14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_ISD_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_ISD_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_isd.delete_IMP_ISD_SwigPyIterator
77 r"""value(IMP_ISD_SwigPyIterator self) -> PyObject *"""
78 return _IMP_isd.IMP_ISD_SwigPyIterator_value(self)
81 r"""incr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
82 return _IMP_isd.IMP_ISD_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
86 return _IMP_isd.IMP_ISD_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_isd.IMP_ISD_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
94 return _IMP_isd.IMP_ISD_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_ISD_SwigPyIterator self) -> IMP_ISD_SwigPyIterator"""
98 return _IMP_isd.IMP_ISD_SwigPyIterator_copy(self)
101 r"""next(IMP_ISD_SwigPyIterator self) -> PyObject *"""
102 return _IMP_isd.IMP_ISD_SwigPyIterator_next(self)
105 r"""__next__(IMP_ISD_SwigPyIterator self) -> PyObject *"""
106 return _IMP_isd.IMP_ISD_SwigPyIterator___next__(self)
109 r"""previous(IMP_ISD_SwigPyIterator self) -> PyObject *"""
110 return _IMP_isd.IMP_ISD_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
114 return _IMP_isd.IMP_ISD_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
118 return _IMP_isd.IMP_ISD_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
122 return _IMP_isd.IMP_ISD_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
126 return _IMP_isd.IMP_ISD_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
130 return _IMP_isd.IMP_ISD_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
134 return _IMP_isd.IMP_ISD_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator
139 __sub__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_isd.IMP_ISD_SwigPyIterator___sub__(self, *args)
146 _IMP_isd.IMP_ISD_SwigPyIterator_swigregister(IMP_ISD_SwigPyIterator)
153 IMP_DEBUG = _IMP_isd.IMP_DEBUG
155 IMP_RELEASE = _IMP_isd.IMP_RELEASE
157 IMP_SILENT = _IMP_isd.IMP_SILENT
159 IMP_PROGRESS = _IMP_isd.IMP_PROGRESS
161 IMP_TERSE = _IMP_isd.IMP_TERSE
163 IMP_VERBOSE = _IMP_isd.IMP_VERBOSE
165 IMP_MEMORY = _IMP_isd.IMP_MEMORY
167 IMP_NONE = _IMP_isd.IMP_NONE
169 IMP_USAGE = _IMP_isd.IMP_USAGE
171 IMP_INTERNAL = _IMP_isd.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_isd.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_isd.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_isd.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_isd.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_isd.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_isd.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_isd.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_isd.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_isd.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_isd.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_isd._ostream_write(self, osa_buf)
238 _IMP_isd._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_isd.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_isd.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_isd.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_isd.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_isd.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_isd.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_isd.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_isd.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_isd.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_isd.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_isd.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_isd.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_isd.IMP_STATISTICS_HAS_IMP_CGAL
304 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
306 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
308 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_RANDOM
310 IMP_STATISTICS_HAS_CGAL = _IMP_isd.IMP_STATISTICS_HAS_CGAL
312 IMP_STATISTICS_HAS_NUMPY = _IMP_isd.IMP_STATISTICS_HAS_NUMPY
314 IMPSTATISTICS_SHOW_WARNINGS = _IMP_isd.IMPSTATISTICS_SHOW_WARNINGS
317 IMP_CORE_HAS_IMP_CGAL = _IMP_isd.IMP_CORE_HAS_IMP_CGAL
319 IMP_CORE_HAS_IMP_KERNEL = _IMP_isd.IMP_CORE_HAS_IMP_KERNEL
321 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CORE_HAS_BOOST_FILESYSTEM
323 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
325 IMP_CORE_HAS_BOOST_RANDOM = _IMP_isd.IMP_CORE_HAS_BOOST_RANDOM
327 IMP_CORE_HAS_CGAL = _IMP_isd.IMP_CORE_HAS_CGAL
329 IMP_CORE_HAS_HDF5 = _IMP_isd.IMP_CORE_HAS_HDF5
331 IMP_CORE_HAS_NUMPY = _IMP_isd.IMP_CORE_HAS_NUMPY
333 IMPCORE_SHOW_WARNINGS = _IMP_isd.IMPCORE_SHOW_WARNINGS
336 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_isd.IMP_CONTAINER_HAS_IMP_ALGEBRA
338 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_isd.IMP_CONTAINER_HAS_IMP_CGAL
340 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_isd.IMP_CONTAINER_HAS_IMP_DISPLAY
342 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_isd.IMP_CONTAINER_HAS_IMP_KERNEL
344 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
346 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
348 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
350 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_RANDOM
352 IMP_CONTAINER_HAS_CGAL = _IMP_isd.IMP_CONTAINER_HAS_CGAL
354 IMP_CONTAINER_HAS_HDF5 = _IMP_isd.IMP_CONTAINER_HAS_HDF5
356 IMP_CONTAINER_HAS_NUMPY = _IMP_isd.IMP_CONTAINER_HAS_NUMPY
358 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_isd.IMP_CONTAINER_HAS_PYTHON_IHM
360 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_isd.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
362 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_isd.IMP_CONTAINER_HAS_ROBIN_MAP
364 IMPCONTAINER_SHOW_WARNINGS = _IMP_isd.IMPCONTAINER_SHOW_WARNINGS
367 IMP_ATOM_HAS_IMP_CGAL = _IMP_isd.IMP_ATOM_HAS_IMP_CGAL
369 IMP_ATOM_HAS_IMP_KERNEL = _IMP_isd.IMP_ATOM_HAS_IMP_KERNEL
371 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
373 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
375 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_isd.IMP_ATOM_HAS_BOOST_RANDOM
377 IMP_ATOM_HAS_BOOST_REGEX = _IMP_isd.IMP_ATOM_HAS_BOOST_REGEX
379 IMP_ATOM_HAS_CGAL = _IMP_isd.IMP_ATOM_HAS_CGAL
381 IMP_ATOM_HAS_HDF5 = _IMP_isd.IMP_ATOM_HAS_HDF5
383 IMP_ATOM_HAS_NUMPY = _IMP_isd.IMP_ATOM_HAS_NUMPY
385 IMP_ATOM_HAS_PYTHON_IHM = _IMP_isd.IMP_ATOM_HAS_PYTHON_IHM
387 IMPATOM_SHOW_WARNINGS = _IMP_isd.IMPATOM_SHOW_WARNINGS
389 IMP_ATOM_TYPE_INDEX = _IMP_isd.IMP_ATOM_TYPE_INDEX
391 IMP_RESIDUE_TYPE_INDEX = _IMP_isd.IMP_RESIDUE_TYPE_INDEX
393 IMP_HIERARCHY_TYPE_INDEX = _IMP_isd.IMP_HIERARCHY_TYPE_INDEX
395 IMP_CHAIN_TYPE_INDEX = _IMP_isd.IMP_CHAIN_TYPE_INDEX
398 IMP_EM_HAS_IMP_CGAL = _IMP_isd.IMP_EM_HAS_IMP_CGAL
400 IMP_EM_HAS_IMP_CONTAINER = _IMP_isd.IMP_EM_HAS_IMP_CONTAINER
402 IMP_EM_HAS_IMP_DISPLAY = _IMP_isd.IMP_EM_HAS_IMP_DISPLAY
404 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_EM_HAS_IMP_SCORE_FUNCTOR
406 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_EM_HAS_BOOST_FILESYSTEM
408 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
410 IMP_EM_HAS_BOOST_RANDOM = _IMP_isd.IMP_EM_HAS_BOOST_RANDOM
412 IMP_EM_HAS_BOOST_REGEX = _IMP_isd.IMP_EM_HAS_BOOST_REGEX
414 IMP_EM_HAS_CGAL = _IMP_isd.IMP_EM_HAS_CGAL
416 IMP_EM_HAS_HDF5 = _IMP_isd.IMP_EM_HAS_HDF5
418 IMP_EM_HAS_NUMPY = _IMP_isd.IMP_EM_HAS_NUMPY
420 IMP_EM_HAS_PYTHON_IHM = _IMP_isd.IMP_EM_HAS_PYTHON_IHM
422 IMPEM_SHOW_WARNINGS = _IMP_isd.IMPEM_SHOW_WARNINGS
425 IMP_SAXS_HAS_IMP_CGAL = _IMP_isd.IMP_SAXS_HAS_IMP_CGAL
427 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_isd.IMP_SAXS_HAS_IMP_CONTAINER
429 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_isd.IMP_SAXS_HAS_IMP_DISPLAY
431 IMP_SAXS_HAS_IMP_KERNEL = _IMP_isd.IMP_SAXS_HAS_IMP_KERNEL
433 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
435 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SAXS_HAS_BOOST_FILESYSTEM
437 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
439 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_isd.IMP_SAXS_HAS_BOOST_RANDOM
441 IMP_SAXS_HAS_BOOST_REGEX = _IMP_isd.IMP_SAXS_HAS_BOOST_REGEX
443 IMP_SAXS_HAS_CGAL = _IMP_isd.IMP_SAXS_HAS_CGAL
445 IMP_SAXS_HAS_HDF5 = _IMP_isd.IMP_SAXS_HAS_HDF5
447 IMP_SAXS_HAS_NUMPY = _IMP_isd.IMP_SAXS_HAS_NUMPY
449 IMP_SAXS_HAS_PYTHON_IHM = _IMP_isd.IMP_SAXS_HAS_PYTHON_IHM
451 IMPSAXS_SHOW_WARNINGS = _IMP_isd.IMPSAXS_SHOW_WARNINGS
454 IMP_ISD_HAS_IMP_CGAL = _IMP_isd.IMP_ISD_HAS_IMP_CGAL
456 IMP_ISD_HAS_IMP_DISPLAY = _IMP_isd.IMP_ISD_HAS_IMP_DISPLAY
458 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
460 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ISD_HAS_BOOST_FILESYSTEM
462 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
464 IMP_ISD_HAS_BOOST_RANDOM = _IMP_isd.IMP_ISD_HAS_BOOST_RANDOM
466 IMP_ISD_HAS_BOOST_REGEX = _IMP_isd.IMP_ISD_HAS_BOOST_REGEX
468 IMP_ISD_HAS_CGAL = _IMP_isd.IMP_ISD_HAS_CGAL
470 IMP_ISD_HAS_HDF5 = _IMP_isd.IMP_ISD_HAS_HDF5
472 IMP_ISD_HAS_NUMPY = _IMP_isd.IMP_ISD_HAS_NUMPY
474 IMP_ISD_HAS_PYTHON_IHM = _IMP_isd.IMP_ISD_HAS_PYTHON_IHM
476 IMPISD_SHOW_WARNINGS = _IMP_isd.IMPISD_SHOW_WARNINGS
479 _object_types.append(
"ISDRestraint")
482 def _object_cast_to_ISDRestraint(o):
483 r"""_object_cast_to_ISDRestraint(Object o) -> ISDRestraint"""
484 return _IMP_isd._object_cast_to_ISDRestraint(o)
486 _object_types.append(
"CrossLinkMSRestraint")
489 def _object_cast_to_CrossLinkMSRestraint(o):
490 r"""_object_cast_to_CrossLinkMSRestraint(Object o) -> CrossLinkMSRestraint"""
491 return _IMP_isd._object_cast_to_CrossLinkMSRestraint(o)
493 _object_types.append(
"LogWrapper")
496 def _object_cast_to_LogWrapper(o):
497 r"""_object_cast_to_LogWrapper(Object o) -> LogWrapper"""
498 return _IMP_isd._object_cast_to_LogWrapper(o)
500 _object_types.append(
"UniformPrior")
503 def _object_cast_to_UniformPrior(o):
504 r"""_object_cast_to_UniformPrior(Object o) -> UniformPrior"""
505 return _IMP_isd._object_cast_to_UniformPrior(o)
507 _object_types.append(
"JeffreysRestraint")
510 def _object_cast_to_JeffreysRestraint(o):
511 r"""_object_cast_to_JeffreysRestraint(Object o) -> JeffreysRestraint"""
512 return _IMP_isd._object_cast_to_JeffreysRestraint(o)
514 _object_types.append(
"NormalSigmaPCRestraint")
517 def _object_cast_to_NormalSigmaPCRestraint(o):
518 r"""_object_cast_to_NormalSigmaPCRestraint(Object o) -> NormalSigmaPCRestraint"""
519 return _IMP_isd._object_cast_to_NormalSigmaPCRestraint(o)
521 _object_types.append(
"vonMisesKappaJeffreysRestraint")
524 def _object_cast_to_vonMisesKappaJeffreysRestraint(o):
525 r"""_object_cast_to_vonMisesKappaJeffreysRestraint(Object o) -> vonMisesKappaJeffreysRestraint"""
526 return _IMP_isd._object_cast_to_vonMisesKappaJeffreysRestraint(o)
528 _object_types.append(
"vonMisesKappaConjugateRestraint")
531 def _object_cast_to_vonMisesKappaConjugateRestraint(o):
532 r"""_object_cast_to_vonMisesKappaConjugateRestraint(Object o) -> vonMisesKappaConjugateRestraint"""
533 return _IMP_isd._object_cast_to_vonMisesKappaConjugateRestraint(o)
535 _object_types.append(
"Distribution")
538 def _object_cast_to_Distribution(o):
539 r"""_object_cast_to_Distribution(Object o) -> Distribution"""
540 return _IMP_isd._object_cast_to_Distribution(o)
542 _object_types.append(
"OneDimensionalDistribution")
545 def _object_cast_to_OneDimensionalDistribution(o):
546 r"""_object_cast_to_OneDimensionalDistribution(Object o) -> OneDimensionalDistribution"""
547 return _IMP_isd._object_cast_to_OneDimensionalDistribution(o)
549 _object_types.append(
"OneDimensionalSufficientDistribution")
552 def _object_cast_to_OneDimensionalSufficientDistribution(o):
553 r"""_object_cast_to_OneDimensionalSufficientDistribution(Object o) -> OneDimensionalSufficientDistribution"""
554 return _IMP_isd._object_cast_to_OneDimensionalSufficientDistribution(o)
556 _object_types.append(
"FNormal")
559 def _object_cast_to_FNormal(o):
560 r"""_object_cast_to_FNormal(Object o) -> FNormal"""
561 return _IMP_isd._object_cast_to_FNormal(o)
563 _object_types.append(
"FStudentT")
566 def _object_cast_to_FStudentT(o):
567 r"""_object_cast_to_FStudentT(Object o) -> FStudentT"""
568 return _IMP_isd._object_cast_to_FStudentT(o)
