return _IMP_isd.Nuisance_get_upper_particle_key()
1551 def set_upper(self, *args):
1553 set_upper(Nuisance self, IMP::Float d)
1554 set_upper(Nuisance self, Particle d)
1556 return _IMP_isd.Nuisance_set_upper(self, *args)
1558 def remove_upper(self):
1559 r"""remove_upper(Nuisance self)"""
1560 return _IMP_isd.Nuisance_remove_upper(self)
1562 def get_nuisance_derivative(self):
1563 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1564 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1566 def add_to_nuisance_derivative(self, d, accum):
1567 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1568 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1570 def get_nuisance_is_optimized(self):
1571 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1572 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1574 def set_nuisance_is_optimized(self, val):
1575 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1576 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1578 def add_attribute(self, *args):
1580 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1581 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1582 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1583 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1584 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1585 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1586 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1587 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1588 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1589 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1590 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1591 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1593 return _IMP_isd.Nuisance_add_attribute(self, *args)
1595 def get_value(self, *args):
1597 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1598 get_value(Nuisance self, IntKey a0) -> IMP::Int
1599 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1600 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1601 get_value(Nuisance self, StringKey a0) -> IMP::String
1602 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1603 get_value(Nuisance self, ObjectKey a0) -> Object
1604 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1605 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1606 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1607 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1609 return _IMP_isd.Nuisance_get_value(self, *args)
1611 def set_value(self, *args):
1613 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1614 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1615 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1616 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1617 set_value(Nuisance self, StringKey a0, IMP::String a1)
1618 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1619 set_value(Nuisance self, ObjectKey a0, Object a1)
1620 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1621 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1622 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1623 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1625 return _IMP_isd.Nuisance_set_value(self, *args)
1627 def remove_attribute(self, *args):
1629 remove_attribute(Nuisance self, FloatKey a0)
1630 remove_attribute(Nuisance self, IntKey a0)
1631 remove_attribute(Nuisance self, FloatsKey a0)
1632 remove_attribute(Nuisance self, IntsKey a0)
1633 remove_attribute(Nuisance self, StringKey a0)
1634 remove_attribute(Nuisance self, ParticleIndexKey a0)
1635 remove_attribute(Nuisance self, ObjectKey a0)
1636 remove_attribute(Nuisance self, SparseFloatKey a0)
1637 remove_attribute(Nuisance self, SparseIntKey a0)
1638 remove_attribute(Nuisance self, SparseStringKey a0)
1639 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1641 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1643 def has_attribute(self, *args):
1645 has_attribute(Nuisance self, FloatKey a0) -> bool
1646 has_attribute(Nuisance self, IntKey a0) -> bool
1647 has_attribute(Nuisance self, FloatsKey a0) -> bool
1648 has_attribute(Nuisance self, IntsKey a0) -> bool
1649 has_attribute(Nuisance self, StringKey a0) -> bool
1650 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1651 has_attribute(Nuisance self, ObjectKey a0) -> bool
1652 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1653 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1654 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1655 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1657 return _IMP_isd.Nuisance_has_attribute(self, *args)
1659 def get_derivative(self, a0):
1660 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1661 return _IMP_isd.Nuisance_get_derivative(self, a0)
1664 r"""get_name(Nuisance self) -> std::string"""
1665 return _IMP_isd.Nuisance_get_name(self)
1668 r"""clear_caches(Nuisance self)"""
1669 return _IMP_isd.Nuisance_clear_caches(self)
1671 def set_name(self, a0):
1672 r"""set_name(Nuisance self, std::string a0)"""
1673 return _IMP_isd.Nuisance_set_name(self, a0)
1676 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1677 return _IMP_isd.Nuisance_set_check_level(self, a0)
1679 def add_to_derivative(self, a0, a1, a2):
1680 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1681 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1683 def set_is_optimized(self, a0, a1):
1684 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1685 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1687 def get_is_optimized(self, a0):
1688 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1689 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1691 def get_check_level(self):
1692 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1693 return _IMP_isd.Nuisance_get_check_level(self)
1695 def __eq__(self, *args):
1697 __eq__(Nuisance self, Nuisance o) -> bool
1698 __eq__(Nuisance self, Particle d) -> bool
1700 return _IMP_isd.Nuisance___eq__(self, *args)
1702 def __ne__(self, *args):
1704 __ne__(Nuisance self, Nuisance o) -> bool
1705 __ne__(Nuisance self, Particle d) -> bool
1707 return _IMP_isd.Nuisance___ne__(self, *args)
1709 def __le__(self, *args):
1711 __le__(Nuisance self, Nuisance o) -> bool
1712 __le__(Nuisance self, Particle d) -> bool
1714 return _IMP_isd.Nuisance___le__(self, *args)
1716 def __lt__(self, *args):
1718 __lt__(Nuisance self, Nuisance o) -> bool
1719 __lt__(Nuisance self, Particle d) -> bool
1721 return _IMP_isd.Nuisance___lt__(self, *args)
1723 def __ge__(self, *args):
1725 __ge__(Nuisance self, Nuisance o) -> bool
1726 __ge__(Nuisance self, Particle d) -> bool
1728 return _IMP_isd.Nuisance___ge__(self, *args)
1730 def __gt__(self, *args):
1732 __gt__(Nuisance self, Nuisance o) -> bool
1733 __gt__(Nuisance self, Particle d) -> bool
1735 return _IMP_isd.Nuisance___gt__(self, *args)
1738 r"""__hash__(Nuisance self) -> std::size_t"""
1739 return _IMP_isd.Nuisance___hash__(self)
1742 r"""__str__(Nuisance self) -> std::string"""
1743 return _IMP_isd.Nuisance___str__(self)
1746 r"""__repr__(Nuisance self) -> std::string"""
1747 return _IMP_isd.Nuisance___repr__(self)
1749 def _get_as_binary(self):
1750 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1751 return _IMP_isd.Nuisance__get_as_binary(self)
1753 def _set_from_binary(self, p):
1754 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1755 return _IMP_isd.Nuisance__set_from_binary(self, p)
1757 def __getstate__(self):
1758 p = self._get_as_binary()
1759 if len(self.__dict__) > 1:
1760 d = self.__dict__.copy()
1765 def __setstate__(self, p):
1766 if not hasattr(self,
'this'):
1768 if isinstance(p, tuple):
1770 self.__dict__.update(d)
1771 return self._set_from_binary(p)
1773 __swig_destroy__ = _IMP_isd.delete_Nuisance
1776 _IMP_isd.Nuisance_swigregister(Nuisance)
1778 r"""Proxy of C++ IMP::isd::NuisanceScoreState class."""
1780 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1782 def __init__(self, *args):
1784 __init__(NuisanceScoreState self, Particle p) -> NuisanceScoreState
1785 __init__(NuisanceScoreState self) -> NuisanceScoreState
1787 _IMP_isd.NuisanceScoreState_swiginit(self, _IMP_isd.new_NuisanceScoreState(*args))
1790 r"""get_index(NuisanceScoreState self) -> ParticleIndex"""
1791 return _IMP_isd.NuisanceScoreState_get_index(self)
1793 def do_before_evaluate(self):
1794 r"""do_before_evaluate(NuisanceScoreState self)"""
1795 return _IMP_isd.NuisanceScoreState_do_before_evaluate(self)
1797 def do_after_evaluate(self, da):
1798 r"""do_after_evaluate(NuisanceScoreState self, DerivativeAccumulator da)"""
1799 return _IMP_isd.NuisanceScoreState_do_after_evaluate(self, da)
1802 r"""do_get_inputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1803 return _IMP_isd.NuisanceScoreState_do_get_inputs(self)
1806 r"""do_get_outputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1807 return _IMP_isd.NuisanceScoreState_do_get_outputs(self)
1810 r"""get_version_info(NuisanceScoreState self) -> VersionInfo"""
1811 return _IMP_isd.NuisanceScoreState_get_version_info(self)
1812 __swig_destroy__ = _IMP_isd.delete_NuisanceScoreState
1815 r"""__str__(NuisanceScoreState self) -> std::string"""
1816 return _IMP_isd.NuisanceScoreState___str__(self)
1819 r"""__repr__(NuisanceScoreState self) -> std::string"""
1820 return _IMP_isd.NuisanceScoreState___repr__(self)
1824 return _object_cast_to_NuisanceScoreState(o)
1827 def _get_as_binary(self):
1828 r"""_get_as_binary(NuisanceScoreState self) -> PyObject *"""
1829 return _IMP_isd.NuisanceScoreState__get_as_binary(self)
1831 def _set_from_binary(self, p):
1832 r"""_set_from_binary(NuisanceScoreState self, PyObject * p)"""
1833 return _IMP_isd.NuisanceScoreState__set_from_binary(self, p)
1835 def __getstate__(self):
1836 p = self._get_as_binary()
1837 if len(self.__dict__) > 1:
1838 d = self.__dict__.copy()
1843 def __setstate__(self, p):
1844 if not hasattr(self,
'this'):
1846 if isinstance(p, tuple):
1848 self.__dict__.update(d)
1849 return self._set_from_binary(p)
1855 import jax.numpy
as jnp
1856 import IMP._jax_util
1857 def apply_func(jm, index, upper_f, upper_p, lower_f, lower_p):
1858 nuisances = jm[
'nuisance']
1859 up = jm[
'upper'][index]
if upper_f
else math.inf
1861 up = jax.lax.min(up, nuisances[jm[
'p_upper'][index]])
1862 low = jm[
'lower'][index]
if lower_f
else -math.inf
1864 low = jax.lax.max(low, nuisances[jm[
'p_lower'][index]])
1865 jm[
'nuisance'] = jm[
'nuisance'].at[index].set(
1866 jnp.clip(nuisances[index], low, up))
1868 p = self.get_index()
1869 m = self.get_model()
1871 upper_f, upper_p = n.get_has_upper_float(), n.get_has_upper_particle()
1872 lower_f, lower_p = n.get_has_lower_float(), n.get_has_lower_particle()
1873 if upper_p
or lower_p:
1877 keys = [IMP._jax_util._DenseKey(n.get_nuisance_key())]
1879 keys = [n.get_nuisance_key()]
1881 keys.append(n.get_upper_key())
1883 keys.append(n.get_upper_particle_key())
1885 keys.append(n.get_lower_key())
1887 keys.append(n.get_lower_particle_key())
1888 f = functools.partial(apply_func, index=p, upper_f=upper_f,
1889 upper_p=upper_p, lower_f=lower_f,
1891 return self._wrap_jax(f, keys)
1895 _IMP_isd.NuisanceScoreState_swigregister(NuisanceScoreState)
1896 class Scale(Nuisance):
1897 r"""Proxy of C++ IMP::isd::Scale class."""
1899 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1901 def __init__(self, *args):
1903 __init__(Scale self) -> Scale
1904 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1905 __init__(Scale self, _ParticleAdaptor d) -> Scale
1907 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1909 def show(self, *args):
1910 r"""show(Scale self, _ostream out=std::cout)"""
1911 return _IMP_isd.Scale_show(self, *args)
1914 def setup_particle(*args):
1916 setup_particle(Model m, ParticleIndex pi) -> Scale
1917 setup_particle(_ParticleAdaptor pa) -> Scale
1918 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1919 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1921 return _IMP_isd.Scale_setup_particle(*args)
1924 def get_is_setup(*args):
1926 get_is_setup(_ParticleAdaptor p) -> bool
1927 get_is_setup(Model m, ParticleIndex pi) -> bool
1929 return _IMP_isd.Scale_get_is_setup(*args)
1931 def get_scale(self):
1932 r"""get_scale(Scale self) -> IMP::Float"""
1933 return _IMP_isd.Scale_get_scale(self)
1935 def set_scale(self, d):
1936 r"""set_scale(Scale self, IMP::Float d)"""
1937 return _IMP_isd.Scale_set_scale(self, d)
1939 def add_to_scale_derivative(self, d, accum):
1940 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1941 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1943 def get_scale_derivative(self):
1944 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1945 return _IMP_isd.Scale_get_scale_derivative(self)
1948 def get_scale_key():
1949 r"""get_scale_key() -> FloatKey"""
1950 return _IMP_isd.Scale_get_scale_key()
1952 def get_scale_is_optimized(self):
1953 r"""get_scale_is_optimized(Scale self) -> bool"""
1954 return _IMP_isd.Scale_get_scale_is_optimized(self)
1956 def set_scale_is_optimized(self, val):
1957 r"""set_scale_is_optimized(Scale self, bool val)"""
1958 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1960 def add_attribute(self, *args):
1962 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1963 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1964 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1965 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1966 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1967 add_attribute(Scale self, StringKey a0, IMP::String a1)
1968 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1969 add_attribute(Scale self, ObjectKey a0, Object a1)
1970 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1971 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1972 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1973 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1975 return _IMP_isd.Scale_add_attribute(self, *args)
1977 def get_value(self, *args):
1979 get_value(Scale self, FloatKey a0) -> IMP::Float
1980 get_value(Scale self, IntKey a0) -> IMP::Int
1981 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1982 get_value(Scale self, IntsKey a0) -> IMP::Ints
1983 get_value(Scale self, StringKey a0) -> IMP::String
1984 get_value(Scale self, ParticleIndexKey a0) -> Particle
1985 get_value(Scale self, ObjectKey a0) -> Object
1986 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1987 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1988 get_value(Scale self, SparseStringKey a0) -> IMP::String
1989 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1991 return _IMP_isd.Scale_get_value(self, *args)
1993 def set_value(self, *args):
1995 set_value(Scale self, FloatKey a0, IMP::Float a1)
1996 set_value(Scale self, IntKey a0, IMP::Int a1)
1997 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1998 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1999 set_value(Scale self, StringKey a0, IMP::String a1)
2000 set_value(Scale self, ParticleIndexKey a0, Particle a1)
2001 set_value(Scale self, ObjectKey a0, Object a1)
2002 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
2003 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
2004 set_value(Scale self, SparseStringKey a0, IMP::String a1)
2005 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
2007 return _IMP_isd.Scale_set_value(self, *args)
2009 def remove_attribute(self, *args):
2011 remove_attribute(Scale self, FloatKey a0)
2012 remove_attribute(Scale self, IntKey a0)
2013 remove_attribute(Scale self, FloatsKey a0)
2014 remove_attribute(Scale self, IntsKey a0)
2015 remove_attribute(Scale self, StringKey a0)
2016 remove_attribute(Scale self, ParticleIndexKey a0)
2017 remove_attribute(Scale self, ObjectKey a0)
2018 remove_attribute(Scale self, SparseFloatKey a0)
2019 remove_attribute(Scale self, SparseIntKey a0)
2020 remove_attribute(Scale self, SparseStringKey a0)
2021 remove_attribute(Scale self, SparseParticleIndexKey a0)
2023 return _IMP_isd.Scale_remove_attribute(self, *args)
2025 def has_attribute(self, *args):
2027 has_attribute(Scale self, FloatKey a0) -> bool
2028 has_attribute(Scale self, IntKey a0) -> bool
2029 has_attribute(Scale self, FloatsKey a0) -> bool
2030 has_attribute(Scale self, IntsKey a0) -> bool
2031 has_attribute(Scale self, StringKey a0) -> bool
2032 has_attribute(Scale self, ParticleIndexKey a0) -> bool
2033 has_attribute(Scale self, ObjectKey a0) -> bool
2034 has_attribute(Scale self, SparseFloatKey a0) -> bool
2035 has_attribute(Scale self, SparseIntKey a0) -> bool
2036 has_attribute(Scale self, SparseStringKey a0) -> bool
2037 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
2039 return _IMP_isd.Scale_has_attribute(self, *args)
2041 def get_derivative(self, a0):
2042 r"""get_derivative(Scale self, FloatKey a0) -> double"""
2043 return _IMP_isd.Scale_get_derivative(self, a0)
2046 r"""get_name(Scale self) -> std::string"""
2047 return _IMP_isd.Scale_get_name(self)
2050 r"""clear_caches(Scale self)"""
2051 return _IMP_isd.Scale_clear_caches(self)
2053 def set_name(self, a0):
2054 r"""set_name(Scale self, std::string a0)"""
2055 return _IMP_isd.Scale_set_name(self, a0)
2058 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
2059 return _IMP_isd.Scale_set_check_level(self, a0)
2061 def add_to_derivative(self, a0, a1, a2):
2062 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2063 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
2065 def set_is_optimized(self, a0, a1):
2066 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
2067 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
2069 def get_is_optimized(self, a0):
2070 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
2071 return _IMP_isd.Scale_get_is_optimized(self, a0)
2073 def get_check_level(self):
2074 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
2075 return _IMP_isd.Scale_get_check_level(self)
2077 def __eq__(self, *args):
2079 __eq__(Scale self, Scale o) -> bool
2080 __eq__(Scale self, Particle d) -> bool
2082 return _IMP_isd.Scale___eq__(self, *args)
2084 def __ne__(self, *args):
2086 __ne__(Scale self, Scale o) -> bool
2087 __ne__(Scale self, Particle d) -> bool
2089 return _IMP_isd.Scale___ne__(self, *args)
2091 def __le__(self, *args):
2093 __le__(Scale self, Scale o) -> bool
2094 __le__(Scale self, Particle d) -> bool
2096 return _IMP_isd.Scale___le__(self, *args)
2098 def __lt__(self, *args):
2100 __lt__(Scale self, Scale o) -> bool
2101 __lt__(Scale self, Particle d) -> bool
2103 return _IMP_isd.Scale___lt__(self, *args)
2105 def __ge__(self, *args):
2107 __ge__(Scale self, Scale o) -> bool
2108 __ge__(Scale self, Particle d) -> bool
2110 return _IMP_isd.Scale___ge__(self, *args)
2112 def __gt__(self, *args):
2114 __gt__(Scale self, Scale o) -> bool
2115 __gt__(Scale self, Particle d) -> bool
2117 return _IMP_isd.Scale___gt__(self, *args)
2120 r"""__hash__(Scale self) -> std::size_t"""
2121 return _IMP_isd.Scale___hash__(self)
2124 r"""__str__(Scale self) -> std::string"""
2125 return _IMP_isd.Scale___str__(self)
2128 r"""__repr__(Scale self) -> std::string"""
2129 return _IMP_isd.Scale___repr__(self)
2131 def _get_as_binary(self):
2132 r"""_get_as_binary(Scale self) -> PyObject *"""
2133 return _IMP_isd.Scale__get_as_binary(self)
2135 def _set_from_binary(self, p):
2136 r"""_set_from_binary(Scale self, PyObject * p)"""
2137 return _IMP_isd.Scale__set_from_binary(self, p)
2139 def __getstate__(self):
2140 p = self._get_as_binary()
2141 if len(self.__dict__) > 1:
2142 d = self.__dict__.copy()
2147 def __setstate__(self, p):
2148 if not hasattr(self,
'this'):
2150 if isinstance(p, tuple):
2152 self.__dict__.update(d)
2153 return self._set_from_binary(p)
2155 __swig_destroy__ = _IMP_isd.delete_Scale
2158 _IMP_isd.Scale_swigregister(Scale)
2159 class Switching(Nuisance):
2160 r"""Proxy of C++ IMP::isd::Switching class."""