570 _object_types.append(
"vonMises")
573 def _object_cast_to_vonMises(o):
574 r"""_object_cast_to_vonMises(Object o) -> vonMises"""
575 return _IMP_isd._object_cast_to_vonMises(o)
577 _object_types.append(
"vonMisesSufficient")
580 def _object_cast_to_vonMisesSufficient(o):
581 r"""_object_cast_to_vonMisesSufficient(Object o) -> vonMisesSufficient"""
582 return _IMP_isd._object_cast_to_vonMisesSufficient(o)
584 _object_types.append(
"PenalizedComplexityPrior")
587 def _object_cast_to_PenalizedComplexityPrior(o):
588 r"""_object_cast_to_PenalizedComplexityPrior(Object o) -> PenalizedComplexityPrior"""
589 return _IMP_isd._object_cast_to_PenalizedComplexityPrior(o)
592 return [Nuisance(x)
for x
in l]
593 _plural_types.append(
"Nuisances")
596 _value_types.append(
"Nuisance")
600 return [Scale(x)
for x
in l]
601 _plural_types.append(
"Scales")
604 _value_types.append(
"Scale")
607 def Switchings(l=[]):
608 return [Switching(x)
for x
in l]
609 _plural_types.append(
"Switchings")
612 _value_types.append(
"Switching")
615 _object_types.append(
"NOERestraint")
618 def _object_cast_to_NOERestraint(o):
619 r"""_object_cast_to_NOERestraint(Object o) -> NOERestraint"""
620 return _IMP_isd._object_cast_to_NOERestraint(o)
623 return [Weight(x)
for x
in l]
624 _plural_types.append(
"Weights")
627 _value_types.append(
"Weight")
630 _object_types.append(
"GaussianRestraint")
633 def _object_cast_to_GaussianRestraint(o):
634 r"""_object_cast_to_GaussianRestraint(Object o) -> GaussianRestraint"""
635 return _IMP_isd._object_cast_to_GaussianRestraint(o)
637 _object_types.append(
"StudentTRestraint")
640 def _object_cast_to_StudentTRestraint(o):
641 r"""_object_cast_to_StudentTRestraint(Object o) -> StudentTRestraint"""
642 return _IMP_isd._object_cast_to_StudentTRestraint(o)
644 _object_types.append(
"LognormalRestraint")
647 def _object_cast_to_LognormalRestraint(o):
648 r"""_object_cast_to_LognormalRestraint(Object o) -> LognormalRestraint"""
649 return _IMP_isd._object_cast_to_LognormalRestraint(o)
651 _object_types.append(
"LognormalAmbiguousRestraint")
654 def _object_cast_to_LognormalAmbiguousRestraint(o):
655 r"""_object_cast_to_LognormalAmbiguousRestraint(Object o) -> LognormalAmbiguousRestraint"""
656 return _IMP_isd._object_cast_to_LognormalAmbiguousRestraint(o)
658 _object_types.append(
"AmbiguousNOERestraint")
661 def _object_cast_to_AmbiguousNOERestraint(o):
662 r"""_object_cast_to_AmbiguousNOERestraint(Object o) -> AmbiguousNOERestraint"""
663 return _IMP_isd._object_cast_to_AmbiguousNOERestraint(o)
665 _object_types.append(
"MarginalNOERestraint")
668 def _object_cast_to_MarginalNOERestraint(o):
669 r"""_object_cast_to_MarginalNOERestraint(Object o) -> MarginalNOERestraint"""
670 return _IMP_isd._object_cast_to_MarginalNOERestraint(o)
672 _object_types.append(
"MarginalHBondRestraint")
675 def _object_cast_to_MarginalHBondRestraint(o):
676 r"""_object_cast_to_MarginalHBondRestraint(Object o) -> MarginalHBondRestraint"""
677 return _IMP_isd._object_cast_to_MarginalHBondRestraint(o)
679 _object_types.append(
"TALOSRestraint")
682 def _object_cast_to_TALOSRestraint(o):
683 r"""_object_cast_to_TALOSRestraint(Object o) -> TALOSRestraint"""
684 return _IMP_isd._object_cast_to_TALOSRestraint(o)
686 _object_types.append(
"RepulsiveDistancePairScore")
689 def _object_cast_to_RepulsiveDistancePairScore(o):
690 r"""_object_cast_to_RepulsiveDistancePairScore(Object o) -> RepulsiveDistancePairScore"""
691 return _IMP_isd._object_cast_to_RepulsiveDistancePairScore(o)
693 _object_types.append(
"AmbiguousRestraint")
696 def _object_cast_to_AmbiguousRestraint(o):
697 r"""_object_cast_to_AmbiguousRestraint(Object o) -> AmbiguousRestraint"""
698 return _IMP_isd._object_cast_to_AmbiguousRestraint(o)
700 _object_types.append(
"UnivariateFunction")
703 def _object_cast_to_UnivariateFunction(o):
704 r"""_object_cast_to_UnivariateFunction(Object o) -> UnivariateFunction"""
705 return _IMP_isd._object_cast_to_UnivariateFunction(o)
707 _object_types.append(
"Linear1DFunction")
710 def _object_cast_to_Linear1DFunction(o):
711 r"""_object_cast_to_Linear1DFunction(Object o) -> Linear1DFunction"""
712 return _IMP_isd._object_cast_to_Linear1DFunction(o)
714 _object_types.append(
"GeneralizedGuinierPorodFunction")
717 def _object_cast_to_GeneralizedGuinierPorodFunction(o):
718 r"""_object_cast_to_GeneralizedGuinierPorodFunction(Object o) -> GeneralizedGuinierPorodFunction"""
719 return _IMP_isd._object_cast_to_GeneralizedGuinierPorodFunction(o)
721 _object_types.append(
"BivariateFunction")
724 def _object_cast_to_BivariateFunction(o):
725 r"""_object_cast_to_BivariateFunction(Object o) -> BivariateFunction"""
726 return _IMP_isd._object_cast_to_BivariateFunction(o)
728 _object_types.append(
"Covariance1DFunction")
731 def _object_cast_to_Covariance1DFunction(o):
732 r"""_object_cast_to_Covariance1DFunction(Object o) -> Covariance1DFunction"""
733 return _IMP_isd._object_cast_to_Covariance1DFunction(o)
735 _object_types.append(
"GaussianProcessInterpolation")
738 def _object_cast_to_GaussianProcessInterpolation(o):
739 r"""_object_cast_to_GaussianProcessInterpolation(Object o) -> GaussianProcessInterpolation"""
740 return _IMP_isd._object_cast_to_GaussianProcessInterpolation(o)
742 _object_types.append(
"GaussianProcessInterpolationRestraint")
745 def _object_cast_to_GaussianProcessInterpolationRestraint(o):
746 r"""_object_cast_to_GaussianProcessInterpolationRestraint(Object o) -> GaussianProcessInterpolationRestraint"""
747 return _IMP_isd._object_cast_to_GaussianProcessInterpolationRestraint(o)
749 _object_types.append(
"MolecularDynamics")
752 _object_types.append(
"MolecularDynamicsMover")
755 def _object_cast_to_MolecularDynamicsMover(o):
756 r"""_object_cast_to_MolecularDynamicsMover(Object o) -> MolecularDynamicsMover"""
757 return _IMP_isd._object_cast_to_MolecularDynamicsMover(o)
759 _object_types.append(
"HybridMonteCarlo")
762 def _object_cast_to_HybridMonteCarlo(o):
763 r"""_object_cast_to_HybridMonteCarlo(Object o) -> HybridMonteCarlo"""
764 return _IMP_isd._object_cast_to_HybridMonteCarlo(o)
766 _object_types.append(
"FretData")
769 def _object_cast_to_FretData(o):
770 r"""_object_cast_to_FretData(Object o) -> FretData"""
771 return _IMP_isd._object_cast_to_FretData(o)
773 _object_types.append(
"FretRestraint")
776 def _object_cast_to_FretRestraint(o):
777 r"""_object_cast_to_FretRestraint(Object o) -> FretRestraint"""
778 return _IMP_isd._object_cast_to_FretRestraint(o)
780 _object_types.append(
"CrossLinkData")
783 def _object_cast_to_CrossLinkData(o):
784 r"""_object_cast_to_CrossLinkData(Object o) -> CrossLinkData"""
785 return _IMP_isd._object_cast_to_CrossLinkData(o)
787 _object_types.append(
"CysteineCrossLinkData")
790 def _object_cast_to_CysteineCrossLinkData(o):
791 r"""_object_cast_to_CysteineCrossLinkData(Object o) -> CysteineCrossLinkData"""
792 return _IMP_isd._object_cast_to_CysteineCrossLinkData(o)
794 _object_types.append(
"CysteineCrossLinkRestraint")
797 def _object_cast_to_CysteineCrossLinkRestraint(o):
798 r"""_object_cast_to_CysteineCrossLinkRestraint(Object o) -> CysteineCrossLinkRestraint"""
799 return _IMP_isd._object_cast_to_CysteineCrossLinkRestraint(o)
801 _object_types.append(
"WeightMover")
804 def _object_cast_to_WeightMover(o):
805 r"""_object_cast_to_WeightMover(Object o) -> WeightMover"""
806 return _IMP_isd._object_cast_to_WeightMover(o)
808 _object_types.append(
"WeightRestraint")
811 def _object_cast_to_WeightRestraint(o):
812 r"""_object_cast_to_WeightRestraint(Object o) -> WeightRestraint"""
813 return _IMP_isd._object_cast_to_WeightRestraint(o)
815 _object_types.append(
"AtomicCrossLinkMSRestraint")
818 def _object_cast_to_AtomicCrossLinkMSRestraint(o):
819 r"""_object_cast_to_AtomicCrossLinkMSRestraint(Object o) -> AtomicCrossLinkMSRestraint"""
820 return _IMP_isd._object_cast_to_AtomicCrossLinkMSRestraint(o)
822 _object_types.append(
"GaussianEMRestraint")
825 def _object_cast_to_GaussianEMRestraint(o):
826 r"""_object_cast_to_GaussianEMRestraint(Object o) -> GaussianEMRestraint"""
827 return _IMP_isd._object_cast_to_GaussianEMRestraint(o)
829 _object_types.append(
"GaussianAnchorEMRestraint")
832 def _object_cast_to_GaussianAnchorEMRestraint(o):
833 r"""_object_cast_to_GaussianAnchorEMRestraint(Object o) -> GaussianAnchorEMRestraint"""
834 return _IMP_isd._object_cast_to_GaussianAnchorEMRestraint(o)
836 _object_types.append(
"GammaPrior")
839 def _object_cast_to_GammaPrior(o):
840 r"""_object_cast_to_GammaPrior(Object o) -> GammaPrior"""
841 return _IMP_isd._object_cast_to_GammaPrior(o)
843 _object_types.append(
"ResidueProteinProximityRestraint")
846 def _object_cast_to_ResidueProteinProximityRestraint(o):
847 r"""_object_cast_to_ResidueProteinProximityRestraint(Object o) -> ResidueProteinProximityRestraint"""
848 return _IMP_isd._object_cast_to_ResidueProteinProximityRestraint(o)
850 def create_model_and_particles():
855 for i
in range(0,100):
859 d.set_coordinates_are_optimized(
True)
863 r"""Proxy of C++ IMP::isd::ISDRestraint class."""
865 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
867 def __init__(self, m, name):
868 r"""__init__(ISDRestraint self, Model m, std::string name) -> ISDRestraint"""
869 if self.__class__ == ISDRestraint:
873 _IMP_isd.ISDRestraint_swiginit(self, _IMP_isd.new_ISDRestraint(_self, m, name))
875 if self.__class__ != ISDRestraint:
876 _director_objects.register(self)
881 def get_probability(self):
882 r"""get_probability(ISDRestraint self) -> double"""
883 return _IMP_isd.ISDRestraint_get_probability(self)
885 def unprotected_evaluate(self, accum):
886 r"""unprotected_evaluate(ISDRestraint self, DerivativeAccumulator accum) -> double"""
887 return _IMP_isd.ISDRestraint_unprotected_evaluate(self, accum)
890 r"""do_get_inputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
891 return _IMP_isd.ISDRestraint_do_get_inputs(self)
893 def get_type_name(self):
894 r"""get_type_name(ISDRestraint self) -> std::string"""
895 return _IMP_isd.ISDRestraint_get_type_name(self)
898 r"""get_version_info(ISDRestraint self) -> VersionInfo"""
899 return _IMP_isd.ISDRestraint_get_version_info(self)
900 __swig_destroy__ = _IMP_isd.delete_ISDRestraint
903 r"""__str__(ISDRestraint self) -> std::string"""
904 return _IMP_isd.ISDRestraint___str__(self)
907 r"""__repr__(ISDRestraint self) -> std::string"""
908 return _IMP_isd.ISDRestraint___repr__(self)
912 return _object_cast_to_ISDRestraint(o)
915 def do_show(self, out):
920 return _object_cast_to_ISDRestraint(o)
922 def __disown__(self):
924 _IMP_isd.disown_ISDRestraint(self)
925 return weakref.proxy(self)
928 r"""do_destroy(ISDRestraint self)"""
929 return _IMP_isd.ISDRestraint_do_destroy(self)
931 def handle_set_has_required_score_states(self, arg0):
932 r"""handle_set_has_required_score_states(ISDRestraint self, bool arg0)"""
933 return _IMP_isd.ISDRestraint_handle_set_has_required_score_states(self, arg0)
936 r"""do_get_outputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
937 return _IMP_isd.ISDRestraint_do_get_outputs(self)
939 def do_get_interactions(self):
940 r"""do_get_interactions(ISDRestraint self) -> IMP::ModelObjectsTemps"""
941 return _IMP_isd.ISDRestraint_do_get_interactions(self)
943 def do_create_decomposition(self):
944 r"""do_create_decomposition(ISDRestraint self) -> IMP::Restraints"""
945 return _IMP_isd.ISDRestraint_do_create_decomposition(self)
947 def do_create_current_decomposition(self):
948 r"""do_create_current_decomposition(ISDRestraint self) -> IMP::Restraints"""
949 return _IMP_isd.ISDRestraint_do_create_current_decomposition(self)
951 def do_add_score_and_derivatives(self, sa):
952 r"""do_add_score_and_derivatives(ISDRestraint self, ScoreAccumulator sa)"""
953 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives(self, sa)
955 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
956 r"""do_add_score_and_derivatives_moved(ISDRestraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
957 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
960 _IMP_isd.ISDRestraint_swigregister(ISDRestraint)
962 r"""Proxy of C++ IMP::isd::CrossLinkMSRestraint class."""