2162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2164 def __init__(self, *args):
2166 __init__(Switching self) -> Switching
2167 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2168 __init__(Switching self, _ParticleAdaptor d) -> Switching
2170 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2172 def show(self, *args):
2173 r"""show(Switching self, _ostream out=std::cout)"""
2174 return _IMP_isd.Switching_show(self, *args)
2177 def setup_particle(*args):
2179 setup_particle(Model m, ParticleIndex pi) -> Switching
2180 setup_particle(_ParticleAdaptor pa) -> Switching
2181 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2182 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2184 return _IMP_isd.Switching_setup_particle(*args)
2187 def get_is_setup(*args):
2189 get_is_setup(_ParticleAdaptor p) -> bool
2190 get_is_setup(Model m, ParticleIndex pi) -> bool
2192 return _IMP_isd.Switching_get_is_setup(*args)
2194 def get_switching(self):
2195 r"""get_switching(Switching self) -> IMP::Float"""
2196 return _IMP_isd.Switching_get_switching(self)
2198 def set_switching(self, d):
2199 r"""set_switching(Switching self, IMP::Float d)"""
2200 return _IMP_isd.Switching_set_switching(self, d)
2202 def add_to_switching_derivative(self, d, accum):
2203 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2204 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2206 def get_switching_derivative(self):
2207 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2208 return _IMP_isd.Switching_get_switching_derivative(self)
2211 def get_switching_key():
2212 r"""get_switching_key() -> FloatKey"""
2213 return _IMP_isd.Switching_get_switching_key()
2215 def get_switching_is_optimized(self):
2216 r"""get_switching_is_optimized(Switching self) -> bool"""
2217 return _IMP_isd.Switching_get_switching_is_optimized(self)
2219 def set_switching_is_optimized(self, val):
2220 r"""set_switching_is_optimized(Switching self, bool val)"""
2221 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2223 def add_attribute(self, *args):
2225 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2226 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2227 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2228 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2229 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2230 add_attribute(Switching self, StringKey a0, IMP::String a1)
2231 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2232 add_attribute(Switching self, ObjectKey a0, Object a1)
2233 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2234 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2235 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2236 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2238 return _IMP_isd.Switching_add_attribute(self, *args)
2240 def get_value(self, *args):
2242 get_value(Switching self, FloatKey a0) -> IMP::Float
2243 get_value(Switching self, IntKey a0) -> IMP::Int
2244 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2245 get_value(Switching self, IntsKey a0) -> IMP::Ints
2246 get_value(Switching self, StringKey a0) -> IMP::String
2247 get_value(Switching self, ParticleIndexKey a0) -> Particle
2248 get_value(Switching self, ObjectKey a0) -> Object
2249 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2250 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2251 get_value(Switching self, SparseStringKey a0) -> IMP::String
2252 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2254 return _IMP_isd.Switching_get_value(self, *args)
2256 def set_value(self, *args):
2258 set_value(Switching self, FloatKey a0, IMP::Float a1)
2259 set_value(Switching self, IntKey a0, IMP::Int a1)
2260 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2261 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2262 set_value(Switching self, StringKey a0, IMP::String a1)
2263 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2264 set_value(Switching self, ObjectKey a0, Object a1)
2265 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2266 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2267 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2268 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2270 return _IMP_isd.Switching_set_value(self, *args)
2272 def remove_attribute(self, *args):
2274 remove_attribute(Switching self, FloatKey a0)
2275 remove_attribute(Switching self, IntKey a0)
2276 remove_attribute(Switching self, FloatsKey a0)
2277 remove_attribute(Switching self, IntsKey a0)
2278 remove_attribute(Switching self, StringKey a0)
2279 remove_attribute(Switching self, ParticleIndexKey a0)
2280 remove_attribute(Switching self, ObjectKey a0)
2281 remove_attribute(Switching self, SparseFloatKey a0)
2282 remove_attribute(Switching self, SparseIntKey a0)
2283 remove_attribute(Switching self, SparseStringKey a0)
2284 remove_attribute(Switching self, SparseParticleIndexKey a0)
2286 return _IMP_isd.Switching_remove_attribute(self, *args)
2288 def has_attribute(self, *args):
2290 has_attribute(Switching self, FloatKey a0) -> bool
2291 has_attribute(Switching self, IntKey a0) -> bool
2292 has_attribute(Switching self, FloatsKey a0) -> bool
2293 has_attribute(Switching self, IntsKey a0) -> bool
2294 has_attribute(Switching self, StringKey a0) -> bool
2295 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2296 has_attribute(Switching self, ObjectKey a0) -> bool
2297 has_attribute(Switching self, SparseFloatKey a0) -> bool
2298 has_attribute(Switching self, SparseIntKey a0) -> bool
2299 has_attribute(Switching self, SparseStringKey a0) -> bool
2300 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2302 return _IMP_isd.Switching_has_attribute(self, *args)
2304 def get_derivative(self, a0):
2305 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2306 return _IMP_isd.Switching_get_derivative(self, a0)
2309 r"""get_name(Switching self) -> std::string"""
2310 return _IMP_isd.Switching_get_name(self)
2313 r"""clear_caches(Switching self)"""
2314 return _IMP_isd.Switching_clear_caches(self)
2316 def set_name(self, a0):
2317 r"""set_name(Switching self, std::string a0)"""
2318 return _IMP_isd.Switching_set_name(self, a0)
2321 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2322 return _IMP_isd.Switching_set_check_level(self, a0)
2324 def add_to_derivative(self, a0, a1, a2):
2325 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2326 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2328 def set_is_optimized(self, a0, a1):
2329 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2330 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2332 def get_is_optimized(self, a0):
2333 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2334 return _IMP_isd.Switching_get_is_optimized(self, a0)
2336 def get_check_level(self):
2337 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2338 return _IMP_isd.Switching_get_check_level(self)
2340 def __eq__(self, *args):
2342 __eq__(Switching self, Switching o) -> bool
2343 __eq__(Switching self, Particle d) -> bool
2345 return _IMP_isd.Switching___eq__(self, *args)
2347 def __ne__(self, *args):
2349 __ne__(Switching self, Switching o) -> bool
2350 __ne__(Switching self, Particle d) -> bool
2352 return _IMP_isd.Switching___ne__(self, *args)
2354 def __le__(self, *args):
2356 __le__(Switching self, Switching o) -> bool
2357 __le__(Switching self, Particle d) -> bool
2359 return _IMP_isd.Switching___le__(self, *args)
2361 def __lt__(self, *args):
2363 __lt__(Switching self, Switching o) -> bool
2364 __lt__(Switching self, Particle d) -> bool
2366 return _IMP_isd.Switching___lt__(self, *args)
2368 def __ge__(self, *args):
2370 __ge__(Switching self, Switching o) -> bool
2371 __ge__(Switching self, Particle d) -> bool
2373 return _IMP_isd.Switching___ge__(self, *args)
2375 def __gt__(self, *args):
2377 __gt__(Switching self, Switching o) -> bool
2378 __gt__(Switching self, Particle d) -> bool
2380 return _IMP_isd.Switching___gt__(self, *args)
2383 r"""__hash__(Switching self) -> std::size_t"""
2384 return _IMP_isd.Switching___hash__(self)
2387 r"""__str__(Switching self) -> std::string"""
2388 return _IMP_isd.Switching___str__(self)
2391 r"""__repr__(Switching self) -> std::string"""
2392 return _IMP_isd.Switching___repr__(self)
2394 def _get_as_binary(self):
2395 r"""_get_as_binary(Switching self) -> PyObject *"""
2396 return _IMP_isd.Switching__get_as_binary(self)
2398 def _set_from_binary(self, p):
2399 r"""_set_from_binary(Switching self, PyObject * p)"""
2400 return _IMP_isd.Switching__set_from_binary(self, p)
2402 def __getstate__(self):
2403 p = self._get_as_binary()
2404 if len(self.__dict__) > 1:
2405 d = self.__dict__.copy()
2410 def __setstate__(self, p):
2411 if not hasattr(self,
'this'):
2413 if isinstance(p, tuple):
2415 self.__dict__.update(d)
2416 return self._set_from_binary(p)
2418 __swig_destroy__ = _IMP_isd.delete_Switching
2421 _IMP_isd.Switching_swigregister(Switching)
2423 r"""Proxy of C++ IMP::isd::Weight class."""
2425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2427 def __init__(self, *args):
2429 __init__(Weight self) -> Weight
2430 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2431 __init__(Weight self, _ParticleAdaptor d) -> Weight
2433 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2435 def show(self, *args):
2436 r"""show(Weight self, _ostream out=std::cout)"""
2437 return _IMP_isd.Weight_show(self, *args)
2440 def setup_particle(*args):
2442 setup_particle(Model m, ParticleIndex pi) -> Weight
2443 setup_particle(_ParticleAdaptor pa) -> Weight
2444 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2445 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2446 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2447 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2449 return _IMP_isd.Weight_setup_particle(*args)
2452 def get_number_of_weights_key():
2453 r"""get_number_of_weights_key() -> IntKey"""
2454 return _IMP_isd.Weight_get_number_of_weights_key()
2457 def get_weight_key(i):
2458 r"""get_weight_key(int i) -> FloatKey"""
2459 return _IMP_isd.Weight_get_weight_key(i)
2461 def get_weight_keys(self):
2462 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2463 return _IMP_isd.Weight_get_weight_keys(self)
2465 def get_weight(self, i):
2466 r"""get_weight(Weight self, int i) -> IMP::Float"""
2467 return _IMP_isd.Weight_get_weight(self, i)
2469 def get_weights(self):
2470 r"""get_weights(Weight self) -> VectorKD"""
2471 return _IMP_isd.Weight_get_weights(self)
2473 def set_weight_lazy(self, i, wi):
2474 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2475 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2477 def set_weights_lazy(self, w):
2478 r"""set_weights_lazy(Weight self, VectorKD w)"""
2479 return _IMP_isd.Weight_set_weights_lazy(self, w)
2481 def set_weights(self, w):
2482 r"""set_weights(Weight self, VectorKD w)"""
2483 return _IMP_isd.Weight_set_weights(self, w)
2485 def get_weights_are_optimized(self):
2486 r"""get_weights_are_optimized(Weight self) -> bool"""
2487 return _IMP_isd.Weight_get_weights_are_optimized(self)
2489 def set_weights_are_optimized(self, tf):
2490 r"""set_weights_are_optimized(Weight self, bool tf)"""
2491 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2493 def get_weight_derivative(self, i):
2494 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2495 return _IMP_isd.Weight_get_weight_derivative(self, i)
2497 def get_weights_derivatives(self):
2498 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2499 return _IMP_isd.Weight_get_weights_derivatives(self)
2501 def add_to_weight_derivative(self, i, dwi, da):
2502 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2503 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2505 def add_to_weights_derivatives(self, dw, da):
2506 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2507 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2509 def add_weight_lazy(self, wi=0):
2510 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2511 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2513 def add_weight(self, wi=0):
2514 r"""add_weight(Weight self, IMP::Float wi=0)"""
2515 return _IMP_isd.Weight_add_weight(self, wi)
2517 def get_number_of_weights(self):
2518 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2519 return _IMP_isd.Weight_get_number_of_weights(self)
2521 def get_unit_simplex(self):
2522 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2523 return _IMP_isd.Weight_get_unit_simplex(self)
2525 def set_number_of_weights_lazy(self, nweights):
2526 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2527 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2529 def set_number_of_weights(self, nweights):
2530 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2531 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2534 def get_is_setup(*args):
2536 get_is_setup(_ParticleAdaptor p) -> bool
2537 get_is_setup(Model m, ParticleIndex pi) -> bool
2539 return _IMP_isd.Weight_get_is_setup(*args)
2541 def add_attribute(self, *args):
2543 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2544 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2545 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2546 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2547 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2548 add_attribute(Weight self, StringKey a0, IMP::String a1)
2549 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2550 add_attribute(Weight self, ObjectKey a0, Object a1)
2551 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2552 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2553 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2554 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2556 return _IMP_isd.Weight_add_attribute(self, *args)
2558 def get_value(self, *args):
2560 get_value(Weight self, FloatKey a0) -> IMP::Float
2561 get_value(Weight self, IntKey a0) -> IMP::Int
2562 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2563 get_value(Weight self, IntsKey a0) -> IMP::Ints
2564 get_value(Weight self, StringKey a0) -> IMP::String
2565 get_value(Weight self, ParticleIndexKey a0) -> Particle
2566 get_value(Weight self, ObjectKey a0) -> Object
2567 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2568 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2569 get_value(Weight self, SparseStringKey a0) -> IMP::String
2570 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2572 return _IMP_isd.Weight_get_value(self, *args)
2574 def set_value(self, *args):
2576 set_value(Weight self, FloatKey a0, IMP::Float a1)
2577 set_value(Weight self, IntKey a0, IMP::Int a1)
2578 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2579 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2580 set_value(Weight self, StringKey a0, IMP::String a1)
2581 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2582 set_value(Weight self, ObjectKey a0, Object a1)
2583 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2584 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2585 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2586 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2588 return _IMP_isd.Weight_set_value(self, *args)
2590 def remove_attribute(self, *args):
2592 remove_attribute(Weight self, FloatKey a0)
2593 remove_attribute(Weight self, IntKey a0)
2594 remove_attribute(Weight self, FloatsKey a0)
2595 remove_attribute(Weight self, IntsKey a0)
2596 remove_attribute(Weight self, StringKey a0)
2597 remove_attribute(Weight self, ParticleIndexKey a0)
2598 remove_attribute(Weight self, ObjectKey a0)
2599 remove_attribute(Weight self, SparseFloatKey a0)
2600 remove_attribute(Weight self, SparseIntKey a0)
2601 remove_attribute(Weight self, SparseStringKey a0)
2602 remove_attribute(Weight self, SparseParticleIndexKey a0)
2604 return _IMP_isd.Weight_remove_attribute(self, *args)
2606 def has_attribute(self, *args):
2608 has_attribute(Weight self, FloatKey a0) -> bool
2609 has_attribute(Weight self, IntKey a0) -> bool
2610 has_attribute(Weight self, FloatsKey a0) -> bool
2611 has_attribute(Weight self, IntsKey a0) -> bool
2612 has_attribute(Weight self, StringKey a0) -> bool
2613 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2614 has_attribute(Weight self, ObjectKey a0) -> bool
2615 has_attribute(Weight self, SparseFloatKey a0) -> bool
2616 has_attribute(Weight self, SparseIntKey a0) -> bool
2617 has_attribute(Weight self, SparseStringKey a0) -> bool
2618 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2620 return _IMP_isd.Weight_has_attribute(self, *args)
2622 def get_derivative(self, a0):
2623 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2624 return _IMP_isd.Weight_get_derivative(self, a0)
2627 r"""get_name(Weight self) -> std::string"""
2628 return _IMP_isd.Weight_get_name(self)
2631 r"""clear_caches(Weight self)"""
2632 return _IMP_isd.Weight_clear_caches(self)
2634 def set_name(self, a0):
2635 r"""set_name(Weight self, std::string a0)"""
2636 return _IMP_isd.Weight_set_name(self, a0)
2639 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2640 return _IMP_isd.Weight_set_check_level(self, a0)
2642 def add_to_derivative(self, a0, a1, a2):
2643 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2644 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2646 def set_is_optimized(self, a0, a1):
2647 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2648 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2650 def get_is_optimized(self, a0):
2651 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2652 return _IMP_isd.Weight_get_is_optimized(self, a0)
2654 def get_check_level(self):
2655 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2656 return _IMP_isd.Weight_get_check_level(self)
2658 def __eq__(self, *args):
2660 __eq__(Weight self, Weight o) -> bool
2661 __eq__(Weight self, Particle d) -> bool
2663 return _IMP_isd.Weight___eq__(self, *args)
2665 def __ne__(self, *args):
2667 __ne__(Weight self, Weight o) -> bool
2668 __ne__(Weight self, Particle d) -> bool
2670 return _IMP_isd.Weight___ne__(self, *args)
2672 def __le__(self, *args):
2674 __le__(Weight self, Weight o) -> bool
2675 __le__(Weight self, Particle d) -> bool
2677 return _IMP_isd.Weight___le__(self, *args)
2679 def __lt__(self, *args):
2681 __lt__(Weight self, Weight o) -> bool
2682 __lt__(Weight self, Particle d) -> bool
2684 return _IMP_isd.Weight___lt__(self, *args)
2686 def __ge__(self, *args):
2688 __ge__(Weight self, Weight o) -> bool
2689 __ge__(Weight self, Particle d) -> bool
2691 return _IMP_isd.Weight___ge__(self, *args)
2693 def __gt__(self, *args):
2695 __gt__(Weight self, Weight o) -> bool
2696 __gt__(Weight self, Particle d) -> bool
2698 return _IMP_isd.Weight___gt__(self, *args)
2701 r"""__hash__(Weight self) -> std::size_t"""
2702 return _IMP_isd.Weight___hash__(self)
2705 r"""__str__(Weight self) -> std::string"""
2706 return _IMP_isd.Weight___str__(self)
2709 r"""__repr__(Weight self) -> std::string"""
2710 return _IMP_isd.Weight___repr__(self)
2712 def _get_as_binary(self):
2713 r"""_get_as_binary(Weight self) -> PyObject *"""
2714 return _IMP_isd.Weight__get_as_binary(self)
2716 def _set_from_binary(self, p):
2717 r"""_set_from_binary(Weight self, PyObject * p)"""
2718 return _IMP_isd.Weight__set_from_binary(self, p)
2720 def __getstate__(self):
2721 p = self._get_as_binary()
2722 if len(self.__dict__) > 1:
2723 d = self.__dict__.copy()
2728 def __setstate__(self, p):
2729 if not hasattr(self,
'this'):
2731 if isinstance(p, tuple):
2733 self.__dict__.update(d)
2734 return self._set_from_binary(p)
2736 __swig_destroy__ = _IMP_isd.delete_Weight
2739 _IMP_isd.Weight_swigregister(Weight)
2740 cvar = _IMP_isd.cvar
2741 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2744 def __lshift__(*args):
2746 __lshift__(_ostream out, Nuisance n) -> _ostream
2747 __lshift__(_ostream out, Scale n) -> _ostream
2748 __lshift__(_ostream out, Switching n) -> _ostream
2749 __lshift__(_ostream out, Weight n) -> _ostream
2751 return _IMP_isd.__lshift__(*args)
2753 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2755 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2757 def __init__(self, *args):
2759 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2760 __init__(JeffreysRestraint self) -> JeffreysRestraint
2762 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2765 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2766 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2769 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2770 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2771 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2774 r"""get_index(JeffreysRestraint self) -> ParticleIndex"""
2775 return _IMP_isd.JeffreysRestraint_get_index(self)
2777 def get_probability(self):
2778 r"""get_probability(JeffreysRestraint self) -> double"""
2779 return _IMP_isd.JeffreysRestraint_get_probability(self)
2782 r"""__str__(JeffreysRestraint self) -> std::string"""
2783 return _IMP_isd.JeffreysRestraint___str__(self)
2786 r"""__repr__(JeffreysRestraint self) -> std::string"""
2787 return _IMP_isd.JeffreysRestraint___repr__(self)
2791 return _object_cast_to_JeffreysRestraint(o)
2794 def _get_as_binary(self):
2795 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2796 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2798 def _set_from_binary(self, p):
2799 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2800 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2802 def __getstate__(self):
2803 p = self._get_as_binary()
2804 if len(self.__dict__) > 1:
2805 d = self.__dict__.copy()
2810 def __setstate__(self, p):
2811 if not hasattr(self,
'this'):
2813 if isinstance(p, tuple):
2815 self.__dict__.update(d)
2816 return self._set_from_binary(p)
2819 def _get_jax(self, space):
2820 import jax.numpy
as jnp
2821 indexes = jnp.array([self.get_index()])
2823 nuisance = jm[
'nuisance'][indexes]
2824 return jnp.sum(jnp.log(nuisance))
2825 return self._wrap_jax(score, keys=[Scale.get_scale_key()])
2829 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2831 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2835 def __init__(self, *args):
2837 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2838 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2840 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2842 def get_sigma(self):
2843 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2844 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2846 def get_alpha(self):
2847 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2848 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2850 def get_sigma_upper(self):
2851 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2852 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2854 def get_probability(self):
2855 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2856 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2859 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2860 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2863 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2864 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2865 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2868 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2869 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2872 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2873 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2877 return _object_cast_to_NormalSigmaPCRestraint(o)
2881 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2883 r"""Proxy of C++ IMP::isd::Distribution class."""
2885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2887 def __init__(self, *args):
2888 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2889 if self.__class__ == Distribution:
2893 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2895 if self.__class__ != Distribution:
2896 _director_objects.register(self)
2901 def get_type_name(self):
2902 r"""get_type_name(Distribution self) -> std::string"""
2903 return _IMP_isd.Distribution_get_type_name(self)
2906 r"""get_version_info(Distribution self) -> VersionInfo"""
2907 return _IMP_isd.Distribution_get_version_info(self)
2908 __swig_destroy__ = _IMP_isd.delete_Distribution
2911 r"""__str__(Distribution self) -> std::string"""
2912 return _IMP_isd.Distribution___str__(self)
2915 r"""__repr__(Distribution self) -> std::string"""
2916 return _IMP_isd.Distribution___repr__(self)
2920 return _object_cast_to_Distribution(o)
2923 def do_show(self, out):
2928 return _object_cast_to_Distribution(o)
2930 def __disown__(self):
2932 _IMP_isd.disown_Distribution(self)
2933 return weakref.proxy(self)
2936 r"""do_destroy(Distribution self)"""
2937 return _IMP_isd.Distribution_do_destroy(self)
2940 _IMP_isd.Distribution_swigregister(Distribution)
2941 class OneDimensionalDistribution(Distribution):
2942 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2946 def do_evaluate(self, *args):
2948 do_evaluate(OneDimensionalDistribution self, double v) -> double
2949 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2951 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2953 def do_get_density(self, *args):
2955 do_get_density(OneDimensionalDistribution self, double v) -> double
2956 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2958 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2960 def __init__(self, *args):
2961 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2962 if self.__class__ == OneDimensionalDistribution:
2966 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2968 if self.__class__ != OneDimensionalDistribution:
2969 _director_objects.register(self)
2974 def evaluate(self, *args):
2976 evaluate(OneDimensionalDistribution self, double v) -> double
2977 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2979 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2981 def get_density(self, *args):
2983 get_density(OneDimensionalDistribution self, double v) -> double
2984 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2986 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2988 def get_type_name(self):
2989 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2990 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2993 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2994 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2995 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2998 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2999 return _IMP_isd.OneDimensionalDistribution___str__(self)
3002 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
3003 return _IMP_isd.OneDimensionalDistribution___repr__(self)
3007 return _object_cast_to_OneDimensionalDistribution(o)
3010 def do_show(self, out):
3015 return _object_cast_to_OneDimensionalDistribution(o)
3017 def __disown__(self):
3019 _IMP_isd.disown_OneDimensionalDistribution(self)
3020 return weakref.proxy(self)
3023 r"""do_destroy(OneDimensionalDistribution self)"""
3024 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
3027 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
3028 class OneDimensionalSufficientDistribution(Distribution):
3029 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
3031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3033 def do_update_sufficient_statistics(self, vs):
3034 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3035 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
3037 def do_get_sufficient_statistics(self):
3038 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3039 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
3041 def do_evaluate(self):
3042 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
3043 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
3045 def do_get_density(self):
3046 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
3047 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
3049 def __init__(self, *args):
3050 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
3051 if self.__class__ == OneDimensionalSufficientDistribution:
3055 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
3057 if self.__class__ != OneDimensionalSufficientDistribution:
3058 _director_objects.register(self)
3063 def update_sufficient_statistics(self, vs):
3064 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3065 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
3067 def get_sufficient_statistics(self):
3068 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3069 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
3072 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
3073 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
3075 def get_density(self):
3076 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
3077 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
3079 def get_type_name(self):
3080 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
3081 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
3084 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
3085 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
3086 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
3089 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
3090 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
3093 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
3094 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
3098 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3101 def do_show(self, out):
3106 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3108 def __disown__(self):
3110 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
3111 return weakref.proxy(self)
3114 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
3115 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
3118 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
3119 class FNormal(OneDimensionalSufficientDistribution):
3120 r"""Proxy of C++ IMP::isd::FNormal class."""