964 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
966 def __init__(self, *args):
968 __init__(CrossLinkMSRestraint self, Model m, double length, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
969 __init__(CrossLinkMSRestraint self, Model m, _ParticleIndexAdaptor lengthi, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
970 __init__(CrossLinkMSRestraint self, Model m, double length, double slope, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
971 __init__(CrossLinkMSRestraint self) -> CrossLinkMSRestraint
973 _IMP_isd.CrossLinkMSRestraint_swiginit(self, _IMP_isd.new_CrossLinkMSRestraint(*args))
975 def set_source_protein1(self, protein1):
976 r"""set_source_protein1(CrossLinkMSRestraint self, std::string protein1)"""
977 return _IMP_isd.CrossLinkMSRestraint_set_source_protein1(self, protein1)
979 def get_source_protein1(self):
980 r"""get_source_protein1(CrossLinkMSRestraint self) -> std::string"""
981 return _IMP_isd.CrossLinkMSRestraint_get_source_protein1(self)
983 def set_source_protein2(self, protein2):
984 r"""set_source_protein2(CrossLinkMSRestraint self, std::string protein2)"""
985 return _IMP_isd.CrossLinkMSRestraint_set_source_protein2(self, protein2)
987 def get_source_protein2(self):
988 r"""get_source_protein2(CrossLinkMSRestraint self) -> std::string"""
989 return _IMP_isd.CrossLinkMSRestraint_get_source_protein2(self)
991 def set_source_residue1(self, residue1):
992 r"""set_source_residue1(CrossLinkMSRestraint self, int residue1)"""
993 return _IMP_isd.CrossLinkMSRestraint_set_source_residue1(self, residue1)
995 def get_source_residue1(self):
996 r"""get_source_residue1(CrossLinkMSRestraint self) -> int"""
997 return _IMP_isd.CrossLinkMSRestraint_get_source_residue1(self)
999 def set_source_residue2(self, residue2):
1000 r"""set_source_residue2(CrossLinkMSRestraint self, int residue2)"""
1001 return _IMP_isd.CrossLinkMSRestraint_set_source_residue2(self, residue2)
1003 def get_source_residue2(self):
1004 r"""get_source_residue2(CrossLinkMSRestraint self) -> int"""
1005 return _IMP_isd.CrossLinkMSRestraint_get_source_residue2(self)
1007 def add_contribution(self, pps, sigmas, psi):
1008 r"""add_contribution(CrossLinkMSRestraint self, IMP::ParticleIndexPair const & pps, IMP::ParticleIndexPair const & sigmas, ParticleIndex psi)"""
1009 return _IMP_isd.CrossLinkMSRestraint_add_contribution(self, pps, sigmas, psi)
1011 def get_probability(self):
1012 r"""get_probability(CrossLinkMSRestraint self) -> double"""
1013 return _IMP_isd.CrossLinkMSRestraint_get_probability(self)
1015 def get_length(self):
1016 r"""get_length(CrossLinkMSRestraint self) -> double"""
1017 return _IMP_isd.CrossLinkMSRestraint_get_length(self)
1019 def get_is_length_variable(self):
1020 r"""get_is_length_variable(CrossLinkMSRestraint self) -> bool"""
1021 return _IMP_isd.CrossLinkMSRestraint_get_is_length_variable(self)
1023 def get_has_slope(self):
1024 r"""get_has_slope(CrossLinkMSRestraint self) -> bool"""
1025 return _IMP_isd.CrossLinkMSRestraint_get_has_slope(self)
1027 def get_slope(self):
1028 r"""get_slope(CrossLinkMSRestraint self) -> double"""
1029 return _IMP_isd.CrossLinkMSRestraint_get_slope(self)
1031 def get_log_prob(self):
1032 r"""get_log_prob(CrossLinkMSRestraint self) -> bool"""
1033 return _IMP_isd.CrossLinkMSRestraint_get_log_prob(self)
1035 def get_contribution_sigma_indexes(self, i):
1036 r"""get_contribution_sigma_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1037 return _IMP_isd.CrossLinkMSRestraint_get_contribution_sigma_indexes(self, i)
1039 def get_contribution_psi_index(self, i):
1040 r"""get_contribution_psi_index(CrossLinkMSRestraint self, int i) -> ParticleIndex"""
1041 return _IMP_isd.CrossLinkMSRestraint_get_contribution_psi_index(self, i)
1043 def get_contribution_particle_indexes(self, i):
1044 r"""get_contribution_particle_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1045 return _IMP_isd.CrossLinkMSRestraint_get_contribution_particle_indexes(self, i)
1047 def get_number_of_contributions(self):
1048 r"""get_number_of_contributions(CrossLinkMSRestraint self) -> unsigned int"""
1049 return _IMP_isd.CrossLinkMSRestraint_get_number_of_contributions(self)
1052 r"""do_get_inputs(CrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
1053 return _IMP_isd.CrossLinkMSRestraint_do_get_inputs(self)
1056 r"""get_version_info(CrossLinkMSRestraint self) -> VersionInfo"""
1057 return _IMP_isd.CrossLinkMSRestraint_get_version_info(self)
1058 __swig_destroy__ = _IMP_isd.delete_CrossLinkMSRestraint
1061 r"""__str__(CrossLinkMSRestraint self) -> std::string"""
1062 return _IMP_isd.CrossLinkMSRestraint___str__(self)
1065 r"""__repr__(CrossLinkMSRestraint self) -> std::string"""
1066 return _IMP_isd.CrossLinkMSRestraint___repr__(self)
1070 return _object_cast_to_CrossLinkMSRestraint(o)
1073 def _get_as_binary(self):
1074 r"""_get_as_binary(CrossLinkMSRestraint self) -> PyObject *"""
1075 return _IMP_isd.CrossLinkMSRestraint__get_as_binary(self)
1077 def _set_from_binary(self, p):
1078 r"""_set_from_binary(CrossLinkMSRestraint self, PyObject * p)"""
1079 return _IMP_isd.CrossLinkMSRestraint__set_from_binary(self, p)
1081 def __getstate__(self):
1082 p = self._get_as_binary()
1083 if len(self.__dict__) > 1:
1084 d = self.__dict__.copy()
1089 def __setstate__(self, p):
1090 if not hasattr(self,
'this'):
1092 if isinstance(p, tuple):
1094 self.__dict__.update(d)
1095 return self._set_from_binary(p)
1098 def _get_contributions_sigma_numpy(self):
1100 n = self.get_number_of_contributions()
1101 ret = numpy.empty((n, 2), int)
1103 ret[i] = self.get_contribution_sigma_indexes(i)
1106 def _get_contributions_psi_numpy(self):
1108 n = self.get_number_of_contributions()
1109 ret = numpy.empty(n, int)
1111 ret[i] = self.get_contribution_psi_index(i)
1114 def _get_contributions_particles_numpy(self):
1116 n = self.get_number_of_contributions()
1117 ret = numpy.empty((n, 2), int)
1119 ret[i] = self.get_contribution_particle_indexes(i)
1124 import jax.numpy
as jnp
1127 def sphere_cap(r1, r2, d):
1128 def short_range(r1, r2, d):
1129 return jax.lax.min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1130 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1131 def mid_range(r1, r2, d):
1132 return ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1133 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1134 + 6 * r1 * r2 - 3 * r2 * r2))
1135 def long_range(r1, r2, d):
1136 return jax.lax.cond(d >= r1 + r2,
lambda a,b,c: 0.,
1137 mid_range, r1, r2, d)
1138 return jax.lax.cond(
1139 d <= jnp.absolute(r1 - r2), short_range,
1140 long_range, r1, r2, d)
1142 def get_probability(xyz, r, scale, ps, ncontrib, sigma, psi, length,
1144 def short_range(length, dist, sigmai, sigmaj, voli, volj):
1145 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1146 * (length / 2.) * (length / 2.))
1147 return jax.lax.min(voli, xlvol), jax.lax.min(volj, xlvol)
1149 def long_range(length, dist, sigmai, sigmaj, voli, volj):
1150 di = dist - sigmaj - length / 2.
1151 dj = dist - sigmai - length / 2.
1152 return (sphere_cap(sigmai, length / 2., abs(di)),
1153 sphere_cap(sigmaj, length / 2., abs(dj)))
1155 def dist_diff(xyz, r, ps, k):
1156 return jnp.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1158 def dist_same(xyz, r, ps, k):
1163 return 36.0 / 35.0 * r[ps[k, 0]];
1166 for k
in range(ncontrib):
1167 dist = jax.lax.cond(ps[k, 0] == ps[k, 1], dist_same,
1168 dist_diff, xyz, r, ps, k)
1169 dist = jax.lax.max(dist, 0.0001)
1170 psik = scale[psi[k]]
1171 sigmai = scale[sigma[k, 0]]
1172 sigmaj = scale[sigma[k, 1]]
1174 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1175 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1177 fi, fj = jax.lax.cond(dist < sigmai + sigmaj,
1178 short_range, long_range, length,
1179 dist, sigmai, sigmaj, voli, volj)
1181 pofr = fi * fj / voli / volj
1182 if slope
is not None:
1183 prior = jnp.exp(-slope * dist)
1184 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1185 + pofr * (1 - psik)) * prior)
1187 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1188 + pofr * (1 - psik)))
1189 return 1.0 - onemprob
1191 if self.get_is_length_variable():
1192 raise NotImplementedError(
"Only implemented for fixed-length")
1193 sigma = self._get_contributions_sigma_numpy()
1194 psi = self._get_contributions_psi_numpy()
1195 pis = self._get_contributions_particles_numpy()
1196 get_log_prob = self.get_log_prob()
1197 length = self.get_length()
1198 ncontrib = len(sigma)
1199 slope = self.get_slope()
if self.get_has_slope()
else None
1201 def jax_restraint(X):
1202 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1203 ncontrib, sigma, psi, length, slope)
1205 return -jnp.log(prob)
1209 return self._wrap_jax(jax_restraint,
1212 def _get_python_evaluate(self):
1213 from numba
import njit
1218 def sphere_cap(r1, r2, d):
1220 if d <= max(r1, r2) - min(r1, r2):
1221 sc = min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1222 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1226 sc = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1227 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1228 + 6 * r1 * r2 - 3 * r2 * r2))
1232 def get_probability(xyz, scale, ps, ncontrib, sigma, psi, length,
1235 for k
in range(ncontrib):
1236 dist = numpy.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1239 psik = scale[psi[k]]
1240 sigmai = scale[sigma[k, 0]]
1241 sigmaj = scale[sigma[k, 1]]
1243 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1244 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1246 if dist < sigmai + sigmaj:
1247 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1248 * (length / 2.) * (length / 2))
1249 fi = min(voli, xlvol)
1250 fj = min(volj, xlvol)
1252 di = dist - sigmaj - length / 2.
1253 dj = dist - sigmai - length / 2.
1254 fi = sphere_cap(sigmai, length / 2., abs(di))
1255 fj = sphere_cap(sigmaj, length / 2., abs(dj))
1257 pofr = fi * fj / voli / volj
1258 if slope
is not None:
1259 prior = math.exp(slope * dist)
1260 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1261 + pofr * (1 - psik)) * prior)
1263 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1264 + pofr * (1 - psik)))
1265 return 1.0 - onemprob
1267 if self.get_is_length_variable():
1268 raise NotImplementedError(
"Only implemented for fixed-length")
1269 m = self.get_model()
1270 xyz, radius = m.get_spheres_numpy()
1272 sigma = self._get_contributions_sigma_numpy()
1273 psi = self._get_contributions_psi_numpy()
1274 pis = self._get_contributions_particles_numpy()
1275 get_log_prob = self.get_log_prob()
1276 length = self.get_length()
1277 ncontrib = len(sigma)
1278 slope = self.get_slope()
if self.get_has_slope()
else None
1282 prob = get_probability(xyz, scale, pis, ncontrib, sigma, psi,
1285 return -math.log(prob)
1293 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1295 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1299 def __init__(self, *args):
1301 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1302 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1303 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1304 __init__(LogWrapper self) -> LogWrapper
1306 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1308 def do_add_score_and_derivatives(self, sa):
1309 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1310 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1312 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1313 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1314 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1315 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1318 r"""__str__(LogWrapper self) -> std::string"""
1319 return _IMP_isd.LogWrapper___str__(self)
1322 r"""__repr__(LogWrapper self) -> std::string"""
1323 return _IMP_isd.LogWrapper___repr__(self)
1327 return _object_cast_to_LogWrapper(o)
1330 def _get_as_binary(self):
1331 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1332 return _IMP_isd.LogWrapper__get_as_binary(self)
1334 def _set_from_binary(self, p):
1335 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1336 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1338 def __getstate__(self):
1339 p = self._get_as_binary()
1340 if len(self.__dict__) > 1:
1341 d = self.__dict__.copy()
1346 def __setstate__(self, p):
1347 if not hasattr(self,
'this'):
1349 if isinstance(p, tuple):
1351 self.__dict__.update(d)
1352 return self._set_from_binary(p)
1356 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1358 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1360 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1362 def __init__(self, *args):
1364 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1365 __init__(UniformPrior self) -> UniformPrior
1367 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1370 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1371 return _IMP_isd.UniformPrior_do_get_inputs(self)
1374 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1375 return _IMP_isd.UniformPrior_get_version_info(self)
1376 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1378 def get_probability(self):
1379 r"""get_probability(UniformPrior self) -> double"""
1380 return _IMP_isd.UniformPrior_get_probability(self)
1383 r"""__str__(UniformPrior self) -> std::string"""
1384 return _IMP_isd.UniformPrior___str__(self)
1387 r"""__repr__(UniformPrior self) -> std::string"""
1388 return _IMP_isd.UniformPrior___repr__(self)
1392 return _object_cast_to_UniformPrior(o)
1395 def _get_as_binary(self):
1396 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1397 return _IMP_isd.UniformPrior__get_as_binary(self)
1399 def _set_from_binary(self, p):
1400 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1401 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1403 def __getstate__(self):
1404 p = self._get_as_binary()
1405 if len(self.__dict__) > 1:
1406 d = self.__dict__.copy()
1411 def __setstate__(self, p):
1412 if not hasattr(self,
'this'):
1414 if isinstance(p, tuple):
1416 self.__dict__.update(d)
1417 return self._set_from_binary(p)
1421 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1423 r"""Proxy of C++ IMP::isd::Nuisance class."""
1425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1427 def __init__(self, *args):
1429 __init__(Nuisance self) -> Nuisance
1430 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1431 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1433 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1435 def show(self, *args):
1436 r"""show(Nuisance self, _ostream out=std::cout)"""
1437 return _IMP_isd.Nuisance_show(self, *args)
1440 def setup_particle(*args):
1442 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1443 setup_particle(_ParticleAdaptor pa) -> Nuisance
1444 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1445 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1447 return _IMP_isd.Nuisance_setup_particle(*args)
1450 def get_is_setup(*args):
1452 get_is_setup(_ParticleAdaptor p) -> bool
1453 get_is_setup(Model m, ParticleIndex pi) -> bool
1455 return _IMP_isd.Nuisance_get_is_setup(*args)
1458 def get_nuisance_key():
1459 r"""get_nuisance_key() -> FloatKey"""
1460 return _IMP_isd.Nuisance_get_nuisance_key()
1462 def get_nuisance(self):
1463 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1464 return _IMP_isd.Nuisance_get_nuisance(self)
1466 def set_nuisance(self, d):
1467 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1468 return _IMP_isd.Nuisance_set_nuisance(self, d)
1470 def get_has_lower(self):
1471 r"""get_has_lower(Nuisance self) -> bool"""
1472 return _IMP_isd.Nuisance_get_has_lower(self)
1474 def get_lower(self):
1475 r"""get_lower(Nuisance self) -> IMP::Float"""
1476 return _IMP_isd.Nuisance_get_lower(self)
1479 def get_lower_key():
1480 r"""get_lower_key() -> FloatKey"""
1481 return _IMP_isd.Nuisance_get_lower_key()
1484 def get_lower_particle_key():
1485 r"""get_lower_particle_key() -> ParticleIndexKey"""
1486 return _IMP_isd.Nuisance_get_lower_particle_key()
1488 def set_lower(self, *args):
1490 set_lower(Nuisance self, IMP::Float d)
1491 set_lower(Nuisance self, Particle d)
1493 return _IMP_isd.Nuisance_set_lower(self, *args)
1495 def remove_lower(self):
1496 r"""remove_lower(Nuisance self)"""
1497 return _IMP_isd.Nuisance_remove_lower(self)
1499 def get_has_upper(self):
1500 r"""get_has_upper(Nuisance self) -> bool"""
1501 return _IMP_isd.Nuisance_get_has_upper(self)
1503 def get_upper(self):
1504 r"""get_upper(Nuisance self) -> IMP::Float"""
1505 return _IMP_isd.Nuisance_get_upper(self)
1508 def get_upper_key():
1509 r"""get_upper_key() -> FloatKey"""
1510 return _IMP_isd.Nuisance_get_upper_key()
1513 def get_upper_particle_key():
1514 r"""get_upper_particle_key() -> ParticleIndexKey"""
1515 return _IMP_isd.Nuisance_get_upper_particle_key()
1517 def set_upper(self, *args):
1519 set_upper(Nuisance self, IMP::Float d)
1520 set_upper(Nuisance self, Particle d)
1522 return _IMP_isd.Nuisance_set_upper(self, *args)
1524 def remove_upper(self):
1525 r"""remove_upper(Nuisance self)"""
1526 return _IMP_isd.Nuisance_remove_upper(self)
1528 def get_nuisance_derivative(self):
1529 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1530 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1532 def add_to_nuisance_derivative(self, d, accum):
1533 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1534 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1536 def get_nuisance_is_optimized(self):
1537 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1538 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1540 def set_nuisance_is_optimized(self, val):
1541 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1542 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1544 def add_attribute(self, *args):
1546 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1547 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1548 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1549 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1550 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1551 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1552 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1553 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1554 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1555 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1556 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1557 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1559 return _IMP_isd.Nuisance_add_attribute(self, *args)
1561 def get_value(self, *args):
1563 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1564 get_value(Nuisance self, IntKey a0) -> IMP::Int
1565 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1566 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1567 get_value(Nuisance self, StringKey a0) -> IMP::String
1568 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1569 get_value(Nuisance self, ObjectKey a0) -> Object
1570 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1571 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1572 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1573 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1575 return _IMP_isd.Nuisance_get_value(self, *args)
1577 def set_value(self, *args):
1579 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1580 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1581 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1582 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1583 set_value(Nuisance self, StringKey a0, IMP::String a1)
1584 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1585 set_value(Nuisance self, ObjectKey a0, Object a1)
1586 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1587 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1588 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1589 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1591 return _IMP_isd.Nuisance_set_value(self, *args)
1593 def remove_attribute(self, *args):
1595 remove_attribute(Nuisance self, FloatKey a0)
1596 remove_attribute(Nuisance self, IntKey a0)
1597 remove_attribute(Nuisance self, FloatsKey a0)
1598 remove_attribute(Nuisance self, IntsKey a0)
1599 remove_attribute(Nuisance self, StringKey a0)
1600 remove_attribute(Nuisance self, ParticleIndexKey a0)
1601 remove_attribute(Nuisance self, ObjectKey a0)
1602 remove_attribute(Nuisance self, SparseFloatKey a0)
1603 remove_attribute(Nuisance self, SparseIntKey a0)
1604 remove_attribute(Nuisance self, SparseStringKey a0)
1605 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1607 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1609 def has_attribute(self, *args):
1611 has_attribute(Nuisance self, FloatKey a0) -> bool
1612 has_attribute(Nuisance self, IntKey a0) -> bool
1613 has_attribute(Nuisance self, FloatsKey a0) -> bool
1614 has_attribute(Nuisance self, IntsKey a0) -> bool
1615 has_attribute(Nuisance self, StringKey a0) -> bool
1616 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1617 has_attribute(Nuisance self, ObjectKey a0) -> bool
1618 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1619 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1620 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1621 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1623 return _IMP_isd.Nuisance_has_attribute(self, *args)
1625 def get_derivative(self, a0):
1626 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1627 return _IMP_isd.Nuisance_get_derivative(self, a0)
1630 r"""get_name(Nuisance self) -> std::string"""
1631 return _IMP_isd.Nuisance_get_name(self)
1634 r"""clear_caches(Nuisance self)"""
1635 return _IMP_isd.Nuisance_clear_caches(self)
1637 def set_name(self, a0):
1638 r"""set_name(Nuisance self, std::string a0)"""
1639 return _IMP_isd.Nuisance_set_name(self, a0)
1642 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1643 return _IMP_isd.Nuisance_set_check_level(self, a0)
1645 def add_to_derivative(self, a0, a1, a2):
1646 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1647 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1649 def set_is_optimized(self, a0, a1):
1650 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1651 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1653 def get_is_optimized(self, a0):
1654 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1655 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1657 def get_check_level(self):
1658 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1659 return _IMP_isd.Nuisance_get_check_level(self)
1661 def __eq__(self, *args):
1663 __eq__(Nuisance self, Nuisance o) -> bool
1664 __eq__(Nuisance self, Particle d) -> bool
1666 return _IMP_isd.Nuisance___eq__(self, *args)
1668 def __ne__(self, *args):
1670 __ne__(Nuisance self, Nuisance o) -> bool
1671 __ne__(Nuisance self, Particle d) -> bool
1673 return _IMP_isd.Nuisance___ne__(self, *args)
1675 def __le__(self, *args):
1677 __le__(Nuisance self, Nuisance o) -> bool
1678 __le__(Nuisance self, Particle d) -> bool
1680 return _IMP_isd.Nuisance___le__(self, *args)
1682 def __lt__(self, *args):
1684 __lt__(Nuisance self, Nuisance o) -> bool
1685 __lt__(Nuisance self, Particle d) -> bool
1687 return _IMP_isd.Nuisance___lt__(self, *args)
1689 def __ge__(self, *args):
1691 __ge__(Nuisance self, Nuisance o) -> bool
1692 __ge__(Nuisance self, Particle d) -> bool
1694 return _IMP_isd.Nuisance___ge__(self, *args)
1696 def __gt__(self, *args):
1698 __gt__(Nuisance self, Nuisance o) -> bool
1699 __gt__(Nuisance self, Particle d) -> bool
1701 return _IMP_isd.Nuisance___gt__(self, *args)
1704 r"""__hash__(Nuisance self) -> std::size_t"""
1705 return _IMP_isd.Nuisance___hash__(self)
1708 r"""__str__(Nuisance self) -> std::string"""
1709 return _IMP_isd.Nuisance___str__(self)
1712 r"""__repr__(Nuisance self) -> std::string"""
1713 return _IMP_isd.Nuisance___repr__(self)
1715 def _get_as_binary(self):
1716 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1717 return _IMP_isd.Nuisance__get_as_binary(self)
1719 def _set_from_binary(self, p):
1720 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1721 return _IMP_isd.Nuisance__set_from_binary(self, p)
1723 def __getstate__(self):
1724 p = self._get_as_binary()
1725 if len(self.__dict__) > 1:
1726 d = self.__dict__.copy()
1731 def __setstate__(self, p):
1732 if not hasattr(self,
'this'):
1734 if isinstance(p, tuple):
1736 self.__dict__.update(d)
1737 return self._set_from_binary(p)
1739 __swig_destroy__ = _IMP_isd.delete_Nuisance
1742 _IMP_isd.Nuisance_swigregister(Nuisance)
1743 class Scale(Nuisance):
1744 r"""Proxy of C++ IMP::isd::Scale class."""