3122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3124 def __init__(self, FA, JA, FM, sigma):
3125 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
3126 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
3128 def update_sufficient_statistics(self, FA):
3129 r"""update_sufficient_statistics(FNormal self, double FA)"""
3130 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
3132 def do_update_sufficient_statistics(self, data):
3133 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
3134 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
3136 def do_get_sufficient_statistics(self):
3137 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
3138 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
3140 def do_evaluate(self):
3141 r"""do_evaluate(FNormal self) -> double"""
3142 return _IMP_isd.FNormal_do_evaluate(self)
3144 def evaluate_derivative_FA(self):
3145 r"""evaluate_derivative_FA(FNormal self) -> double"""
3146 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
3148 def evaluate_derivative_JA(self):
3149 r"""evaluate_derivative_JA(FNormal self) -> double"""
3150 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
3152 def evaluate_derivative_FM(self):
3153 r"""evaluate_derivative_FM(FNormal self) -> double"""
3154 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
3156 def evaluate_derivative_sigma(self):
3157 r"""evaluate_derivative_sigma(FNormal self) -> double"""
3158 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
3160 def do_get_density(self):
3161 r"""do_get_density(FNormal self) -> double"""
3162 return _IMP_isd.FNormal_do_get_density(self)
3164 def set_FA(self, f):
3165 r"""set_FA(FNormal self, double f)"""
3166 return _IMP_isd.FNormal_set_FA(self, f)
3168 def set_JA(self, f):
3169 r"""set_JA(FNormal self, double f)"""
3170 return _IMP_isd.FNormal_set_JA(self, f)
3172 def set_FM(self, f):
3173 r"""set_FM(FNormal self, double f)"""
3174 return _IMP_isd.FNormal_set_FM(self, f)
3176 def set_sigma(self, f):
3177 r"""set_sigma(FNormal self, double f)"""
3178 return _IMP_isd.FNormal_set_sigma(self, f)
3179 __swig_destroy__ = _IMP_isd.delete_FNormal
3182 r"""__str__(FNormal self) -> std::string"""
3183 return _IMP_isd.FNormal___str__(self)
3186 r"""__repr__(FNormal self) -> std::string"""
3187 return _IMP_isd.FNormal___repr__(self)
3191 return _object_cast_to_FNormal(o)
3195 _IMP_isd.FNormal_swigregister(FNormal)
3196 class FStudentT(OneDimensionalSufficientDistribution):
3197 r"""Proxy of C++ IMP::isd::FStudentT class."""
3199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3201 def __init__(self, *args):
3203 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3204 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3206 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3208 def update_sufficient_statistics(self, FXs, JXs):
3209 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3210 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3212 def evaluate_derivative_Fx(self, Fx):
3213 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3214 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3216 def evaluate_derivative_FX(self, FXs):
3217 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3218 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3220 def evaluate_derivative_LogJX(self):
3221 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3222 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3224 def evaluate_derivative_FM(self):
3225 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3226 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3228 def evaluate_derivative_sigma(self):
3229 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3230 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3232 def evaluate_derivative_nu(self):
3233 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3234 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3236 def update_cached_values(self):
3237 r"""update_cached_values(FStudentT self)"""
3238 return _IMP_isd.FStudentT_update_cached_values(self)
3240 def set_sumFX(self, v):
3241 r"""set_sumFX(FStudentT self, double v)"""
3242 return _IMP_isd.FStudentT_set_sumFX(self, v)
3244 def set_sumFX2(self, v):
3245 r"""set_sumFX2(FStudentT self, double v)"""
3246 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3249 r"""set_N(FStudentT self, unsigned int v)"""
3250 return _IMP_isd.FStudentT_set_N(self, v)
3252 def set_LogJX(self, v):
3253 r"""set_LogJX(FStudentT self, double v)"""
3254 return _IMP_isd.FStudentT_set_LogJX(self, v)
3256 def set_FM(self, v):
3257 r"""set_FM(FStudentT self, double v)"""
3258 return _IMP_isd.FStudentT_set_FM(self, v)
3260 def set_sigma(self, v):
3261 r"""set_sigma(FStudentT self, double v)"""
3262 return _IMP_isd.FStudentT_set_sigma(self, v)
3264 def set_nu(self, v):
3265 r"""set_nu(FStudentT self, double v)"""
3266 return _IMP_isd.FStudentT_set_nu(self, v)
3268 def get_sumFX(self):
3269 r"""get_sumFX(FStudentT self) -> double"""
3270 return _IMP_isd.FStudentT_get_sumFX(self)
3272 def get_sumFX2(self):
3273 r"""get_sumFX2(FStudentT self) -> double"""
3274 return _IMP_isd.FStudentT_get_sumFX2(self)
3277 r"""get_N(FStudentT self) -> unsigned int"""
3278 return _IMP_isd.FStudentT_get_N(self)
3280 def get_LogJX(self):
3281 r"""get_LogJX(FStudentT self) -> double"""
3282 return _IMP_isd.FStudentT_get_LogJX(self)
3285 r"""get_FM(FStudentT self) -> double"""
3286 return _IMP_isd.FStudentT_get_FM(self)
3288 def get_sigma(self):
3289 r"""get_sigma(FStudentT self) -> double"""
3290 return _IMP_isd.FStudentT_get_sigma(self)
3293 r"""get_nu(FStudentT self) -> double"""
3294 return _IMP_isd.FStudentT_get_nu(self)
3295 __swig_destroy__ = _IMP_isd.delete_FStudentT
3298 r"""__str__(FStudentT self) -> std::string"""
3299 return _IMP_isd.FStudentT___str__(self)
3302 r"""__repr__(FStudentT self) -> std::string"""
3303 return _IMP_isd.FStudentT___repr__(self)
3307 return _object_cast_to_FStudentT(o)
3311 _IMP_isd.FStudentT_swigregister(FStudentT)
3313 r"""Proxy of C++ IMP::isd::vonMises class."""
3315 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3317 def __init__(self, x, mu, kappa):
3318 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3319 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3322 r"""evaluate(vonMises self) -> double"""
3323 return _IMP_isd.vonMises_evaluate(self)
3325 def evaluate_derivative_x(self):
3326 r"""evaluate_derivative_x(vonMises self) -> double"""
3327 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3329 def evaluate_derivative_mu(self):
3330 r"""evaluate_derivative_mu(vonMises self) -> double"""
3331 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3333 def evaluate_derivative_kappa(self):
3334 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3335 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3338 r"""density(vonMises self) -> double"""
3339 return _IMP_isd.vonMises_density(self)
3342 r"""set_x(vonMises self, double x)"""
3343 return _IMP_isd.vonMises_set_x(self, x)
3345 def set_mu(self, mu):
3346 r"""set_mu(vonMises self, double mu)"""
3347 return _IMP_isd.vonMises_set_mu(self, mu)
3349 def set_kappa(self, kappa):
3350 r"""set_kappa(vonMises self, double kappa)"""
3351 return _IMP_isd.vonMises_set_kappa(self, kappa)
3354 r"""get_version_info(vonMises self) -> VersionInfo"""
3355 return _IMP_isd.vonMises_get_version_info(self)
3356 __swig_destroy__ = _IMP_isd.delete_vonMises
3359 r"""__str__(vonMises self) -> std::string"""
3360 return _IMP_isd.vonMises___str__(self)
3363 r"""__repr__(vonMises self) -> std::string"""
3364 return _IMP_isd.vonMises___repr__(self)
3368 return _object_cast_to_vonMises(o)
3372 _IMP_isd.vonMises_swigregister(vonMises)
3374 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3376 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3378 def __init__(self, *args):
3380 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3381 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3383 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3386 r"""evaluate(vonMisesSufficient self) -> double"""
3387 return _IMP_isd.vonMisesSufficient_evaluate(self)
3389 def evaluate_derivative_x(self):
3390 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3391 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3393 def evaluate_derivative_kappa(self):
3394 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3395 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3398 r"""density(vonMisesSufficient self) -> double"""
3399 return _IMP_isd.vonMisesSufficient_density(self)
3402 r"""get_x(vonMisesSufficient self) -> double"""
3403 return _IMP_isd.vonMisesSufficient_get_x(self)
3406 r"""get_R0(vonMisesSufficient self) -> double"""
3407 return _IMP_isd.vonMisesSufficient_get_R0(self)
3409 def get_chiexp(self):
3410 r"""get_chiexp(vonMisesSufficient self) -> double"""
3411 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3414 r"""get_N(vonMisesSufficient self) -> double"""
3415 return _IMP_isd.vonMisesSufficient_get_N(self)
3417 def get_kappa(self):
3418 r"""get_kappa(vonMisesSufficient self) -> double"""
3419 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3422 r"""set_x(vonMisesSufficient self, double x)"""
3423 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3425 def set_R0(self, R0):
3426 r"""set_R0(vonMisesSufficient self, double R0)"""
3427 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3429 def set_chiexp(self, chiexp):
3430 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3431 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3434 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3435 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3437 def set_kappa(self, kappa):
3438 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3439 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3442 def get_sufficient_statistics(data):
3443 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3444 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3447 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3448 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3449 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3452 r"""__str__(vonMisesSufficient self) -> std::string"""
3453 return _IMP_isd.vonMisesSufficient___str__(self)
3456 r"""__repr__(vonMisesSufficient self) -> std::string"""
3457 return _IMP_isd.vonMisesSufficient___repr__(self)
3461 return _object_cast_to_vonMisesSufficient(o)
3465 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3466 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3467 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3471 def __init__(self, *args):
3472 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3473 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3475 def update_sufficient_statistics(self, Dxis, Jxis):
3476 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3477 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3479 def evaluate_derivative_Dxi(self):
3480 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3481 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3483 def evaluate_derivative_Jxi(self):
3484 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3485 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3487 def evaluate_derivative_alpha(self):
3488 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3489 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3491 def evaluate_derivative_xi(self, JJxi):
3492 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3493 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3495 def set_Dxi(self, v):
3496 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3497 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3499 def set_Jxi(self, v):
3500 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3501 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3503 def set_alpha(self, v):
3504 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3505 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3508 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3509 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3512 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3513 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3515 def get_alpha(self):
3516 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3517 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3518 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3521 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3522 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3525 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3526 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3530 return _object_cast_to_PenalizedComplexityPrior(o)
3534 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3536 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3538 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3540 def __init__(self, m, kappa):
3541 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3542 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3545 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3546 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3549 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3550 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3551 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3553 def get_probability(self):
3554 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3555 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3558 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3559 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3562 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3563 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3567 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3571 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3573 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3575 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3577 def __init__(self, m, kappa, c=10.0, R0=0.0):
3578 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3579 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3582 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3583 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3586 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3587 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3588 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3590 def get_probability(self):
3591 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3592 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3595 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3596 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3599 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3600 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3604 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3608 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3610 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3614 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3615 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3616 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3618 def get_probability(self):
3619 r"""get_probability(NOERestraint self) -> double"""
3620 return _IMP_isd.NOERestraint_get_probability(self)
3623 r"""get_chi(NOERestraint self) -> double"""
3624 return _IMP_isd.NOERestraint_get_chi(self)
3627 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3628 return _IMP_isd.NOERestraint_do_get_inputs(self)
3631 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3632 return _IMP_isd.NOERestraint_get_version_info(self)
3633 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3636 r"""__str__(NOERestraint self) -> std::string"""
3637 return _IMP_isd.NOERestraint___str__(self)
3640 r"""__repr__(NOERestraint self) -> std::string"""
3641 return _IMP_isd.NOERestraint___repr__(self)
3645 return _object_cast_to_NOERestraint(o)
3649 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3651 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3655 def __init__(self, *args):
3657 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3658 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3659 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3660 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3661 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3662 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3663 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3665 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3667 def get_probability(self):
3668 r"""get_probability(GaussianRestraint self) -> double"""
3669 return _IMP_isd.GaussianRestraint_get_probability(self)
3672 r"""get_chi(GaussianRestraint self) -> double"""
3673 return _IMP_isd.GaussianRestraint_get_chi(self)
3676 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3677 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3680 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3681 return _IMP_isd.GaussianRestraint_get_version_info(self)
3682 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3685 r"""__str__(GaussianRestraint self) -> std::string"""
3686 return _IMP_isd.GaussianRestraint___str__(self)
3689 r"""__repr__(GaussianRestraint self) -> std::string"""
3690 return _IMP_isd.GaussianRestraint___repr__(self)
3694 return _object_cast_to_GaussianRestraint(o)
3698 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3700 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3704 def __init__(self, *args):
3706 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3707 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3708 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3709 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3710 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3711 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3712 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3713 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3714 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3715 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3716 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3717 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3718 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3719 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3720 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3722 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3724 def get_probability(self):
3725 r"""get_probability(StudentTRestraint self) -> double"""
3726 return _IMP_isd.StudentTRestraint_get_probability(self)
3729 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3730 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3733 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3734 return _IMP_isd.StudentTRestraint_get_version_info(self)
3735 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3738 r"""__str__(StudentTRestraint self) -> std::string"""
3739 return _IMP_isd.StudentTRestraint___str__(self)
3742 r"""__repr__(StudentTRestraint self) -> std::string"""
3743 return _IMP_isd.StudentTRestraint___repr__(self)
3747 return _object_cast_to_StudentTRestraint(o)
3751 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3753 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3755 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3757 def __init__(self, *args):