1746 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1748 def __init__(self, *args):
1750 __init__(Scale self) -> Scale
1751 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1752 __init__(Scale self, _ParticleAdaptor d) -> Scale
1754 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1756 def show(self, *args):
1757 r"""show(Scale self, _ostream out=std::cout)"""
1758 return _IMP_isd.Scale_show(self, *args)
1761 def setup_particle(*args):
1763 setup_particle(Model m, ParticleIndex pi) -> Scale
1764 setup_particle(_ParticleAdaptor pa) -> Scale
1765 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1766 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1768 return _IMP_isd.Scale_setup_particle(*args)
1771 def get_is_setup(*args):
1773 get_is_setup(_ParticleAdaptor p) -> bool
1774 get_is_setup(Model m, ParticleIndex pi) -> bool
1776 return _IMP_isd.Scale_get_is_setup(*args)
1778 def get_scale(self):
1779 r"""get_scale(Scale self) -> IMP::Float"""
1780 return _IMP_isd.Scale_get_scale(self)
1782 def set_scale(self, d):
1783 r"""set_scale(Scale self, IMP::Float d)"""
1784 return _IMP_isd.Scale_set_scale(self, d)
1786 def add_to_scale_derivative(self, d, accum):
1787 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1788 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1790 def get_scale_derivative(self):
1791 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1792 return _IMP_isd.Scale_get_scale_derivative(self)
1795 def get_scale_key():
1796 r"""get_scale_key() -> FloatKey"""
1797 return _IMP_isd.Scale_get_scale_key()
1799 def get_scale_is_optimized(self):
1800 r"""get_scale_is_optimized(Scale self) -> bool"""
1801 return _IMP_isd.Scale_get_scale_is_optimized(self)
1803 def set_scale_is_optimized(self, val):
1804 r"""set_scale_is_optimized(Scale self, bool val)"""
1805 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1807 def add_attribute(self, *args):
1809 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1810 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1811 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1812 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1813 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1814 add_attribute(Scale self, StringKey a0, IMP::String a1)
1815 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1816 add_attribute(Scale self, ObjectKey a0, Object a1)
1817 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1818 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1819 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1820 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1822 return _IMP_isd.Scale_add_attribute(self, *args)
1824 def get_value(self, *args):
1826 get_value(Scale self, FloatKey a0) -> IMP::Float
1827 get_value(Scale self, IntKey a0) -> IMP::Int
1828 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1829 get_value(Scale self, IntsKey a0) -> IMP::Ints
1830 get_value(Scale self, StringKey a0) -> IMP::String
1831 get_value(Scale self, ParticleIndexKey a0) -> Particle
1832 get_value(Scale self, ObjectKey a0) -> Object
1833 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1834 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1835 get_value(Scale self, SparseStringKey a0) -> IMP::String
1836 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1838 return _IMP_isd.Scale_get_value(self, *args)
1840 def set_value(self, *args):
1842 set_value(Scale self, FloatKey a0, IMP::Float a1)
1843 set_value(Scale self, IntKey a0, IMP::Int a1)
1844 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1845 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1846 set_value(Scale self, StringKey a0, IMP::String a1)
1847 set_value(Scale self, ParticleIndexKey a0, Particle a1)
1848 set_value(Scale self, ObjectKey a0, Object a1)
1849 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
1850 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
1851 set_value(Scale self, SparseStringKey a0, IMP::String a1)
1852 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1854 return _IMP_isd.Scale_set_value(self, *args)
1856 def remove_attribute(self, *args):
1858 remove_attribute(Scale self, FloatKey a0)
1859 remove_attribute(Scale self, IntKey a0)
1860 remove_attribute(Scale self, FloatsKey a0)
1861 remove_attribute(Scale self, IntsKey a0)
1862 remove_attribute(Scale self, StringKey a0)
1863 remove_attribute(Scale self, ParticleIndexKey a0)
1864 remove_attribute(Scale self, ObjectKey a0)
1865 remove_attribute(Scale self, SparseFloatKey a0)
1866 remove_attribute(Scale self, SparseIntKey a0)
1867 remove_attribute(Scale self, SparseStringKey a0)
1868 remove_attribute(Scale self, SparseParticleIndexKey a0)
1870 return _IMP_isd.Scale_remove_attribute(self, *args)
1872 def has_attribute(self, *args):
1874 has_attribute(Scale self, FloatKey a0) -> bool
1875 has_attribute(Scale self, IntKey a0) -> bool
1876 has_attribute(Scale self, FloatsKey a0) -> bool
1877 has_attribute(Scale self, IntsKey a0) -> bool
1878 has_attribute(Scale self, StringKey a0) -> bool
1879 has_attribute(Scale self, ParticleIndexKey a0) -> bool
1880 has_attribute(Scale self, ObjectKey a0) -> bool
1881 has_attribute(Scale self, SparseFloatKey a0) -> bool
1882 has_attribute(Scale self, SparseIntKey a0) -> bool
1883 has_attribute(Scale self, SparseStringKey a0) -> bool
1884 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
1886 return _IMP_isd.Scale_has_attribute(self, *args)
1888 def get_derivative(self, a0):
1889 r"""get_derivative(Scale self, FloatKey a0) -> double"""
1890 return _IMP_isd.Scale_get_derivative(self, a0)
1893 r"""get_name(Scale self) -> std::string"""
1894 return _IMP_isd.Scale_get_name(self)
1897 r"""clear_caches(Scale self)"""
1898 return _IMP_isd.Scale_clear_caches(self)
1900 def set_name(self, a0):
1901 r"""set_name(Scale self, std::string a0)"""
1902 return _IMP_isd.Scale_set_name(self, a0)
1905 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
1906 return _IMP_isd.Scale_set_check_level(self, a0)
1908 def add_to_derivative(self, a0, a1, a2):
1909 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1910 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
1912 def set_is_optimized(self, a0, a1):
1913 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
1914 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
1916 def get_is_optimized(self, a0):
1917 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
1918 return _IMP_isd.Scale_get_is_optimized(self, a0)
1920 def get_check_level(self):
1921 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
1922 return _IMP_isd.Scale_get_check_level(self)
1924 def __eq__(self, *args):
1926 __eq__(Scale self, Scale o) -> bool
1927 __eq__(Scale self, Particle d) -> bool
1929 return _IMP_isd.Scale___eq__(self, *args)
1931 def __ne__(self, *args):
1933 __ne__(Scale self, Scale o) -> bool
1934 __ne__(Scale self, Particle d) -> bool
1936 return _IMP_isd.Scale___ne__(self, *args)
1938 def __le__(self, *args):
1940 __le__(Scale self, Scale o) -> bool
1941 __le__(Scale self, Particle d) -> bool
1943 return _IMP_isd.Scale___le__(self, *args)
1945 def __lt__(self, *args):
1947 __lt__(Scale self, Scale o) -> bool
1948 __lt__(Scale self, Particle d) -> bool
1950 return _IMP_isd.Scale___lt__(self, *args)
1952 def __ge__(self, *args):
1954 __ge__(Scale self, Scale o) -> bool
1955 __ge__(Scale self, Particle d) -> bool
1957 return _IMP_isd.Scale___ge__(self, *args)
1959 def __gt__(self, *args):
1961 __gt__(Scale self, Scale o) -> bool
1962 __gt__(Scale self, Particle d) -> bool
1964 return _IMP_isd.Scale___gt__(self, *args)
1967 r"""__hash__(Scale self) -> std::size_t"""
1968 return _IMP_isd.Scale___hash__(self)
1971 r"""__str__(Scale self) -> std::string"""
1972 return _IMP_isd.Scale___str__(self)
1975 r"""__repr__(Scale self) -> std::string"""
1976 return _IMP_isd.Scale___repr__(self)
1978 def _get_as_binary(self):
1979 r"""_get_as_binary(Scale self) -> PyObject *"""
1980 return _IMP_isd.Scale__get_as_binary(self)
1982 def _set_from_binary(self, p):
1983 r"""_set_from_binary(Scale self, PyObject * p)"""
1984 return _IMP_isd.Scale__set_from_binary(self, p)
1986 def __getstate__(self):
1987 p = self._get_as_binary()
1988 if len(self.__dict__) > 1:
1989 d = self.__dict__.copy()
1994 def __setstate__(self, p):
1995 if not hasattr(self,
'this'):
1997 if isinstance(p, tuple):
1999 self.__dict__.update(d)
2000 return self._set_from_binary(p)
2002 __swig_destroy__ = _IMP_isd.delete_Scale
2005 _IMP_isd.Scale_swigregister(Scale)
2006 class Switching(Nuisance):
2007 r"""Proxy of C++ IMP::isd::Switching class."""