3759 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3760 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3761 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3762 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3763 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3764 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3765 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3767 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3769 def get_probability(self):
3770 r"""get_probability(LognormalRestraint self) -> double"""
3771 return _IMP_isd.LognormalRestraint_get_probability(self)
3774 r"""get_chi(LognormalRestraint self) -> double"""
3775 return _IMP_isd.LognormalRestraint_get_chi(self)
3778 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3779 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3782 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3783 return _IMP_isd.LognormalRestraint_get_version_info(self)
3784 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3787 r"""__str__(LognormalRestraint self) -> std::string"""
3788 return _IMP_isd.LognormalRestraint___str__(self)
3791 r"""__repr__(LognormalRestraint self) -> std::string"""
3792 return _IMP_isd.LognormalRestraint___repr__(self)
3796 return _object_cast_to_LognormalRestraint(o)
3800 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3802 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3806 def __init__(self, p1, p2, ki, sigmaG):
3807 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3808 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3810 def add_contribution(self, lexp, omega):
3811 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3812 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3814 def get_number_of_contributions(self):
3815 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3816 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3818 def draw_k_from_posterior(self, kt):
3819 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3820 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3822 def get_probability(self):
3823 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3824 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3827 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3828 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3831 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3832 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3833 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3836 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3837 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3840 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3841 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3845 return _object_cast_to_LognormalAmbiguousRestraint(o)
3849 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3851 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3853 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3855 def __init__(self, *args):
3857 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3858 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3860 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3862 def get_probability(self):
3863 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3864 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3867 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3868 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3871 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3872 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3875 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3876 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3877 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3880 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3881 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3884 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3885 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3889 return _object_cast_to_AmbiguousNOERestraint(o)
3892 def _get_as_binary(self):
3893 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3894 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3896 def _set_from_binary(self, p):
3897 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3898 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3900 def __getstate__(self):
3901 p = self._get_as_binary()
3902 if len(self.__dict__) > 1:
3903 d = self.__dict__.copy()
3908 def __setstate__(self, p):
3909 if not hasattr(self,
'this'):
3911 if isinstance(p, tuple):
3913 self.__dict__.update(d)
3914 return self._set_from_binary(p)
3918 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3920 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3924 def __init__(self, m):
3925 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3926 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3928 def add_contribution(self, *args):
3930 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3931 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3933 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3935 def get_log_gammahat(self):
3936 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3937 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3940 r"""get_SS(MarginalNOERestraint self) -> double"""
3941 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3943 def get_number_of_contributions(self):
3944 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3945 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3947 def get_probability(self):
3948 r"""get_probability(MarginalNOERestraint self) -> double"""
3949 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3952 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3953 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3956 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3957 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3958 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3961 r"""__str__(MarginalNOERestraint self) -> std::string"""
3962 return _IMP_isd.MarginalNOERestraint___str__(self)
3965 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3966 return _IMP_isd.MarginalNOERestraint___repr__(self)
3970 return _object_cast_to_MarginalNOERestraint(o)
3974 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3976 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3980 def __init__(self, m):
3981 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3982 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3984 def add_contribution(self, *args):
3986 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3987 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3989 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3991 def get_logsquares(self):
3992 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3993 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3995 def get_number_of_contributions(self):
3996 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3997 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3999 def get_probability(self):
4000 r"""get_probability(MarginalHBondRestraint self) -> double"""
4001 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
4004 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
4005 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
4008 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
4009 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
4010 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
4013 r"""__str__(MarginalHBondRestraint self) -> std::string"""
4014 return _IMP_isd.MarginalHBondRestraint___str__(self)
4017 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
4018 return _IMP_isd.MarginalHBondRestraint___repr__(self)
4022 return _object_cast_to_MarginalHBondRestraint(o)
4026 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
4028 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
4030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4032 def __init__(self, *args):
4034 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
4035 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
4036 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4037 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4039 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
4041 def get_probability(self):
4042 r"""get_probability(TALOSRestraint self) -> double"""
4043 return _IMP_isd.TALOSRestraint_get_probability(self)
4046 r"""get_R0(TALOSRestraint self) -> double"""
4047 return _IMP_isd.TALOSRestraint_get_R0(self)
4049 def get_chiexp(self):
4050 r"""get_chiexp(TALOSRestraint self) -> double"""
4051 return _IMP_isd.TALOSRestraint_get_chiexp(self)
4054 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
4055 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
4058 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
4059 return _IMP_isd.TALOSRestraint_get_version_info(self)
4060 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
4063 r"""__str__(TALOSRestraint self) -> std::string"""
4064 return _IMP_isd.TALOSRestraint___str__(self)
4067 r"""__repr__(TALOSRestraint self) -> std::string"""
4068 return _IMP_isd.TALOSRestraint___repr__(self)
4072 return _object_cast_to_TALOSRestraint(o)
4076 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
4078 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
4080 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4082 def __init__(self, d0, k):
4083 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
4084 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
4086 def get_rest_length(self):
4087 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
4088 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
4090 def get_stiffness(self):
4091 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
4092 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
4095 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4096 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
4098 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4099 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"""
4100 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4102 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4103 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"""
4104 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4106 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4107 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"""
4108 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4110 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4111 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"""
4112 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4115 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
4116 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
4117 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
4120 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
4121 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
4124 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
4125 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
4129 return _object_cast_to_RepulsiveDistancePairScore(o)
4133 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
4135 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
4137 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4139 def __init__(self, *args):
4141 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
4142 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
4143 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
4145 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
4147 def get_probability(self):
4148 r"""get_probability(AmbiguousRestraint self) -> double"""
4149 return _IMP_isd.AmbiguousRestraint_get_probability(self)
4152 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
4153 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
4156 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
4157 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
4158 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
4161 r"""__str__(AmbiguousRestraint self) -> std::string"""
4162 return _IMP_isd.AmbiguousRestraint___str__(self)
4165 r"""__repr__(AmbiguousRestraint self) -> std::string"""
4166 return _IMP_isd.AmbiguousRestraint___repr__(self)
4170 return _object_cast_to_AmbiguousRestraint(o)
4173 def _get_as_binary(self):
4174 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
4175 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
4177 def _set_from_binary(self, p):
4178 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
4179 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4181 def __getstate__(self):
4182 p = self._get_as_binary()
4183 if len(self.__dict__) > 1:
4184 d = self.__dict__.copy()
4189 def __setstate__(self, p):
4190 if not hasattr(self,
'this'):
4192 if isinstance(p, tuple):
4194 self.__dict__.update(d)
4195 return self._set_from_binary(p)
4199 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4200 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4203 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4207 def __init__(self, *args, **kwargs):
4208 raise AttributeError(
"No constructor defined - class is abstract")
4210 def __call__(self, *args):
4212 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4213 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4214 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4216 return _IMP_isd.UnivariateFunction___call__(self, *args)
4218 def has_changed(self):
4219 r"""has_changed(UnivariateFunction self) -> bool"""
4220 return _IMP_isd.UnivariateFunction_has_changed(self)
4223 r"""update(UnivariateFunction self)"""
4224 return _IMP_isd.UnivariateFunction_update(self)
4226 def add_to_derivatives(self, x, accum):
4227 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4228 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4230 def add_to_particle_derivative(self, particle_no, value, accum):
4231 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4232 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4234 def get_derivative_vector(self, particle_no, xlist):
4235 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4236 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4238 def get_derivative_matrix(self, xlist, stupid):
4239 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4240 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4242 def get_second_derivative_vector(self, *args):
4244 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4245 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4247 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4249 def get_ndims_x(self):
4250 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4251 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4253 def get_ndims_y(self):
4254 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4255 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4257 def get_number_of_particles(self):
4258 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4259 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4261 def get_particle_is_optimized(self, particle_no):
4262 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4263 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4265 def get_number_of_optimized_particles(self):
4266 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4267 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4270 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4271 return _IMP_isd.UnivariateFunction_get_inputs(self)
4272 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4275 r"""__str__(UnivariateFunction self) -> std::string"""
4276 return _IMP_isd.UnivariateFunction___str__(self)
4279 r"""__repr__(UnivariateFunction self) -> std::string"""
4280 return _IMP_isd.UnivariateFunction___repr__(self)
4284 return _object_cast_to_UnivariateFunction(o)
4288 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4289 class Linear1DFunction(UnivariateFunction):
4290 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4294 def __init__(self, a, b):
4295 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4296 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4298 def __call__(self, *args):
4300 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4301 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4302 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4304 return _IMP_isd.Linear1DFunction___call__(self, *args)
4306 def get_second_derivative_vector(self, *args):
4308 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4309 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4311 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4314 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4315 return _IMP_isd.Linear1DFunction_get_version_info(self)
4316 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4319 r"""__str__(Linear1DFunction self) -> std::string"""
4320 return _IMP_isd.Linear1DFunction___str__(self)
4323 r"""__repr__(Linear1DFunction self) -> std::string"""
4324 return _IMP_isd.Linear1DFunction___repr__(self)
4328 return _object_cast_to_Linear1DFunction(o)
4332 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4333 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4334 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4338 def __init__(self, G, Rg, d, s, A):
4339 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4340 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4342 def __call__(self, *args):
4344 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4345 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4346 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4348 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4350 def get_second_derivative_vector(self, *args):
4352 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4353 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4355 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4358 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4359 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4360 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4363 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4364 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4367 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4368 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4372 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4376 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4377 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4380 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4382 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4384 def __init__(self, *args, **kwargs):
4385 raise AttributeError(
"No constructor defined - class is abstract")
4387 def __call__(self, *args):
4389 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4390 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4391 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4393 return _IMP_isd.BivariateFunction___call__(self, *args)
4395 def has_changed(self):
4396 r"""has_changed(BivariateFunction self) -> bool"""
4397 return _IMP_isd.BivariateFunction_has_changed(self)
4400 r"""update(BivariateFunction self)"""
4401 return _IMP_isd.BivariateFunction_update(self)
4403 def add_to_derivatives(self, x1, x2, accum):
4404 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4405 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4407 def add_to_particle_derivative(self, particle_no, value, accum):
4408 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4409 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4411 def get_derivative_matrix(self, *args):
4413 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4414 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4416 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4418 def get_second_derivative_matrix(self, *args):
4420 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4421 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4423 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4425 def get_ndims_x1(self):
4426 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4427 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4429 def get_ndims_x2(self):
4430 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4431 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4433 def get_ndims_y(self):
4434 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4435 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4437 def get_number_of_particles(self):
4438 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4439 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4441 def get_particle_is_optimized(self, particle_no):
4442 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4443 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4445 def get_number_of_optimized_particles(self):
4446 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4447 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4450 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4451 return _IMP_isd.BivariateFunction_get_inputs(self)
4452 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4455 r"""__str__(BivariateFunction self) -> std::string"""
4456 return _IMP_isd.BivariateFunction___str__(self)
4459 r"""__repr__(BivariateFunction self) -> std::string"""
4460 return _IMP_isd.BivariateFunction___repr__(self)
4464 return _object_cast_to_BivariateFunction(o)
4468 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4469 class Covariance1DFunction(BivariateFunction):
4470 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4472 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4474 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4475 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4476 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4478 def __call__(self, *args):
4480 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4481 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4482 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4484 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4486 def get_derivative_matrix(self, *args):
4488 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4489 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4491 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4493 def get_second_derivative_matrix(self, *args):
4495 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4496 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4498 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4501 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4502 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4503 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4506 r"""__str__(Covariance1DFunction self) -> std::string"""
4507 return _IMP_isd.Covariance1DFunction___str__(self)
4510 r"""__repr__(Covariance1DFunction self) -> std::string"""
4511 return _IMP_isd.Covariance1DFunction___repr__(self)
4515 return _object_cast_to_Covariance1DFunction(o)
4519 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4520 class GaussianProcessInterpolation(
IMP.Object):
4521 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4523 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4525 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4526 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"""
4527 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4529 def get_posterior_mean(self, x):
4530 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4531 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4533 def get_posterior_covariance(self, x1, x2):
4534 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4535 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4537 def get_posterior_covariance_matrix(self, x, arg3):
4538 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4539 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4541 def get_posterior_covariance_derivative(self, x, arg3):
4542 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4543 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4545 def get_posterior_covariance_hessian(self, x, arg3):
4546 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4547 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4550 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4551 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4553 def force_mean_update(self):
4554 r"""force_mean_update(GaussianProcessInterpolation self)"""
4555 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4557 def force_covariance_update(self):
4558 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4559 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4561 def get_number_of_m_particles(self):
4562 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4563 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4565 def get_m_particle_is_optimized(self, i):
4566 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4567 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4569 def get_number_of_Omega_particles(self):
4570 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4571 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4573 def get_Omega_particle_is_optimized(self, i):
4574 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4575 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4577 def get_data_abscissa(self):
4578 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4579 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4581 def get_data_mean(self):
4582 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4583 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4585 def get_data_variance(self):
4586 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4587 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4590 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4591 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4592 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4595 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4596 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4599 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4600 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4604 return _object_cast_to_GaussianProcessInterpolation(o)
4608 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4610 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4614 def __init__(self, m, gpi):
4615 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4616 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4618 def get_probability(self):
4619 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4620 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4622 def set_use_cg(self, use, tol):
4623 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4624 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4626 def get_minus_log_normalization(self):
4627 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4628 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4630 def get_minus_exponent(self):
4631 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4632 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4634 def get_logdet_hessian(self):
4635 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4636 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4638 def get_hessian(self, *args):
4640 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4641 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4643 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4646 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4647 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4650 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4651 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4652 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4655 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4656 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4659 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4660 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4664 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4668 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4670 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4674 def __init__(self, m=None):
4675 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4676 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4679 r"""__str__(MolecularDynamics self) -> std::string"""
4680 return _IMP_isd.MolecularDynamics___str__(self)
4683 r"""__repr__(MolecularDynamics self) -> std::string"""
4684 return _IMP_isd.MolecularDynamics___repr__(self)
4688 return _object_cast_to_MolecularDynamics(o)
4690 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4693 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4695 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4699 def __init__(self, m, nsteps=100, timestep=1.):
4700 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4701 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4704 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4705 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4707 def get_number_of_md_steps(self):
4708 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4709 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4711 def set_number_of_md_steps(self, nsteps):
4712 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4713 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4716 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4717 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4718 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4721 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4722 return _IMP_isd.MolecularDynamicsMover___str__(self)
4725 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4726 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4730 return _object_cast_to_MolecularDynamicsMover(o)
4734 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4736 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4740 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4741 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"""
4742 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4744 def get_kinetic_energy(self):
4745 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4746 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4748 def get_potential_energy(self):
4749 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4750 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4752 def get_total_energy(self):
4753 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4754 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4756 def set_timestep(self, ts):
4757 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4758 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4760 def get_timestep(self):
4761 r"""get_timestep(HybridMonteCarlo self) -> double"""
4762 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4764 def set_number_of_md_steps(self, nsteps):
4765 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4766 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4768 def get_number_of_md_steps(self):
4769 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4770 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4772 def set_persistence(self, persistence=1):
4773 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4774 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4776 def get_persistence(self):
4777 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4778 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4781 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4782 return _IMP_isd.HybridMonteCarlo_get_md(self)
4784 def do_evaluate(self, arg2, arg3):
4785 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4786 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4789 r"""do_step(HybridMonteCarlo self)"""
4790 return _IMP_isd.HybridMonteCarlo_do_step(self)
4791 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4794 r"""__str__(HybridMonteCarlo self) -> std::string"""
4795 return _IMP_isd.HybridMonteCarlo___str__(self)
4798 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4799 return _IMP_isd.HybridMonteCarlo___repr__(self)
4803 return _object_cast_to_HybridMonteCarlo(o)
4807 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4809 r"""Proxy of C++ IMP::isd::FretData class."""
4811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4813 def __init__(self, *args):
4815 __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
4816 __init__(FretData self) -> FretData
4818 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4820 def get_closest(self, vec, value):
4821 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4822 return _IMP_isd.FretData_get_closest(self, vec, value)
4824 def get_probability(self, distn, dist, sigma):
4825 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4826 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4828 def get_kernel(self, dist, R0):
4829 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4830 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4832 def get_marginal_element(self, d_term, d_center, sigma):
4833 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4834 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4837 r"""get_version_info(FretData self) -> VersionInfo"""
4838 return _IMP_isd.FretData_get_version_info(self)
4839 __swig_destroy__ = _IMP_isd.delete_FretData
4842 r"""__str__(FretData self) -> std::string"""
4843 return _IMP_isd.FretData___str__(self)
4846 r"""__repr__(FretData self) -> std::string"""
4847 return _IMP_isd.FretData___repr__(self)
4851 return _object_cast_to_FretData(o)
4854 def _get_as_binary(self):
4855 r"""_get_as_binary(FretData self) -> PyObject *"""
4856 return _IMP_isd.FretData__get_as_binary(self)
4858 def _set_from_binary(self, p):
4859 r"""_set_from_binary(FretData self, PyObject * p)"""
4860 return _IMP_isd.FretData__set_from_binary(self, p)
4862 def __getstate__(self):
4863 p = self._get_as_binary()
4864 if len(self.__dict__) > 1:
4865 d = self.__dict__.copy()
4870 def __setstate__(self, p):
4871 if not hasattr(self,
'this'):
4873 if isinstance(p, tuple):
4875 self.__dict__.update(d)
4876 return self._set_from_binary(p)
4880 _IMP_isd.FretData_swigregister(FretData)
4882 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4886 def __init__(self, *args):
4888 __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
4889 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4890 __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
4891 __init__(FretRestraint self) -> FretRestraint
4893 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4895 def get_sumFi(self):
4896 r"""get_sumFi(FretRestraint self) -> double"""
4897 return _IMP_isd.FretRestraint_get_sumFi(self)
4899 def get_average_sigma(self, fmod):
4900 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4901 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4903 def get_standard_error(self):
4904 r"""get_standard_error(FretRestraint self) -> double"""
4905 return _IMP_isd.FretRestraint_get_standard_error(self)
4907 def get_model_fretr(self):
4908 r"""get_model_fretr(FretRestraint self) -> double"""
4909 return _IMP_isd.FretRestraint_get_model_fretr(self)
4911 def get_probability(self):
4912 r"""get_probability(FretRestraint self) -> double"""
4913 return _IMP_isd.FretRestraint_get_probability(self)
4915 def get_experimental_value(self):
4916 r"""get_experimental_value(FretRestraint self) -> double"""
4917 return _IMP_isd.FretRestraint_get_experimental_value(self)
4919 def set_experimental_value(self, fexp):
4920 r"""set_experimental_value(FretRestraint self, double fexp)"""
4921 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4924 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4925 return _IMP_isd.FretRestraint_do_get_inputs(self)
4928 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4929 return _IMP_isd.FretRestraint_get_version_info(self)
4930 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4933 r"""__str__(FretRestraint self) -> std::string"""
4934 return _IMP_isd.FretRestraint___str__(self)
4937 r"""__repr__(FretRestraint self) -> std::string"""
4938 return _IMP_isd.FretRestraint___repr__(self)
4942 return _object_cast_to_FretRestraint(o)
4945 def _get_as_binary(self):
4946 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4947 return _IMP_isd.FretRestraint__get_as_binary(self)
4949 def _set_from_binary(self, p):
4950 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4951 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4953 def __getstate__(self):
4954 p = self._get_as_binary()
4955 if len(self.__dict__) > 1:
4956 d = self.__dict__.copy()
4961 def __setstate__(self, p):
4962 if not hasattr(self,
'this'):
4964 if isinstance(p, tuple):
4966 self.__dict__.update(d)
4967 return self._set_from_binary(p)
4971 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4973 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4977 def __init__(self, *args):
4979 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4980 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4982 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4984 def get_closest(self, vec, value):
4985 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4986 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4988 def get_omegas(self, fmods, omega0):
4989 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4990 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4992 def get_nonmarginal_elements(self, fexp, fmods, omega):
4993 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4994 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4996 def get_marginal_elements(self, fmods, omega0):
4997 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4998 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
5000 def get_omega(self, fmod, omega0):
5001 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5002 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
5004 def get_standard_deviation(self, fmod, omega0):
5005 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5006 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
5008 def get_nonmarginal_element(self, fexp, fmod, omega):
5009 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
5010 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
5012 def get_marginal_element(self, fmod, omega0):
5013 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5014 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
5017 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