2009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2011 def __init__(self, *args):
2013 __init__(Switching self) -> Switching
2014 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2015 __init__(Switching self, _ParticleAdaptor d) -> Switching
2017 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2019 def show(self, *args):
2020 r"""show(Switching self, _ostream out=std::cout)"""
2021 return _IMP_isd.Switching_show(self, *args)
2024 def setup_particle(*args):
2026 setup_particle(Model m, ParticleIndex pi) -> Switching
2027 setup_particle(_ParticleAdaptor pa) -> Switching
2028 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2029 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2031 return _IMP_isd.Switching_setup_particle(*args)
2034 def get_is_setup(*args):
2036 get_is_setup(_ParticleAdaptor p) -> bool
2037 get_is_setup(Model m, ParticleIndex pi) -> bool
2039 return _IMP_isd.Switching_get_is_setup(*args)
2041 def get_switching(self):
2042 r"""get_switching(Switching self) -> IMP::Float"""
2043 return _IMP_isd.Switching_get_switching(self)
2045 def set_switching(self, d):
2046 r"""set_switching(Switching self, IMP::Float d)"""
2047 return _IMP_isd.Switching_set_switching(self, d)
2049 def add_to_switching_derivative(self, d, accum):
2050 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2051 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2053 def get_switching_derivative(self):
2054 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2055 return _IMP_isd.Switching_get_switching_derivative(self)
2058 def get_switching_key():
2059 r"""get_switching_key() -> FloatKey"""
2060 return _IMP_isd.Switching_get_switching_key()
2062 def get_switching_is_optimized(self):
2063 r"""get_switching_is_optimized(Switching self) -> bool"""
2064 return _IMP_isd.Switching_get_switching_is_optimized(self)
2066 def set_switching_is_optimized(self, val):
2067 r"""set_switching_is_optimized(Switching self, bool val)"""
2068 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2070 def add_attribute(self, *args):
2072 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2073 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2074 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2075 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2076 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2077 add_attribute(Switching self, StringKey a0, IMP::String a1)
2078 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2079 add_attribute(Switching self, ObjectKey a0, Object a1)
2080 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2081 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2082 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2083 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2085 return _IMP_isd.Switching_add_attribute(self, *args)
2087 def get_value(self, *args):
2089 get_value(Switching self, FloatKey a0) -> IMP::Float
2090 get_value(Switching self, IntKey a0) -> IMP::Int
2091 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2092 get_value(Switching self, IntsKey a0) -> IMP::Ints
2093 get_value(Switching self, StringKey a0) -> IMP::String
2094 get_value(Switching self, ParticleIndexKey a0) -> Particle
2095 get_value(Switching self, ObjectKey a0) -> Object
2096 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2097 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2098 get_value(Switching self, SparseStringKey a0) -> IMP::String
2099 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2101 return _IMP_isd.Switching_get_value(self, *args)
2103 def set_value(self, *args):
2105 set_value(Switching self, FloatKey a0, IMP::Float a1)
2106 set_value(Switching self, IntKey a0, IMP::Int a1)
2107 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2108 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2109 set_value(Switching self, StringKey a0, IMP::String a1)
2110 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2111 set_value(Switching self, ObjectKey a0, Object a1)
2112 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2113 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2114 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2115 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2117 return _IMP_isd.Switching_set_value(self, *args)
2119 def remove_attribute(self, *args):
2121 remove_attribute(Switching self, FloatKey a0)
2122 remove_attribute(Switching self, IntKey a0)
2123 remove_attribute(Switching self, FloatsKey a0)
2124 remove_attribute(Switching self, IntsKey a0)
2125 remove_attribute(Switching self, StringKey a0)
2126 remove_attribute(Switching self, ParticleIndexKey a0)
2127 remove_attribute(Switching self, ObjectKey a0)
2128 remove_attribute(Switching self, SparseFloatKey a0)
2129 remove_attribute(Switching self, SparseIntKey a0)
2130 remove_attribute(Switching self, SparseStringKey a0)
2131 remove_attribute(Switching self, SparseParticleIndexKey a0)
2133 return _IMP_isd.Switching_remove_attribute(self, *args)
2135 def has_attribute(self, *args):
2137 has_attribute(Switching self, FloatKey a0) -> bool
2138 has_attribute(Switching self, IntKey a0) -> bool
2139 has_attribute(Switching self, FloatsKey a0) -> bool
2140 has_attribute(Switching self, IntsKey a0) -> bool
2141 has_attribute(Switching self, StringKey a0) -> bool
2142 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2143 has_attribute(Switching self, ObjectKey a0) -> bool
2144 has_attribute(Switching self, SparseFloatKey a0) -> bool
2145 has_attribute(Switching self, SparseIntKey a0) -> bool
2146 has_attribute(Switching self, SparseStringKey a0) -> bool
2147 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2149 return _IMP_isd.Switching_has_attribute(self, *args)
2151 def get_derivative(self, a0):
2152 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2153 return _IMP_isd.Switching_get_derivative(self, a0)
2156 r"""get_name(Switching self) -> std::string"""
2157 return _IMP_isd.Switching_get_name(self)
2160 r"""clear_caches(Switching self)"""
2161 return _IMP_isd.Switching_clear_caches(self)
2163 def set_name(self, a0):
2164 r"""set_name(Switching self, std::string a0)"""
2165 return _IMP_isd.Switching_set_name(self, a0)
2168 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2169 return _IMP_isd.Switching_set_check_level(self, a0)
2171 def add_to_derivative(self, a0, a1, a2):
2172 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2173 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2175 def set_is_optimized(self, a0, a1):
2176 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2177 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2179 def get_is_optimized(self, a0):
2180 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2181 return _IMP_isd.Switching_get_is_optimized(self, a0)
2183 def get_check_level(self):
2184 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2185 return _IMP_isd.Switching_get_check_level(self)
2187 def __eq__(self, *args):
2189 __eq__(Switching self, Switching o) -> bool
2190 __eq__(Switching self, Particle d) -> bool
2192 return _IMP_isd.Switching___eq__(self, *args)
2194 def __ne__(self, *args):
2196 __ne__(Switching self, Switching o) -> bool
2197 __ne__(Switching self, Particle d) -> bool
2199 return _IMP_isd.Switching___ne__(self, *args)
2201 def __le__(self, *args):
2203 __le__(Switching self, Switching o) -> bool
2204 __le__(Switching self, Particle d) -> bool
2206 return _IMP_isd.Switching___le__(self, *args)
2208 def __lt__(self, *args):
2210 __lt__(Switching self, Switching o) -> bool
2211 __lt__(Switching self, Particle d) -> bool
2213 return _IMP_isd.Switching___lt__(self, *args)
2215 def __ge__(self, *args):
2217 __ge__(Switching self, Switching o) -> bool
2218 __ge__(Switching self, Particle d) -> bool
2220 return _IMP_isd.Switching___ge__(self, *args)
2222 def __gt__(self, *args):
2224 __gt__(Switching self, Switching o) -> bool
2225 __gt__(Switching self, Particle d) -> bool
2227 return _IMP_isd.Switching___gt__(self, *args)
2230 r"""__hash__(Switching self) -> std::size_t"""
2231 return _IMP_isd.Switching___hash__(self)
2234 r"""__str__(Switching self) -> std::string"""
2235 return _IMP_isd.Switching___str__(self)
2238 r"""__repr__(Switching self) -> std::string"""
2239 return _IMP_isd.Switching___repr__(self)
2241 def _get_as_binary(self):
2242 r"""_get_as_binary(Switching self) -> PyObject *"""
2243 return _IMP_isd.Switching__get_as_binary(self)
2245 def _set_from_binary(self, p):
2246 r"""_set_from_binary(Switching self, PyObject * p)"""
2247 return _IMP_isd.Switching__set_from_binary(self, p)
2249 def __getstate__(self):
2250 p = self._get_as_binary()
2251 if len(self.__dict__) > 1:
2252 d = self.__dict__.copy()
2257 def __setstate__(self, p):
2258 if not hasattr(self,
'this'):
2260 if isinstance(p, tuple):
2262 self.__dict__.update(d)
2263 return self._set_from_binary(p)
2265 __swig_destroy__ = _IMP_isd.delete_Switching
2268 _IMP_isd.Switching_swigregister(Switching)
2270 r"""Proxy of C++ IMP::isd::Weight class."""
2272 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2274 def __init__(self, *args):
2276 __init__(Weight self) -> Weight
2277 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2278 __init__(Weight self, _ParticleAdaptor d) -> Weight
2280 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2282 def show(self, *args):
2283 r"""show(Weight self, _ostream out=std::cout)"""
2284 return _IMP_isd.Weight_show(self, *args)
2287 def setup_particle(*args):
2289 setup_particle(Model m, ParticleIndex pi) -> Weight
2290 setup_particle(_ParticleAdaptor pa) -> Weight
2291 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2292 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2293 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2294 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2296 return _IMP_isd.Weight_setup_particle(*args)
2299 def get_number_of_weights_key():
2300 r"""get_number_of_weights_key() -> IntKey"""
2301 return _IMP_isd.Weight_get_number_of_weights_key()
2304 def get_weight_key(i):
2305 r"""get_weight_key(int i) -> FloatKey"""
2306 return _IMP_isd.Weight_get_weight_key(i)
2308 def get_weight_keys(self):
2309 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2310 return _IMP_isd.Weight_get_weight_keys(self)
2312 def get_weight(self, i):
2313 r"""get_weight(Weight self, int i) -> IMP::Float"""
2314 return _IMP_isd.Weight_get_weight(self, i)
2316 def get_weights(self):
2317 r"""get_weights(Weight self) -> VectorKD"""
2318 return _IMP_isd.Weight_get_weights(self)
2320 def set_weight_lazy(self, i, wi):
2321 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2322 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2324 def set_weights_lazy(self, w):
2325 r"""set_weights_lazy(Weight self, VectorKD w)"""
2326 return _IMP_isd.Weight_set_weights_lazy(self, w)
2328 def set_weights(self, w):
2329 r"""set_weights(Weight self, VectorKD w)"""
2330 return _IMP_isd.Weight_set_weights(self, w)
2332 def get_weights_are_optimized(self):
2333 r"""get_weights_are_optimized(Weight self) -> bool"""
2334 return _IMP_isd.Weight_get_weights_are_optimized(self)
2336 def set_weights_are_optimized(self, tf):
2337 r"""set_weights_are_optimized(Weight self, bool tf)"""
2338 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2340 def get_weight_derivative(self, i):
2341 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2342 return _IMP_isd.Weight_get_weight_derivative(self, i)
2344 def get_weights_derivatives(self):
2345 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2346 return _IMP_isd.Weight_get_weights_derivatives(self)
2348 def add_to_weight_derivative(self, i, dwi, da):
2349 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2350 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2352 def add_to_weights_derivatives(self, dw, da):
2353 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2354 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2356 def add_weight_lazy(self, wi=0):
2357 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2358 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2360 def add_weight(self, wi=0):
2361 r"""add_weight(Weight self, IMP::Float wi=0)"""
2362 return _IMP_isd.Weight_add_weight(self, wi)
2364 def get_number_of_weights(self):
2365 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2366 return _IMP_isd.Weight_get_number_of_weights(self)
2368 def get_unit_simplex(self):
2369 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2370 return _IMP_isd.Weight_get_unit_simplex(self)
2372 def set_number_of_weights_lazy(self, nweights):
2373 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2374 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2376 def set_number_of_weights(self, nweights):
2377 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2378 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2381 def get_is_setup(*args):
2383 get_is_setup(_ParticleAdaptor p) -> bool
2384 get_is_setup(Model m, ParticleIndex pi) -> bool
2386 return _IMP_isd.Weight_get_is_setup(*args)
2388 def add_attribute(self, *args):
2390 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2391 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2392 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2393 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2394 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2395 add_attribute(Weight self, StringKey a0, IMP::String a1)
2396 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2397 add_attribute(Weight self, ObjectKey a0, Object a1)
2398 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2399 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2400 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2401 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2403 return _IMP_isd.Weight_add_attribute(self, *args)
2405 def get_value(self, *args):
2407 get_value(Weight self, FloatKey a0) -> IMP::Float
2408 get_value(Weight self, IntKey a0) -> IMP::Int
2409 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2410 get_value(Weight self, IntsKey a0) -> IMP::Ints
2411 get_value(Weight self, StringKey a0) -> IMP::String
2412 get_value(Weight self, ParticleIndexKey a0) -> Particle
2413 get_value(Weight self, ObjectKey a0) -> Object
2414 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2415 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2416 get_value(Weight self, SparseStringKey a0) -> IMP::String
2417 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2419 return _IMP_isd.Weight_get_value(self, *args)
2421 def set_value(self, *args):
2423 set_value(Weight self, FloatKey a0, IMP::Float a1)
2424 set_value(Weight self, IntKey a0, IMP::Int a1)
2425 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2426 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2427 set_value(Weight self, StringKey a0, IMP::String a1)
2428 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2429 set_value(Weight self, ObjectKey a0, Object a1)
2430 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2431 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2432 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2433 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2435 return _IMP_isd.Weight_set_value(self, *args)
2437 def remove_attribute(self, *args):
2439 remove_attribute(Weight self, FloatKey a0)
2440 remove_attribute(Weight self, IntKey a0)
2441 remove_attribute(Weight self, FloatsKey a0)
2442 remove_attribute(Weight self, IntsKey a0)
2443 remove_attribute(Weight self, StringKey a0)
2444 remove_attribute(Weight self, ParticleIndexKey a0)
2445 remove_attribute(Weight self, ObjectKey a0)
2446 remove_attribute(Weight self, SparseFloatKey a0)
2447 remove_attribute(Weight self, SparseIntKey a0)
2448 remove_attribute(Weight self, SparseStringKey a0)
2449 remove_attribute(Weight self, SparseParticleIndexKey a0)
2451 return _IMP_isd.Weight_remove_attribute(self, *args)
2453 def has_attribute(self, *args):
2455 has_attribute(Weight self, FloatKey a0) -> bool
2456 has_attribute(Weight self, IntKey a0) -> bool
2457 has_attribute(Weight self, FloatsKey a0) -> bool
2458 has_attribute(Weight self, IntsKey a0) -> bool
2459 has_attribute(Weight self, StringKey a0) -> bool
2460 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2461 has_attribute(Weight self, ObjectKey a0) -> bool
2462 has_attribute(Weight self, SparseFloatKey a0) -> bool
2463 has_attribute(Weight self, SparseIntKey a0) -> bool
2464 has_attribute(Weight self, SparseStringKey a0) -> bool
2465 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2467 return _IMP_isd.Weight_has_attribute(self, *args)
2469 def get_derivative(self, a0):
2470 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2471 return _IMP_isd.Weight_get_derivative(self, a0)
2474 r"""get_name(Weight self) -> std::string"""
2475 return _IMP_isd.Weight_get_name(self)
2478 r"""clear_caches(Weight self)"""
2479 return _IMP_isd.Weight_clear_caches(self)
2481 def set_name(self, a0):
2482 r"""set_name(Weight self, std::string a0)"""
2483 return _IMP_isd.Weight_set_name(self, a0)
2486 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2487 return _IMP_isd.Weight_set_check_level(self, a0)
2489 def add_to_derivative(self, a0, a1, a2):
2490 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2491 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2493 def set_is_optimized(self, a0, a1):
2494 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2495 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2497 def get_is_optimized(self, a0):
2498 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2499 return _IMP_isd.Weight_get_is_optimized(self, a0)
2501 def get_check_level(self):
2502 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2503 return _IMP_isd.Weight_get_check_level(self)
2505 def __eq__(self, *args):
2507 __eq__(Weight self, Weight o) -> bool
2508 __eq__(Weight self, Particle d) -> bool
2510 return _IMP_isd.Weight___eq__(self, *args)
2512 def __ne__(self, *args):
2514 __ne__(Weight self, Weight o) -> bool
2515 __ne__(Weight self, Particle d) -> bool
2517 return _IMP_isd.Weight___ne__(self, *args)
2519 def __le__(self, *args):
2521 __le__(Weight self, Weight o) -> bool
2522 __le__(Weight self, Particle d) -> bool
2524 return _IMP_isd.Weight___le__(self, *args)
2526 def __lt__(self, *args):
2528 __lt__(Weight self, Weight o) -> bool
2529 __lt__(Weight self, Particle d) -> bool
2531 return _IMP_isd.Weight___lt__(self, *args)
2533 def __ge__(self, *args):
2535 __ge__(Weight self, Weight o) -> bool
2536 __ge__(Weight self, Particle d) -> bool
2538 return _IMP_isd.Weight___ge__(self, *args)
2540 def __gt__(self, *args):
2542 __gt__(Weight self, Weight o) -> bool
2543 __gt__(Weight self, Particle d) -> bool
2545 return _IMP_isd.Weight___gt__(self, *args)
2548 r"""__hash__(Weight self) -> std::size_t"""
2549 return _IMP_isd.Weight___hash__(self)
2552 r"""__str__(Weight self) -> std::string"""
2553 return _IMP_isd.Weight___str__(self)
2556 r"""__repr__(Weight self) -> std::string"""
2557 return _IMP_isd.Weight___repr__(self)
2559 def _get_as_binary(self):
2560 r"""_get_as_binary(Weight self) -> PyObject *"""
2561 return _IMP_isd.Weight__get_as_binary(self)
2563 def _set_from_binary(self, p):
2564 r"""_set_from_binary(Weight self, PyObject * p)"""
2565 return _IMP_isd.Weight__set_from_binary(self, p)
2567 def __getstate__(self):
2568 p = self._get_as_binary()
2569 if len(self.__dict__) > 1:
2570 d = self.__dict__.copy()
2575 def __setstate__(self, p):
2576 if not hasattr(self,
'this'):
2578 if isinstance(p, tuple):
2580 self.__dict__.update(d)
2581 return self._set_from_binary(p)
2583 __swig_destroy__ = _IMP_isd.delete_Weight
2586 _IMP_isd.Weight_swigregister(Weight)
2587 cvar = _IMP_isd.cvar
2588 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2591 def __lshift__(*args):
2593 __lshift__(_ostream out, Nuisance n) -> _ostream
2594 __lshift__(_ostream out, Scale n) -> _ostream
2595 __lshift__(_ostream out, Switching n) -> _ostream
2596 __lshift__(_ostream out, Weight n) -> _ostream
2598 return _IMP_isd.__lshift__(*args)
2600 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2602 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2604 def __init__(self, *args):
2606 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2607 __init__(JeffreysRestraint self) -> JeffreysRestraint
2609 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2612 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2613 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2616 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2617 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2618 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2620 def get_probability(self):
2621 r"""get_probability(JeffreysRestraint self) -> double"""
2622 return _IMP_isd.JeffreysRestraint_get_probability(self)
2625 r"""__str__(JeffreysRestraint self) -> std::string"""
2626 return _IMP_isd.JeffreysRestraint___str__(self)
2629 r"""__repr__(JeffreysRestraint self) -> std::string"""
2630 return _IMP_isd.JeffreysRestraint___repr__(self)
2634 return _object_cast_to_JeffreysRestraint(o)
2637 def _get_as_binary(self):
2638 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2639 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2641 def _set_from_binary(self, p):
2642 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2643 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2645 def __getstate__(self):
2646 p = self._get_as_binary()
2647 if len(self.__dict__) > 1:
2648 d = self.__dict__.copy()
2653 def __setstate__(self, p):
2654 if not hasattr(self,
'this'):
2656 if isinstance(p, tuple):
2658 self.__dict__.update(d)
2659 return self._set_from_binary(p)
2663 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2665 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2667 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2669 def __init__(self, *args):
2671 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2672 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2674 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2676 def get_sigma(self):
2677 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2678 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2680 def get_alpha(self):
2681 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2682 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2684 def get_sigma_upper(self):
2685 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2686 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2688 def get_probability(self):
2689 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2690 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2693 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2694 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2697 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2698 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2699 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2702 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2703 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2706 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2707 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2711 return _object_cast_to_NormalSigmaPCRestraint(o)
2715 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2717 r"""Proxy of C++ IMP::isd::Distribution class."""
2719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2721 def __init__(self, *args):
2722 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2723 if self.__class__ == Distribution:
2727 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2729 if self.__class__ != Distribution:
2730 _director_objects.register(self)
2735 def get_type_name(self):
2736 r"""get_type_name(Distribution self) -> std::string"""
2737 return _IMP_isd.Distribution_get_type_name(self)
2740 r"""get_version_info(Distribution self) -> VersionInfo"""
2741 return _IMP_isd.Distribution_get_version_info(self)
2742 __swig_destroy__ = _IMP_isd.delete_Distribution
2745 r"""__str__(Distribution self) -> std::string"""
2746 return _IMP_isd.Distribution___str__(self)
2749 r"""__repr__(Distribution self) -> std::string"""
2750 return _IMP_isd.Distribution___repr__(self)
2754 return _object_cast_to_Distribution(o)
2757 def do_show(self, out):
2762 return _object_cast_to_Distribution(o)
2764 def __disown__(self):
2766 _IMP_isd.disown_Distribution(self)
2767 return weakref.proxy(self)
2770 r"""do_destroy(Distribution self)"""
2771 return _IMP_isd.Distribution_do_destroy(self)
2774 _IMP_isd.Distribution_swigregister(Distribution)
2775 class OneDimensionalDistribution(Distribution):
2776 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2780 def do_evaluate(self, *args):
2782 do_evaluate(OneDimensionalDistribution self, double v) -> double
2783 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2785 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2787 def do_get_density(self, *args):
2789 do_get_density(OneDimensionalDistribution self, double v) -> double
2790 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2792 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2794 def __init__(self, *args):
2795 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2796 if self.__class__ == OneDimensionalDistribution:
2800 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2802 if self.__class__ != OneDimensionalDistribution:
2803 _director_objects.register(self)
2808 def evaluate(self, *args):
2810 evaluate(OneDimensionalDistribution self, double v) -> double
2811 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2813 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2815 def get_density(self, *args):
2817 get_density(OneDimensionalDistribution self, double v) -> double
2818 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2820 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2822 def get_type_name(self):
2823 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2824 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2827 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2828 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2829 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2832 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2833 return _IMP_isd.OneDimensionalDistribution___str__(self)
2836 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
2837 return _IMP_isd.OneDimensionalDistribution___repr__(self)
2841 return _object_cast_to_OneDimensionalDistribution(o)
2844 def do_show(self, out):
2849 return _object_cast_to_OneDimensionalDistribution(o)
2851 def __disown__(self):
2853 _IMP_isd.disown_OneDimensionalDistribution(self)
2854 return weakref.proxy(self)
2857 r"""do_destroy(OneDimensionalDistribution self)"""
2858 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
2861 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
2862 class OneDimensionalSufficientDistribution(Distribution):
2863 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
2865 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2867 def do_update_sufficient_statistics(self, vs):
2868 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2869 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
2871 def do_get_sufficient_statistics(self):
2872 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2873 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
2875 def do_evaluate(self):
2876 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
2877 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
2879 def do_get_density(self):
2880 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
2881 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
2883 def __init__(self, *args):
2884 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
2885 if self.__class__ == OneDimensionalSufficientDistribution:
2889 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
2891 if self.__class__ != OneDimensionalSufficientDistribution:
2892 _director_objects.register(self)
2897 def update_sufficient_statistics(self, vs):
2898 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2899 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
2901 def get_sufficient_statistics(self):
2902 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2903 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
2906 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
2907 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
2909 def get_density(self):
2910 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
2911 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
2913 def get_type_name(self):
2914 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
2915 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
2918 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
2919 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
2920 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
2923 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
2924 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
2927 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
2928 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
2932 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2935 def do_show(self, out):
2940 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2942 def __disown__(self):
2944 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
2945 return weakref.proxy(self)
2948 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
2949 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
2952 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
2953 class FNormal(OneDimensionalSufficientDistribution):
2954 r"""Proxy of C++ IMP::isd::FNormal class."""
2956 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2958 def __init__(self, FA, JA, FM, sigma):
2959 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
2960 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
2962 def update_sufficient_statistics(self, FA):
2963 r"""update_sufficient_statistics(FNormal self, double FA)"""
2964 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
2966 def do_update_sufficient_statistics(self, data):
2967 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
2968 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
2970 def do_get_sufficient_statistics(self):
2971 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
2972 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
2974 def do_evaluate(self):
2975 r"""do_evaluate(FNormal self) -> double"""
2976 return _IMP_isd.FNormal_do_evaluate(self)
2978 def evaluate_derivative_FA(self):
2979 r"""evaluate_derivative_FA(FNormal self) -> double"""
2980 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
2982 def evaluate_derivative_JA(self):
2983 r"""evaluate_derivative_JA(FNormal self) -> double"""
2984 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
2986 def evaluate_derivative_FM(self):
2987 r"""evaluate_derivative_FM(FNormal self) -> double"""
2988 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
2990 def evaluate_derivative_sigma(self):
2991 r"""evaluate_derivative_sigma(FNormal self) -> double"""
2992 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
2994 def do_get_density(self):
2995 r"""do_get_density(FNormal self) -> double"""
2996 return _IMP_isd.FNormal_do_get_density(self)
2998 def set_FA(self, f):
2999 r"""set_FA(FNormal self, double f)"""
3000 return _IMP_isd.FNormal_set_FA(self, f)
3002 def set_JA(self, f):
3003 r"""set_JA(FNormal self, double f)"""
3004 return _IMP_isd.FNormal_set_JA(self, f)
3006 def set_FM(self, f):
3007 r"""set_FM(FNormal self, double f)"""
3008 return _IMP_isd.FNormal_set_FM(self, f)
3010 def set_sigma(self, f):
3011 r"""set_sigma(FNormal self, double f)"""
3012 return _IMP_isd.FNormal_set_sigma(self, f)
3013 __swig_destroy__ = _IMP_isd.delete_FNormal
3016 r"""__str__(FNormal self) -> std::string"""
3017 return _IMP_isd.FNormal___str__(self)
3020 r"""__repr__(FNormal self) -> std::string"""
3021 return _IMP_isd.FNormal___repr__(self)
3025 return _object_cast_to_FNormal(o)
3029 _IMP_isd.FNormal_swigregister(FNormal)
3030 class FStudentT(OneDimensionalSufficientDistribution):
3031 r"""Proxy of C++ IMP::isd::FStudentT class."""
3033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3035 def __init__(self, *args):
3037 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3038 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3040 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3042 def update_sufficient_statistics(self, FXs, JXs):
3043 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3044 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3046 def evaluate_derivative_Fx(self, Fx):
3047 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3048 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3050 def evaluate_derivative_FX(self, FXs):
3051 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3052 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3054 def evaluate_derivative_LogJX(self):
3055 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3056 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3058 def evaluate_derivative_FM(self):
3059 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3060 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3062 def evaluate_derivative_sigma(self):
3063 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3064 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3066 def evaluate_derivative_nu(self):
3067 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3068 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3070 def update_cached_values(self):
3071 r"""update_cached_values(FStudentT self)"""
3072 return _IMP_isd.FStudentT_update_cached_values(self)
3074 def set_sumFX(self, v):
3075 r"""set_sumFX(FStudentT self, double v)"""
3076 return _IMP_isd.FStudentT_set_sumFX(self, v)
3078 def set_sumFX2(self, v):
3079 r"""set_sumFX2(FStudentT self, double v)"""
3080 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3083 r"""set_N(FStudentT self, unsigned int v)"""
3084 return _IMP_isd.FStudentT_set_N(self, v)
3086 def set_LogJX(self, v):
3087 r"""set_LogJX(FStudentT self, double v)"""
3088 return _IMP_isd.FStudentT_set_LogJX(self, v)
3090 def set_FM(self, v):
3091 r"""set_FM(FStudentT self, double v)"""
3092 return _IMP_isd.FStudentT_set_FM(self, v)
3094 def set_sigma(self, v):
3095 r"""set_sigma(FStudentT self, double v)"""
3096 return _IMP_isd.FStudentT_set_sigma(self, v)
3098 def set_nu(self, v):
3099 r"""set_nu(FStudentT self, double v)"""
3100 return _IMP_isd.FStudentT_set_nu(self, v)
3102 def get_sumFX(self):
3103 r"""get_sumFX(FStudentT self) -> double"""
3104 return _IMP_isd.FStudentT_get_sumFX(self)
3106 def get_sumFX2(self):
3107 r"""get_sumFX2(FStudentT self) -> double"""
3108 return _IMP_isd.FStudentT_get_sumFX2(self)
3111 r"""get_N(FStudentT self) -> unsigned int"""
3112 return _IMP_isd.FStudentT_get_N(self)
3114 def get_LogJX(self):
3115 r"""get_LogJX(FStudentT self) -> double"""
3116 return _IMP_isd.FStudentT_get_LogJX(self)
3119 r"""get_FM(FStudentT self) -> double"""
3120 return _IMP_isd.FStudentT_get_FM(self)
3122 def get_sigma(self):
3123 r"""get_sigma(FStudentT self) -> double"""
3124 return _IMP_isd.FStudentT_get_sigma(self)
3127 r"""get_nu(FStudentT self) -> double"""
3128 return _IMP_isd.FStudentT_get_nu(self)
3129 __swig_destroy__ = _IMP_isd.delete_FStudentT
3132 r"""__str__(FStudentT self) -> std::string"""
3133 return _IMP_isd.FStudentT___str__(self)
3136 r"""__repr__(FStudentT self) -> std::string"""
3137 return _IMP_isd.FStudentT___repr__(self)
3141 return _object_cast_to_FStudentT(o)
3145 _IMP_isd.FStudentT_swigregister(FStudentT)
3147 r"""Proxy of C++ IMP::isd::vonMises class."""
3149 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3151 def __init__(self, x, mu, kappa):
3152 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3153 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3156 r"""evaluate(vonMises self) -> double"""
3157 return _IMP_isd.vonMises_evaluate(self)
3159 def evaluate_derivative_x(self):
3160 r"""evaluate_derivative_x(vonMises self) -> double"""
3161 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3163 def evaluate_derivative_mu(self):
3164 r"""evaluate_derivative_mu(vonMises self) -> double"""
3165 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3167 def evaluate_derivative_kappa(self):
3168 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3169 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3172 r"""density(vonMises self) -> double"""
3173 return _IMP_isd.vonMises_density(self)
3176 r"""set_x(vonMises self, double x)"""
3177 return _IMP_isd.vonMises_set_x(self, x)
3179 def set_mu(self, mu):
3180 r"""set_mu(vonMises self, double mu)"""
3181 return _IMP_isd.vonMises_set_mu(self, mu)
3183 def set_kappa(self, kappa):
3184 r"""set_kappa(vonMises self, double kappa)"""
3185 return _IMP_isd.vonMises_set_kappa(self, kappa)
3188 r"""get_version_info(vonMises self) -> VersionInfo"""
3189 return _IMP_isd.vonMises_get_version_info(self)
3190 __swig_destroy__ = _IMP_isd.delete_vonMises
3193 r"""__str__(vonMises self) -> std::string"""
3194 return _IMP_isd.vonMises___str__(self)
3197 r"""__repr__(vonMises self) -> std::string"""
3198 return _IMP_isd.vonMises___repr__(self)
3202 return _object_cast_to_vonMises(o)
3206 _IMP_isd.vonMises_swigregister(vonMises)
3208 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3210 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3212 def __init__(self, *args):
3214 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3215 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3217 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3220 r"""evaluate(vonMisesSufficient self) -> double"""
3221 return _IMP_isd.vonMisesSufficient_evaluate(self)
3223 def evaluate_derivative_x(self):
3224 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3225 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3227 def evaluate_derivative_kappa(self):
3228 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3229 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3232 r"""density(vonMisesSufficient self) -> double"""
3233 return _IMP_isd.vonMisesSufficient_density(self)
3236 r"""get_x(vonMisesSufficient self) -> double"""
3237 return _IMP_isd.vonMisesSufficient_get_x(self)
3240 r"""get_R0(vonMisesSufficient self) -> double"""
3241 return _IMP_isd.vonMisesSufficient_get_R0(self)
3243 def get_chiexp(self):
3244 r"""get_chiexp(vonMisesSufficient self) -> double"""
3245 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3248 r"""get_N(vonMisesSufficient self) -> double"""
3249 return _IMP_isd.vonMisesSufficient_get_N(self)
3251 def get_kappa(self):
3252 r"""get_kappa(vonMisesSufficient self) -> double"""
3253 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3256 r"""set_x(vonMisesSufficient self, double x)"""
3257 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3259 def set_R0(self, R0):
3260 r"""set_R0(vonMisesSufficient self, double R0)"""
3261 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3263 def set_chiexp(self, chiexp):
3264 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3265 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3268 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3269 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3271 def set_kappa(self, kappa):
3272 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3273 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3276 def get_sufficient_statistics(data):
3277 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3278 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3281 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3282 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3283 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3286 r"""__str__(vonMisesSufficient self) -> std::string"""
3287 return _IMP_isd.vonMisesSufficient___str__(self)
3290 r"""__repr__(vonMisesSufficient self) -> std::string"""
3291 return _IMP_isd.vonMisesSufficient___repr__(self)
3295 return _object_cast_to_vonMisesSufficient(o)
3299 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3300 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3301 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3305 def __init__(self, *args):
3306 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3307 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3309 def update_sufficient_statistics(self, Dxis, Jxis):
3310 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3311 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3313 def evaluate_derivative_Dxi(self):
3314 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3315 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3317 def evaluate_derivative_Jxi(self):
3318 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3319 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3321 def evaluate_derivative_alpha(self):
3322 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3323 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3325 def evaluate_derivative_xi(self, JJxi):
3326 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3327 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3329 def set_Dxi(self, v):
3330 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3331 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3333 def set_Jxi(self, v):
3334 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3335 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3337 def set_alpha(self, v):
3338 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3339 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3342 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3343 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3346 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3347 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3349 def get_alpha(self):
3350 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3351 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3352 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3355 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3356 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3359 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3360 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3364 return _object_cast_to_PenalizedComplexityPrior(o)
3368 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3370 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3374 def __init__(self, m, kappa):
3375 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3376 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3379 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3380 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3383 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3384 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3385 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3387 def get_probability(self):
3388 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3389 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3392 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3393 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3396 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3397 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3401 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3405 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3407 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3409 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3411 def __init__(self, m, kappa, c=10.0, R0=0.0):
3412 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3413 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3416 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3417 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3420 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3421 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3422 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3424 def get_probability(self):
3425 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3426 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3429 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3430 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3433 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3434 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3438 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3442 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3444 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3446 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3448 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3449 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3450 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3452 def get_probability(self):
3453 r"""get_probability(NOERestraint self) -> double"""
3454 return _IMP_isd.NOERestraint_get_probability(self)
3457 r"""get_chi(NOERestraint self) -> double"""
3458 return _IMP_isd.NOERestraint_get_chi(self)
3461 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3462 return _IMP_isd.NOERestraint_do_get_inputs(self)
3465 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3466 return _IMP_isd.NOERestraint_get_version_info(self)
3467 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3470 r"""__str__(NOERestraint self) -> std::string"""
3471 return _IMP_isd.NOERestraint___str__(self)
3474 r"""__repr__(NOERestraint self) -> std::string"""
3475 return _IMP_isd.NOERestraint___repr__(self)
3479 return _object_cast_to_NOERestraint(o)
3483 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3485 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3489 def __init__(self, *args):
3491 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3492 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3493 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3494 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3495 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3496 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3497 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3499 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3501 def get_probability(self):
3502 r"""get_probability(GaussianRestraint self) -> double"""
3503 return _IMP_isd.GaussianRestraint_get_probability(self)
3506 r"""get_chi(GaussianRestraint self) -> double"""
3507 return _IMP_isd.GaussianRestraint_get_chi(self)
3510 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3511 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3514 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3515 return _IMP_isd.GaussianRestraint_get_version_info(self)
3516 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3519 r"""__str__(GaussianRestraint self) -> std::string"""
3520 return _IMP_isd.GaussianRestraint___str__(self)
3523 r"""__repr__(GaussianRestraint self) -> std::string"""
3524 return _IMP_isd.GaussianRestraint___repr__(self)
3528 return _object_cast_to_GaussianRestraint(o)
3532 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3534 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3538 def __init__(self, *args):
3540 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3541 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3542 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3543 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3544 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3545 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3546 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3547 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3548 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3549 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3550 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3551 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3552 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3553 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3554 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3556 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3558 def get_probability(self):
3559 r"""get_probability(StudentTRestraint self) -> double"""
3560 return _IMP_isd.StudentTRestraint_get_probability(self)
3563 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3564 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3567 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3568 return _IMP_isd.StudentTRestraint_get_version_info(self)
3569 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3572 r"""__str__(StudentTRestraint self) -> std::string"""
3573 return _IMP_isd.StudentTRestraint___str__(self)
3576 r"""__repr__(StudentTRestraint self) -> std::string"""
3577 return _IMP_isd.StudentTRestraint___repr__(self)
3581 return _object_cast_to_StudentTRestraint(o)
3585 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3587 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3591 def __init__(self, *args):
3593 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3594 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3595 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3596 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3597 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3598 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3599 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3601 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3603 def get_probability(self):
3604 r"""get_probability(LognormalRestraint self) -> double"""
3605 return _IMP_isd.LognormalRestraint_get_probability(self)
3608 r"""get_chi(LognormalRestraint self) -> double"""
3609 return _IMP_isd.LognormalRestraint_get_chi(self)
3612 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3613 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3616 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3617 return _IMP_isd.LognormalRestraint_get_version_info(self)
3618 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3621 r"""__str__(LognormalRestraint self) -> std::string"""
3622 return _IMP_isd.LognormalRestraint___str__(self)
3625 r"""__repr__(LognormalRestraint self) -> std::string"""
3626 return _IMP_isd.LognormalRestraint___repr__(self)
3630 return _object_cast_to_LognormalRestraint(o)
3634 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3636 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3640 def __init__(self, p1, p2, ki, sigmaG):
3641 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3642 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3644 def add_contribution(self, lexp, omega):
3645 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3646 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3648 def get_number_of_contributions(self):
3649 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3650 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3652 def draw_k_from_posterior(self, kt):
3653 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3654 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3656 def get_probability(self):
3657 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3658 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3661 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3662 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3665 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3666 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3667 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3670 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3671 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3674 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3675 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3679 return _object_cast_to_LognormalAmbiguousRestraint(o)
3683 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3685 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3689 def __init__(self, *args):
3691 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3692 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3694 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3696 def get_probability(self):