5018 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
5019 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
5022 r"""__str__(CysteineCrossLinkData self) -> std::string"""
5023 return _IMP_isd.CysteineCrossLinkData___str__(self)
5026 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
5027 return _IMP_isd.CysteineCrossLinkData___repr__(self)
5031 return _object_cast_to_CysteineCrossLinkData(o)
5034 def _get_as_binary(self):
5035 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
5036 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
5038 def _set_from_binary(self, p):
5039 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
5040 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
5042 def __getstate__(self):
5043 p = self._get_as_binary()
5044 if len(self.__dict__) > 1:
5045 d = self.__dict__.copy()
5050 def __setstate__(self, p):
5051 if not hasattr(self,
'this'):
5053 if isinstance(p, tuple):
5055 self.__dict__.update(d)
5056 return self._set_from_binary(p)
5060 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
5062 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
5064 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5066 def __init__(self, *args):
5068 __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
5069 __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
5070 __init__(CrossLinkData self) -> CrossLinkData
5072 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
5074 def get_closest(self, vec, value):
5075 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
5076 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
5078 def get_omegas(self, sigma, dists):
5079 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5080 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
5082 def get_omega_prior(self, omega, omega0):
5083 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
5084 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
5086 def get_nonmarginal_elements(self, sigmai, dists):
5087 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
5088 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
5090 def get_marginal_elements(self, sigma, dists):
5091 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5092 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
5094 def get_marginal_maximum(self, *args):
5096 get_marginal_maximum(CrossLinkData self, double sigma) -> double
5097 get_marginal_maximum(CrossLinkData self) -> double
5099 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
5102 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
5103 return _IMP_isd.CrossLinkData_get_version_info(self)
5104 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
5107 r"""__str__(CrossLinkData self) -> std::string"""
5108 return _IMP_isd.CrossLinkData___str__(self)
5111 r"""__repr__(CrossLinkData self) -> std::string"""
5112 return _IMP_isd.CrossLinkData___repr__(self)
5116 return _object_cast_to_CrossLinkData(o)
5119 def _get_as_binary(self):
5120 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
5121 return _IMP_isd.CrossLinkData__get_as_binary(self)
5123 def _set_from_binary(self, p):
5124 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
5125 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
5127 def __getstate__(self):
5128 p = self._get_as_binary()
5129 if len(self.__dict__) > 1:
5130 d = self.__dict__.copy()
5135 def __setstate__(self, p):
5136 if not hasattr(self,
'this'):
5138 if isinstance(p, tuple):
5140 self.__dict__.update(d)
5141 return self._set_from_binary(p)
5145 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
5147 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
5149 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5151 def __init__(self, *args):
5153 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
5154 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
5155 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
5157 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
5159 def get_probability(self):
5160 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
5161 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
5163 def get_standard_error(self):
5164 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
5165 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
5167 def get_frequencies(self):
5168 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5169 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
5171 def get_model_frequency(self):
5172 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
5173 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
5175 def get_distances(self):
5176 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5177 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
5179 def get_truncated_normalization(self, mean, sigma):
5180 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5181 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5183 def get_normal_pdf(self, mean, sigma, x):
5184 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5185 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5187 def add_contribution(self, *args):
5189 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5190 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5192 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5194 def get_CB_coordinates(self, ps):
5195 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5196 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5198 def get_number_of_contributions(self):
5199 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5200 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5203 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5204 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5207 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5208 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5209 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5212 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5213 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5216 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5217 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5221 return _object_cast_to_CysteineCrossLinkRestraint(o)
5224 def _get_as_binary(self):
5225 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5226 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5228 def _set_from_binary(self, p):
5229 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5230 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5232 def __getstate__(self):
5233 p = self._get_as_binary()
5234 if len(self.__dict__) > 1:
5235 d = self.__dict__.copy()
5240 def __setstate__(self, p):
5241 if not hasattr(self,
'this'):
5243 if isinstance(p, tuple):
5245 self.__dict__.update(d)
5246 return self._set_from_binary(p)
5250 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5252 r"""Proxy of C++ IMP::isd::WeightMover class."""
5254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5256 def __init__(self, w, radius):
5257 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5258 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5260 def set_radius(self, radius):
5261 r"""set_radius(WeightMover self, IMP::Float radius)"""
5262 return _IMP_isd.WeightMover_set_radius(self, radius)
5264 def get_radius(self):
5265 r"""get_radius(WeightMover self) -> IMP::Float"""
5266 return _IMP_isd.WeightMover_get_radius(self)
5269 r"""get_version_info(WeightMover self) -> VersionInfo"""
5270 return _IMP_isd.WeightMover_get_version_info(self)
5271 __swig_destroy__ = _IMP_isd.delete_WeightMover
5274 r"""__str__(WeightMover self) -> std::string"""
5275 return _IMP_isd.WeightMover___str__(self)
5278 r"""__repr__(WeightMover self) -> std::string"""
5279 return _IMP_isd.WeightMover___repr__(self)
5283 return _object_cast_to_WeightMover(o)
5287 _IMP_isd.WeightMover_swigregister(WeightMover)
5289 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5291 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5293 def __init__(self, w, wmin, wmax, kappa):
5294 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5295 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5298 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5299 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5302 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5303 return _IMP_isd.WeightRestraint_get_version_info(self)
5304 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5307 r"""__str__(WeightRestraint self) -> std::string"""
5308 return _IMP_isd.WeightRestraint___str__(self)
5311 r"""__repr__(WeightRestraint self) -> std::string"""
5312 return _IMP_isd.WeightRestraint___repr__(self)
5316 return _object_cast_to_WeightRestraint(o)
5320 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5322 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5324 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5326 def __init__(self, *args):
5328 __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
5329 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5331 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5333 def add_contribution(self, ppi, sigmas):
5334 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5335 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5337 def evaluate_for_contributions(self, c, accum):
5338 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5339 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5341 def get_number_of_contributions(self):
5342 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5343 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5345 def get_contribution(self, i):
5346 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5347 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5349 def get_contribution_sigmas(self, i):
5350 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5351 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5354 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5355 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5358 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5359 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5361 def show(self, out):
5362 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5363 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5365 def set_slope(self, slope):
5366 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5367 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5369 def set_part_of_log_score(self, hey):
5370 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5371 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5374 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5375 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5376 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5379 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5380 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5383 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5384 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5388 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5391 def _get_as_binary(self):
5392 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5393 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5395 def _set_from_binary(self, p):
5396 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5397 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5399 def __getstate__(self):
5400 p = self._get_as_binary()
5401 if len(self.__dict__) > 1:
5402 d = self.__dict__.copy()
5407 def __setstate__(self, p):
5408 if not hasattr(self,
'this'):
5410 if isinstance(p, tuple):
5412 self.__dict__.update(d)
5413 return self._set_from_binary(p)
5417 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5419 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5423 def __init__(self, *args):
5425 __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
5426 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5428 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5430 def get_probability(self):
5431 r"""get_probability(GaussianEMRestraint self) -> double"""
5432 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5435 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5436 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5438 def set_density_filename(self, density_fn):
5439 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5440 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5442 def compute_initial_scores(self):
5443 r"""compute_initial_scores(GaussianEMRestraint self)"""
5444 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5446 def set_slope(self, s):
5447 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5448 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5450 def get_slope(self):
5451 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5452 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5455 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5456 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5458 def show(self, out):
5459 r"""show(GaussianEMRestraint self, _ostream out)"""
5460 return _IMP_isd.GaussianEMRestraint_show(self, out)
5463 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5464 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5465 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5468 r"""__str__(GaussianEMRestraint self) -> std::string"""
5469 return _IMP_isd.GaussianEMRestraint___str__(self)
5472 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5473 return _IMP_isd.GaussianEMRestraint___repr__(self)
5477 return _object_cast_to_GaussianEMRestraint(o)
5480 def _get_as_binary(self):
5481 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5482 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5484 def _set_from_binary(self, p):
5485 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5486 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5488 def __getstate__(self):
5489 p = self._get_as_binary()
5490 if len(self.__dict__) > 1:
5491 d = self.__dict__.copy()
5496 def __setstate__(self, p):
5497 if not hasattr(self,
'this'):
5499 if isinstance(p, tuple):
5501 self.__dict__.update(d)
5502 return self._set_from_binary(p)
5506 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5507 class GaussianAnchorEMRestraint(ISDRestraint):
5508 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5510 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5512 def __init__(self, *args):
5513 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"""
5514 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5516 def get_density_particles(self):
5517 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5518 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5519 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5522 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5523 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5526 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5527 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5531 return _object_cast_to_GaussianAnchorEMRestraint(o)
5535 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5537 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5539 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5541 def __init__(self, *args):
5542 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5543 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5545 def evaluate_at(self, val):
5546 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5547 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5550 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5551 return _IMP_isd.GammaPrior_do_get_inputs(self)
5554 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5555 return _IMP_isd.GammaPrior_get_version_info(self)
5556 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5558 def get_probability(self):
5559 r"""get_probability(GammaPrior self) -> double"""
5560 return _IMP_isd.GammaPrior_get_probability(self)
5563 r"""__str__(GammaPrior self) -> std::string"""
5564 return _IMP_isd.GammaPrior___str__(self)
5567 r"""__repr__(GammaPrior self) -> std::string"""
5568 return _IMP_isd.GammaPrior___repr__(self)
5572 return _object_cast_to_GammaPrior(o)
5576 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5578 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5579 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5580 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5582 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5586 def __init__(self, *args):
5587 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"""
5588 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5590 def add_pairs_container(self, pc):
5591 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5592 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5594 def add_contribution_particles(self, ppis1, ppis2):
5595 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5596 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5598 def evaluate_for_contributions(self, c):
5599 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5600 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5602 def get_number_of_contributions(self):
5603 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5604 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5606 def set_sigma(self, sigma):
5607 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5608 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5610 def set_cutoff(self, cutoff):
5611 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5612 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5614 def set_max_score(self, max_score):
5615 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5616 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5618 def set_yi(self, yi):
5619 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5620 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5622 def set_interpolation_factor(self, interpolation_factor):
5623 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5624 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5626 def set_part_of_log_score(self, hey):
5627 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5628 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5631 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5632 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5635 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5636 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5637 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5640 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5641 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5644 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5645 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5649 return _object_cast_to_ResidueProteinProximityRestraint(o)
5653 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5655 def get_module_name():
5656 r"""get_module_name() -> std::string const"""
5657 return _IMP_isd.get_module_name()
5660 r"""get_module_version() -> std::string const"""
5661 return _IMP_isd.get_module_version()
5664 r"""get_example_path(std::string fname) -> std::string"""
5665 return _IMP_isd.get_example_path(fname)
5668 r"""get_data_path(std::string fname) -> std::string"""
5669 return _IMP_isd.get_data_path(fname)
5671 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.