3697 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3698 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3701 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3702 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3705 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3706 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3709 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3710 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3711 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3714 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3715 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3718 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3719 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3723 return _object_cast_to_AmbiguousNOERestraint(o)
3726 def _get_as_binary(self):
3727 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3728 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3730 def _set_from_binary(self, p):
3731 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3732 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3734 def __getstate__(self):
3735 p = self._get_as_binary()
3736 if len(self.__dict__) > 1:
3737 d = self.__dict__.copy()
3742 def __setstate__(self, p):
3743 if not hasattr(self,
'this'):
3745 if isinstance(p, tuple):
3747 self.__dict__.update(d)
3748 return self._set_from_binary(p)
3752 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3754 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3758 def __init__(self, m):
3759 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3760 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3762 def add_contribution(self, *args):
3764 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3765 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3767 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3769 def get_log_gammahat(self):
3770 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3771 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3774 r"""get_SS(MarginalNOERestraint self) -> double"""
3775 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3777 def get_number_of_contributions(self):
3778 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3779 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3781 def get_probability(self):
3782 r"""get_probability(MarginalNOERestraint self) -> double"""
3783 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3786 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3787 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3790 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3791 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3792 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3795 r"""__str__(MarginalNOERestraint self) -> std::string"""
3796 return _IMP_isd.MarginalNOERestraint___str__(self)
3799 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3800 return _IMP_isd.MarginalNOERestraint___repr__(self)
3804 return _object_cast_to_MarginalNOERestraint(o)
3808 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3810 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3812 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3814 def __init__(self, m):
3815 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3816 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3818 def add_contribution(self, *args):
3820 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3821 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3823 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3825 def get_logsquares(self):
3826 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3827 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3829 def get_number_of_contributions(self):
3830 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3831 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3833 def get_probability(self):
3834 r"""get_probability(MarginalHBondRestraint self) -> double"""
3835 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
3838 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
3839 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
3842 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
3843 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
3844 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
3847 r"""__str__(MarginalHBondRestraint self) -> std::string"""
3848 return _IMP_isd.MarginalHBondRestraint___str__(self)
3851 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
3852 return _IMP_isd.MarginalHBondRestraint___repr__(self)
3856 return _object_cast_to_MarginalHBondRestraint(o)
3860 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
3862 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
3864 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3866 def __init__(self, *args):
3868 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
3869 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
3870 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3871 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3873 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
3875 def get_probability(self):
3876 r"""get_probability(TALOSRestraint self) -> double"""
3877 return _IMP_isd.TALOSRestraint_get_probability(self)
3880 r"""get_R0(TALOSRestraint self) -> double"""
3881 return _IMP_isd.TALOSRestraint_get_R0(self)
3883 def get_chiexp(self):
3884 r"""get_chiexp(TALOSRestraint self) -> double"""
3885 return _IMP_isd.TALOSRestraint_get_chiexp(self)
3888 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
3889 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
3892 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
3893 return _IMP_isd.TALOSRestraint_get_version_info(self)
3894 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
3897 r"""__str__(TALOSRestraint self) -> std::string"""
3898 return _IMP_isd.TALOSRestraint___str__(self)
3901 r"""__repr__(TALOSRestraint self) -> std::string"""
3902 return _IMP_isd.TALOSRestraint___repr__(self)
3906 return _object_cast_to_TALOSRestraint(o)
3910 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
3912 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
3914 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3916 def __init__(self, d0, k):
3917 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
3918 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
3920 def get_rest_length(self):
3921 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
3922 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
3924 def get_stiffness(self):
3925 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
3926 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
3929 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3930 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
3932 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3933 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"""
3934 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3936 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3937 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"""
3938 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3940 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3941 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"""
3942 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3944 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3945 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"""
3946 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3949 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
3950 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
3951 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
3954 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
3955 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
3958 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
3959 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
3963 return _object_cast_to_RepulsiveDistancePairScore(o)
3967 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
3969 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
3971 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3973 def __init__(self, *args):
3975 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
3976 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
3977 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
3979 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
3981 def get_probability(self):
3982 r"""get_probability(AmbiguousRestraint self) -> double"""
3983 return _IMP_isd.AmbiguousRestraint_get_probability(self)
3986 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3987 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
3990 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
3991 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
3992 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
3995 r"""__str__(AmbiguousRestraint self) -> std::string"""
3996 return _IMP_isd.AmbiguousRestraint___str__(self)
3999 r"""__repr__(AmbiguousRestraint self) -> std::string"""
4000 return _IMP_isd.AmbiguousRestraint___repr__(self)
4004 return _object_cast_to_AmbiguousRestraint(o)
4007 def _get_as_binary(self):
4008 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
4009 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
4011 def _set_from_binary(self, p):
4012 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
4013 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4015 def __getstate__(self):
4016 p = self._get_as_binary()
4017 if len(self.__dict__) > 1:
4018 d = self.__dict__.copy()
4023 def __setstate__(self, p):
4024 if not hasattr(self,
'this'):
4026 if isinstance(p, tuple):
4028 self.__dict__.update(d)
4029 return self._set_from_binary(p)
4033 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4034 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4037 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4039 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4041 def __init__(self, *args, **kwargs):
4042 raise AttributeError(
"No constructor defined - class is abstract")
4044 def __call__(self, *args):
4046 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4047 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4048 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4050 return _IMP_isd.UnivariateFunction___call__(self, *args)
4052 def has_changed(self):
4053 r"""has_changed(UnivariateFunction self) -> bool"""
4054 return _IMP_isd.UnivariateFunction_has_changed(self)
4057 r"""update(UnivariateFunction self)"""
4058 return _IMP_isd.UnivariateFunction_update(self)
4060 def add_to_derivatives(self, x, accum):
4061 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4062 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4064 def add_to_particle_derivative(self, particle_no, value, accum):
4065 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4066 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4068 def get_derivative_vector(self, particle_no, xlist):
4069 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4070 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4072 def get_derivative_matrix(self, xlist, stupid):
4073 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4074 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4076 def get_second_derivative_vector(self, *args):
4078 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4079 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4081 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4083 def get_ndims_x(self):
4084 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4085 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4087 def get_ndims_y(self):
4088 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4089 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4091 def get_number_of_particles(self):
4092 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4093 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4095 def get_particle_is_optimized(self, particle_no):
4096 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4097 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4099 def get_number_of_optimized_particles(self):
4100 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4101 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4104 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4105 return _IMP_isd.UnivariateFunction_get_inputs(self)
4106 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4109 r"""__str__(UnivariateFunction self) -> std::string"""
4110 return _IMP_isd.UnivariateFunction___str__(self)
4113 r"""__repr__(UnivariateFunction self) -> std::string"""
4114 return _IMP_isd.UnivariateFunction___repr__(self)
4118 return _object_cast_to_UnivariateFunction(o)
4122 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4123 class Linear1DFunction(UnivariateFunction):
4124 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4128 def __init__(self, a, b):
4129 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4130 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4132 def __call__(self, *args):
4134 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4135 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4136 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4138 return _IMP_isd.Linear1DFunction___call__(self, *args)
4140 def get_second_derivative_vector(self, *args):
4142 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4143 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4145 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4148 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4149 return _IMP_isd.Linear1DFunction_get_version_info(self)
4150 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4153 r"""__str__(Linear1DFunction self) -> std::string"""
4154 return _IMP_isd.Linear1DFunction___str__(self)
4157 r"""__repr__(Linear1DFunction self) -> std::string"""
4158 return _IMP_isd.Linear1DFunction___repr__(self)
4162 return _object_cast_to_Linear1DFunction(o)
4166 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4167 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4168 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4170 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4172 def __init__(self, G, Rg, d, s, A):
4173 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4174 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4176 def __call__(self, *args):
4178 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4179 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4180 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4182 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4184 def get_second_derivative_vector(self, *args):
4186 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4187 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4189 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4192 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4193 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4194 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4197 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4198 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4201 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4202 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4206 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4210 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4211 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4214 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4218 def __init__(self, *args, **kwargs):
4219 raise AttributeError(
"No constructor defined - class is abstract")
4221 def __call__(self, *args):
4223 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4224 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4225 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4227 return _IMP_isd.BivariateFunction___call__(self, *args)
4229 def has_changed(self):
4230 r"""has_changed(BivariateFunction self) -> bool"""
4231 return _IMP_isd.BivariateFunction_has_changed(self)
4234 r"""update(BivariateFunction self)"""
4235 return _IMP_isd.BivariateFunction_update(self)
4237 def add_to_derivatives(self, x1, x2, accum):
4238 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4239 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4241 def add_to_particle_derivative(self, particle_no, value, accum):
4242 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4243 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4245 def get_derivative_matrix(self, *args):
4247 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4248 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4250 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4252 def get_second_derivative_matrix(self, *args):
4254 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4255 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4257 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4259 def get_ndims_x1(self):
4260 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4261 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4263 def get_ndims_x2(self):
4264 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4265 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4267 def get_ndims_y(self):
4268 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4269 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4271 def get_number_of_particles(self):
4272 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4273 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4275 def get_particle_is_optimized(self, particle_no):
4276 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4277 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4279 def get_number_of_optimized_particles(self):
4280 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4281 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4284 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4285 return _IMP_isd.BivariateFunction_get_inputs(self)
4286 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4289 r"""__str__(BivariateFunction self) -> std::string"""
4290 return _IMP_isd.BivariateFunction___str__(self)
4293 r"""__repr__(BivariateFunction self) -> std::string"""
4294 return _IMP_isd.BivariateFunction___repr__(self)
4298 return _object_cast_to_BivariateFunction(o)
4302 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4303 class Covariance1DFunction(BivariateFunction):
4304 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4308 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4309 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4310 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4312 def __call__(self, *args):
4314 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4315 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4316 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4318 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4320 def get_derivative_matrix(self, *args):
4322 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4323 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4325 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4327 def get_second_derivative_matrix(self, *args):
4329 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4330 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4332 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4335 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4336 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4337 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4340 r"""__str__(Covariance1DFunction self) -> std::string"""
4341 return _IMP_isd.Covariance1DFunction___str__(self)
4344 r"""__repr__(Covariance1DFunction self) -> std::string"""
4345 return _IMP_isd.Covariance1DFunction___repr__(self)
4349 return _object_cast_to_Covariance1DFunction(o)
4353 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4354 class GaussianProcessInterpolation(
IMP.Object):
4355 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4357 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4359 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4360 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"""
4361 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4363 def get_posterior_mean(self, x):
4364 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4365 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4367 def get_posterior_covariance(self, x1, x2):
4368 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4369 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4371 def get_posterior_covariance_matrix(self, x, arg3):
4372 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4373 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4375 def get_posterior_covariance_derivative(self, x, arg3):
4376 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4377 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4379 def get_posterior_covariance_hessian(self, x, arg3):
4380 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4381 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4384 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4385 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4387 def force_mean_update(self):
4388 r"""force_mean_update(GaussianProcessInterpolation self)"""
4389 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4391 def force_covariance_update(self):
4392 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4393 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4395 def get_number_of_m_particles(self):
4396 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4397 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4399 def get_m_particle_is_optimized(self, i):
4400 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4401 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4403 def get_number_of_Omega_particles(self):
4404 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4405 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4407 def get_Omega_particle_is_optimized(self, i):
4408 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4409 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4411 def get_data_abscissa(self):
4412 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4413 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4415 def get_data_mean(self):
4416 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4417 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4419 def get_data_variance(self):
4420 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4421 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4424 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4425 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4426 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4429 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4430 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4433 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4434 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4438 return _object_cast_to_GaussianProcessInterpolation(o)
4442 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4444 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4446 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4448 def __init__(self, m, gpi):
4449 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4450 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4452 def get_probability(self):
4453 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4454 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4456 def set_use_cg(self, use, tol):
4457 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4458 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4460 def get_minus_log_normalization(self):
4461 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4462 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4464 def get_minus_exponent(self):
4465 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4466 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4468 def get_logdet_hessian(self):
4469 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4470 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4472 def get_hessian(self, *args):
4474 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4475 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4477 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4480 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4481 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4484 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4485 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4486 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4489 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4490 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4493 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4494 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4498 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4502 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4504 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4508 def __init__(self, m=None):
4509 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4510 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4513 r"""__str__(MolecularDynamics self) -> std::string"""
4514 return _IMP_isd.MolecularDynamics___str__(self)
4517 r"""__repr__(MolecularDynamics self) -> std::string"""
4518 return _IMP_isd.MolecularDynamics___repr__(self)
4522 return _object_cast_to_MolecularDynamics(o)
4524 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4527 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4529 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4533 def __init__(self, m, nsteps=100, timestep=1.):
4534 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4535 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4538 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4539 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4541 def get_number_of_md_steps(self):
4542 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4543 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4545 def set_number_of_md_steps(self, nsteps):
4546 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4547 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4550 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4551 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4552 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4555 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4556 return _IMP_isd.MolecularDynamicsMover___str__(self)
4559 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4560 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4564 return _object_cast_to_MolecularDynamicsMover(o)
4568 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4570 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4574 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4575 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"""
4576 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4578 def get_kinetic_energy(self):
4579 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4580 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4582 def get_potential_energy(self):
4583 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4584 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4586 def get_total_energy(self):
4587 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4588 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4590 def set_timestep(self, ts):
4591 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4592 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4594 def get_timestep(self):
4595 r"""get_timestep(HybridMonteCarlo self) -> double"""
4596 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4598 def set_number_of_md_steps(self, nsteps):
4599 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4600 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4602 def get_number_of_md_steps(self):
4603 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4604 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4606 def set_persistence(self, persistence=1):
4607 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4608 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4610 def get_persistence(self):
4611 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4612 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4615 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4616 return _IMP_isd.HybridMonteCarlo_get_md(self)
4618 def do_evaluate(self, arg2, arg3):
4619 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4620 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4623 r"""do_step(HybridMonteCarlo self)"""
4624 return _IMP_isd.HybridMonteCarlo_do_step(self)
4625 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4628 r"""__str__(HybridMonteCarlo self) -> std::string"""
4629 return _IMP_isd.HybridMonteCarlo___str__(self)
4632 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4633 return _IMP_isd.HybridMonteCarlo___repr__(self)
4637 return _object_cast_to_HybridMonteCarlo(o)
4641 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4643 r"""Proxy of C++ IMP::isd::FretData class."""
4645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4647 def __init__(self, *args):
4649 __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
4650 __init__(FretData self) -> FretData
4652 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4654 def get_closest(self, vec, value):
4655 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4656 return _IMP_isd.FretData_get_closest(self, vec, value)
4658 def get_probability(self, distn, dist, sigma):
4659 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4660 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4662 def get_kernel(self, dist, R0):
4663 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4664 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4666 def get_marginal_element(self, d_term, d_center, sigma):
4667 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4668 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4671 r"""get_version_info(FretData self) -> VersionInfo"""
4672 return _IMP_isd.FretData_get_version_info(self)
4673 __swig_destroy__ = _IMP_isd.delete_FretData
4676 r"""__str__(FretData self) -> std::string"""
4677 return _IMP_isd.FretData___str__(self)
4680 r"""__repr__(FretData self) -> std::string"""
4681 return _IMP_isd.FretData___repr__(self)
4685 return _object_cast_to_FretData(o)
4688 def _get_as_binary(self):
4689 r"""_get_as_binary(FretData self) -> PyObject *"""
4690 return _IMP_isd.FretData__get_as_binary(self)
4692 def _set_from_binary(self, p):
4693 r"""_set_from_binary(FretData self, PyObject * p)"""
4694 return _IMP_isd.FretData__set_from_binary(self, p)
4696 def __getstate__(self):
4697 p = self._get_as_binary()
4698 if len(self.__dict__) > 1:
4699 d = self.__dict__.copy()
4704 def __setstate__(self, p):
4705 if not hasattr(self,
'this'):
4707 if isinstance(p, tuple):
4709 self.__dict__.update(d)
4710 return self._set_from_binary(p)
4714 _IMP_isd.FretData_swigregister(FretData)
4716 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4720 def __init__(self, *args):
4722 __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
4723 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4724 __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
4725 __init__(FretRestraint self) -> FretRestraint
4727 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4729 def get_sumFi(self):
4730 r"""get_sumFi(FretRestraint self) -> double"""
4731 return _IMP_isd.FretRestraint_get_sumFi(self)
4733 def get_average_sigma(self, fmod):
4734 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4735 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4737 def get_standard_error(self):
4738 r"""get_standard_error(FretRestraint self) -> double"""
4739 return _IMP_isd.FretRestraint_get_standard_error(self)
4741 def get_model_fretr(self):
4742 r"""get_model_fretr(FretRestraint self) -> double"""
4743 return _IMP_isd.FretRestraint_get_model_fretr(self)
4745 def get_probability(self):
4746 r"""get_probability(FretRestraint self) -> double"""
4747 return _IMP_isd.FretRestraint_get_probability(self)
4749 def get_experimental_value(self):
4750 r"""get_experimental_value(FretRestraint self) -> double"""
4751 return _IMP_isd.FretRestraint_get_experimental_value(self)
4753 def set_experimental_value(self, fexp):
4754 r"""set_experimental_value(FretRestraint self, double fexp)"""
4755 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4758 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4759 return _IMP_isd.FretRestraint_do_get_inputs(self)
4762 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4763 return _IMP_isd.FretRestraint_get_version_info(self)
4764 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4767 r"""__str__(FretRestraint self) -> std::string"""
4768 return _IMP_isd.FretRestraint___str__(self)
4771 r"""__repr__(FretRestraint self) -> std::string"""
4772 return _IMP_isd.FretRestraint___repr__(self)
4776 return _object_cast_to_FretRestraint(o)
4779 def _get_as_binary(self):
4780 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4781 return _IMP_isd.FretRestraint__get_as_binary(self)
4783 def _set_from_binary(self, p):
4784 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4785 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4787 def __getstate__(self):
4788 p = self._get_as_binary()
4789 if len(self.__dict__) > 1:
4790 d = self.__dict__.copy()
4795 def __setstate__(self, p):
4796 if not hasattr(self,
'this'):
4798 if isinstance(p, tuple):
4800 self.__dict__.update(d)
4801 return self._set_from_binary(p)
4805 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4807 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4811 def __init__(self, *args):
4813 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4814 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4816 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4818 def get_closest(self, vec, value):
4819 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4820 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4822 def get_omegas(self, fmods, omega0):
4823 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4824 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4826 def get_nonmarginal_elements(self, fexp, fmods, omega):
4827 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4828 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4830 def get_marginal_elements(self, fmods, omega0):
4831 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4832 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
4834 def get_omega(self, fmod, omega0):
4835 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4836 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
4838 def get_standard_deviation(self, fmod, omega0):
4839 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4840 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
4842 def get_nonmarginal_element(self, fexp, fmod, omega):
4843 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
4844 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
4846 def get_marginal_element(self, fmod, omega0):
4847 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4848 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
4851 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
4852 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
4853 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
4856 r"""__str__(CysteineCrossLinkData self) -> std::string"""
4857 return _IMP_isd.CysteineCrossLinkData___str__(self)
4860 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
4861 return _IMP_isd.CysteineCrossLinkData___repr__(self)
4865 return _object_cast_to_CysteineCrossLinkData(o)
4868 def _get_as_binary(self):
4869 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
4870 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
4872 def _set_from_binary(self, p):
4873 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
4874 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
4876 def __getstate__(self):
4877 p = self._get_as_binary()
4878 if len(self.__dict__) > 1:
4879 d = self.__dict__.copy()
4884 def __setstate__(self, p):
4885 if not hasattr(self,
'this'):
4887 if isinstance(p, tuple):
4889 self.__dict__.update(d)
4890 return self._set_from_binary(p)
4894 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
4896 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
4898 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4900 def __init__(self, *args):
4902 __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
4903 __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
4904 __init__(CrossLinkData self) -> CrossLinkData
4906 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
4908 def get_closest(self, vec, value):
4909 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
4910 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
4912 def get_omegas(self, sigma, dists):
4913 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4914 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
4916 def get_omega_prior(self, omega, omega0):
4917 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
4918 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
4920 def get_nonmarginal_elements(self, sigmai, dists):
4921 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
4922 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
4924 def get_marginal_elements(self, sigma, dists):
4925 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4926 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
4928 def get_marginal_maximum(self, *args):
4930 get_marginal_maximum(CrossLinkData self, double sigma) -> double
4931 get_marginal_maximum(CrossLinkData self) -> double
4933 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
4936 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
4937 return _IMP_isd.CrossLinkData_get_version_info(self)
4938 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
4941 r"""__str__(CrossLinkData self) -> std::string"""
4942 return _IMP_isd.CrossLinkData___str__(self)
4945 r"""__repr__(CrossLinkData self) -> std::string"""
4946 return _IMP_isd.CrossLinkData___repr__(self)
4950 return _object_cast_to_CrossLinkData(o)
4953 def _get_as_binary(self):
4954 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
4955 return _IMP_isd.CrossLinkData__get_as_binary(self)
4957 def _set_from_binary(self, p):
4958 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
4959 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
4961 def __getstate__(self):
4962 p = self._get_as_binary()
4963 if len(self.__dict__) > 1:
4964 d = self.__dict__.copy()
4969 def __setstate__(self, p):
4970 if not hasattr(self,
'this'):
4972 if isinstance(p, tuple):
4974 self.__dict__.update(d)
4975 return self._set_from_binary(p)
4979 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
4981 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
4983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4985 def __init__(self, *args):
4987 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
4988 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
4989 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
4991 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
4993 def get_probability(self):
4994 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
4995 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
4997 def get_standard_error(self):
4998 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
4999 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
5001 def get_frequencies(self):
5002 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5003 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
5005 def get_model_frequency(self):
5006 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
5007 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
5009 def get_distances(self):
5010 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5011 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
5013 def get_truncated_normalization(self, mean, sigma):
5014 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5015 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5017 def get_normal_pdf(self, mean, sigma, x):
5018 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5019 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5021 def add_contribution(self, *args):
5023 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5024 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5026 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5028 def get_CB_coordinates(self, ps):
5029 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5030 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5032 def get_number_of_contributions(self):
5033 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5034 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5037 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5038 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5041 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5042 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5043 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5046 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5047 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5050 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5051 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5055 return _object_cast_to_CysteineCrossLinkRestraint(o)
5058 def _get_as_binary(self):
5059 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5060 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5062 def _set_from_binary(self, p):
5063 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5064 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5066 def __getstate__(self):
5067 p = self._get_as_binary()
5068 if len(self.__dict__) > 1:
5069 d = self.__dict__.copy()
5074 def __setstate__(self, p):
5075 if not hasattr(self,
'this'):
5077 if isinstance(p, tuple):
5079 self.__dict__.update(d)
5080 return self._set_from_binary(p)
5084 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5086 r"""Proxy of C++ IMP::isd::WeightMover class."""
5088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5090 def __init__(self, w, radius):
5091 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5092 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5094 def set_radius(self, radius):
5095 r"""set_radius(WeightMover self, IMP::Float radius)"""
5096 return _IMP_isd.WeightMover_set_radius(self, radius)
5098 def get_radius(self):
5099 r"""get_radius(WeightMover self) -> IMP::Float"""
5100 return _IMP_isd.WeightMover_get_radius(self)
5103 r"""get_version_info(WeightMover self) -> VersionInfo"""
5104 return _IMP_isd.WeightMover_get_version_info(self)
5105 __swig_destroy__ = _IMP_isd.delete_WeightMover
5108 r"""__str__(WeightMover self) -> std::string"""
5109 return _IMP_isd.WeightMover___str__(self)
5112 r"""__repr__(WeightMover self) -> std::string"""
5113 return _IMP_isd.WeightMover___repr__(self)
5117 return _object_cast_to_WeightMover(o)
5121 _IMP_isd.WeightMover_swigregister(WeightMover)
5123 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5125 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5127 def __init__(self, w, wmin, wmax, kappa):
5128 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5129 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5132 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5133 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5136 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5137 return _IMP_isd.WeightRestraint_get_version_info(self)
5138 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5141 r"""__str__(WeightRestraint self) -> std::string"""
5142 return _IMP_isd.WeightRestraint___str__(self)
5145 r"""__repr__(WeightRestraint self) -> std::string"""
5146 return _IMP_isd.WeightRestraint___repr__(self)
5150 return _object_cast_to_WeightRestraint(o)
5154 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5156 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5158 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5160 def __init__(self, *args):
5162 __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
5163 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5165 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5167 def add_contribution(self, ppi, sigmas):
5168 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5169 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5171 def evaluate_for_contributions(self, c, accum):
5172 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5173 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5175 def get_number_of_contributions(self):
5176 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5177 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5179 def get_contribution(self, i):
5180 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5181 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5183 def get_contribution_sigmas(self, i):
5184 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5185 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5188 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5189 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5192 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5193 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5195 def show(self, out):
5196 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5197 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5199 def set_slope(self, slope):
5200 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5201 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5203 def set_part_of_log_score(self, hey):
5204 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5205 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5208 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5209 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5210 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5213 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5214 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5217 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5218 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5222 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5225 def _get_as_binary(self):
5226 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5227 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5229 def _set_from_binary(self, p):
5230 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5231 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5233 def __getstate__(self):
5234 p = self._get_as_binary()
5235 if len(self.__dict__) > 1:
5236 d = self.__dict__.copy()
5241 def __setstate__(self, p):
5242 if not hasattr(self,
'this'):
5244 if isinstance(p, tuple):
5246 self.__dict__.update(d)
5247 return self._set_from_binary(p)
5251 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5253 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5257 def __init__(self, *args):
5259 __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
5260 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5262 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5264 def get_probability(self):
5265 r"""get_probability(GaussianEMRestraint self) -> double"""
5266 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5269 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5270 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5272 def set_density_filename(self, density_fn):
5273 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5274 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5276 def compute_initial_scores(self):
5277 r"""compute_initial_scores(GaussianEMRestraint self)"""
5278 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5280 def set_slope(self, s):
5281 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5282 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5284 def get_slope(self):
5285 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5286 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5289 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5290 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5292 def show(self, out):
5293 r"""show(GaussianEMRestraint self, _ostream out)"""
5294 return _IMP_isd.GaussianEMRestraint_show(self, out)
5297 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5298 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5299 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5302 r"""__str__(GaussianEMRestraint self) -> std::string"""
5303 return _IMP_isd.GaussianEMRestraint___str__(self)
5306 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5307 return _IMP_isd.GaussianEMRestraint___repr__(self)
5311 return _object_cast_to_GaussianEMRestraint(o)
5314 def _get_as_binary(self):
5315 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5316 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5318 def _set_from_binary(self, p):
5319 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5320 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5322 def __getstate__(self):
5323 p = self._get_as_binary()
5324 if len(self.__dict__) > 1:
5325 d = self.__dict__.copy()
5330 def __setstate__(self, p):
5331 if not hasattr(self,
'this'):
5333 if isinstance(p, tuple):
5335 self.__dict__.update(d)
5336 return self._set_from_binary(p)
5340 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5341 class GaussianAnchorEMRestraint(ISDRestraint):
5342 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5344 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5346 def __init__(self, *args):
5347 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"""
5348 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5350 def get_density_particles(self):
5351 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5352 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5353 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5356 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5357 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5360 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5361 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5365 return _object_cast_to_GaussianAnchorEMRestraint(o)
5369 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5371 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5373 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5375 def __init__(self, *args):
5376 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5377 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5379 def evaluate_at(self, val):
5380 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5381 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5384 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5385 return _IMP_isd.GammaPrior_do_get_inputs(self)
5388 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5389 return _IMP_isd.GammaPrior_get_version_info(self)
5390 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5392 def get_probability(self):
5393 r"""get_probability(GammaPrior self) -> double"""
5394 return _IMP_isd.GammaPrior_get_probability(self)
5397 r"""__str__(GammaPrior self) -> std::string"""
5398 return _IMP_isd.GammaPrior___str__(self)
5401 r"""__repr__(GammaPrior self) -> std::string"""
5402 return _IMP_isd.GammaPrior___repr__(self)
5406 return _object_cast_to_GammaPrior(o)
5410 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5412 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5413 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5414 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5416 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5418 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5420 def __init__(self, *args):
5421 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"""
5422 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5424 def add_pairs_container(self, pc):
5425 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5426 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5428 def add_contribution_particles(self, ppis1, ppis2):
5429 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5430 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5432 def evaluate_for_contributions(self, c):
5433 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5434 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5436 def get_number_of_contributions(self):
5437 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5438 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5440 def set_sigma(self, sigma):
5441 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5442 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5444 def set_cutoff(self, cutoff):
5445 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5446 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5448 def set_max_score(self, max_score):
5449 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5450 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5452 def set_yi(self, yi):
5453 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5454 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5456 def set_interpolation_factor(self, interpolation_factor):
5457 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5458 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5460 def set_part_of_log_score(self, hey):
5461 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5462 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5465 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5466 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5469 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5470 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5471 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5474 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5475 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5478 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5479 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5483 return _object_cast_to_ResidueProteinProximityRestraint(o)
5487 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5489 def get_module_name():
5490 r"""get_module_name() -> std::string const"""
5491 return _IMP_isd.get_module_name()
5494 r"""get_module_version() -> std::string const"""
5495 return _IMP_isd.get_module_version()
5498 r"""get_example_path(std::string fname) -> std::string"""
5499 return _IMP_isd.get_example_path(fname)
5502 r"""get_data_path(std::string fname) -> std::string"""
5503 return _IMP_isd.get_data_path(fname)
5505 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()
Common base class for heavy weight IMP objects.
Simple molecular dynamics simulator.
Store a list of ParticleIndexes.
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.