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)
1122 def _get_python_evaluate(self):
1123 from numba
import njit
1128 def sphere_cap(r1, r2, d):
1130 if d <= max(r1, r2) - min(r1, r2):
1131 sc = min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1132 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1136 sc = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1137 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1138 + 6 * r1 * r2 - 3 * r2 * r2))
1142 def get_probability(xyz, scale, ps, ncontrib, sigma, psi, length,
1145 for k
in range(ncontrib):
1146 dist = numpy.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1149 psik = scale[psi[k]]
1150 sigmai = scale[sigma[k, 0]]
1151 sigmaj = scale[sigma[k, 1]]
1153 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1154 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1156 if dist < sigmai + sigmaj:
1157 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1158 * (length / 2.) * (length / 2))
1159 fi = min(voli, xlvol)
1160 fj = min(volj, xlvol)
1162 di = dist - sigmaj - length / 2.
1163 dj = dist - sigmai - length / 2.
1164 fi = sphere_cap(sigmai, length / 2., abs(di))
1165 fj = sphere_cap(sigmaj, length / 2., abs(dj))
1167 pofr = fi * fj / voli / volj
1168 if slope
is not None:
1169 prior = math.exp(slope * dist)
1170 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1171 + pofr * (1 - psik)) * prior)
1173 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1174 + pofr * (1 - psik)))
1175 return 1.0 - onemprob
1177 if self.get_is_length_variable():
1178 raise NotImplementedError(
"Only implemented for fixed-length")
1179 m = self.get_model()
1180 xyz, radius = m.get_spheres_numpy()
1182 sigma = self._get_contributions_sigma_numpy()
1183 psi = self._get_contributions_psi_numpy()
1184 pis = self._get_contributions_particles_numpy()
1185 get_log_prob = self.get_log_prob()
1186 length = self.get_length()
1187 ncontrib = len(sigma)
1188 slope = self.get_slope()
if self.get_has_slope()
else None
1192 prob = get_probability(xyz, scale, pis, ncontrib, sigma, psi,
1195 return -math.log(prob)
1203 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1205 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1207 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1209 def __init__(self, *args):
1211 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1212 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1213 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1214 __init__(LogWrapper self) -> LogWrapper
1216 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1218 def do_add_score_and_derivatives(self, sa):
1219 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1220 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1222 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1223 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1224 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1225 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1228 r"""__str__(LogWrapper self) -> std::string"""
1229 return _IMP_isd.LogWrapper___str__(self)
1232 r"""__repr__(LogWrapper self) -> std::string"""
1233 return _IMP_isd.LogWrapper___repr__(self)
1237 return _object_cast_to_LogWrapper(o)
1240 def _get_as_binary(self):
1241 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1242 return _IMP_isd.LogWrapper__get_as_binary(self)
1244 def _set_from_binary(self, p):
1245 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1246 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1248 def __getstate__(self):
1249 p = self._get_as_binary()
1250 if len(self.__dict__) > 1:
1251 d = self.__dict__.copy()
1256 def __setstate__(self, p):
1257 if not hasattr(self,
'this'):
1259 if isinstance(p, tuple):
1261 self.__dict__.update(d)
1262 return self._set_from_binary(p)
1266 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1268 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1270 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1272 def __init__(self, *args):
1274 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1275 __init__(UniformPrior self) -> UniformPrior
1277 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1280 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1281 return _IMP_isd.UniformPrior_do_get_inputs(self)
1284 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1285 return _IMP_isd.UniformPrior_get_version_info(self)
1286 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1288 def get_probability(self):
1289 r"""get_probability(UniformPrior self) -> double"""
1290 return _IMP_isd.UniformPrior_get_probability(self)
1293 r"""__str__(UniformPrior self) -> std::string"""
1294 return _IMP_isd.UniformPrior___str__(self)
1297 r"""__repr__(UniformPrior self) -> std::string"""
1298 return _IMP_isd.UniformPrior___repr__(self)
1302 return _object_cast_to_UniformPrior(o)
1305 def _get_as_binary(self):
1306 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1307 return _IMP_isd.UniformPrior__get_as_binary(self)
1309 def _set_from_binary(self, p):
1310 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1311 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1313 def __getstate__(self):
1314 p = self._get_as_binary()
1315 if len(self.__dict__) > 1:
1316 d = self.__dict__.copy()
1321 def __setstate__(self, p):
1322 if not hasattr(self,
'this'):
1324 if isinstance(p, tuple):
1326 self.__dict__.update(d)
1327 return self._set_from_binary(p)
1331 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1333 r"""Proxy of C++ IMP::isd::Nuisance class."""
1335 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1337 def __init__(self, *args):
1339 __init__(Nuisance self) -> Nuisance
1340 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1341 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1343 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1345 def show(self, *args):
1346 r"""show(Nuisance self, _ostream out=std::cout)"""
1347 return _IMP_isd.Nuisance_show(self, *args)
1350 def setup_particle(*args):
1352 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1353 setup_particle(_ParticleAdaptor pa) -> Nuisance
1354 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1355 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1357 return _IMP_isd.Nuisance_setup_particle(*args)
1360 def get_is_setup(*args):
1362 get_is_setup(_ParticleAdaptor p) -> bool
1363 get_is_setup(Model m, ParticleIndex pi) -> bool
1365 return _IMP_isd.Nuisance_get_is_setup(*args)
1368 def get_nuisance_key():
1369 r"""get_nuisance_key() -> FloatKey"""
1370 return _IMP_isd.Nuisance_get_nuisance_key()
1372 def get_nuisance(self):
1373 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1374 return _IMP_isd.Nuisance_get_nuisance(self)
1376 def set_nuisance(self, d):
1377 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1378 return _IMP_isd.Nuisance_set_nuisance(self, d)
1380 def get_has_lower(self):
1381 r"""get_has_lower(Nuisance self) -> bool"""
1382 return _IMP_isd.Nuisance_get_has_lower(self)
1384 def get_lower(self):
1385 r"""get_lower(Nuisance self) -> IMP::Float"""
1386 return _IMP_isd.Nuisance_get_lower(self)
1389 def get_lower_key():
1390 r"""get_lower_key() -> FloatKey"""
1391 return _IMP_isd.Nuisance_get_lower_key()
1394 def get_lower_particle_key():
1395 r"""get_lower_particle_key() -> ParticleIndexKey"""
1396 return _IMP_isd.Nuisance_get_lower_particle_key()
1398 def set_lower(self, *args):
1400 set_lower(Nuisance self, IMP::Float d)
1401 set_lower(Nuisance self, Particle d)
1403 return _IMP_isd.Nuisance_set_lower(self, *args)
1405 def remove_lower(self):
1406 r"""remove_lower(Nuisance self)"""
1407 return _IMP_isd.Nuisance_remove_lower(self)
1409 def get_has_upper(self):
1410 r"""get_has_upper(Nuisance self) -> bool"""
1411 return _IMP_isd.Nuisance_get_has_upper(self)
1413 def get_upper(self):
1414 r"""get_upper(Nuisance self) -> IMP::Float"""
1415 return _IMP_isd.Nuisance_get_upper(self)
1418 def get_upper_key():
1419 r"""get_upper_key() -> FloatKey"""
1420 return _IMP_isd.Nuisance_get_upper_key()
1423 def get_upper_particle_key():
1424 r"""get_upper_particle_key() -> ParticleIndexKey"""
1425 return _IMP_isd.Nuisance_get_upper_particle_key()
1427 def set_upper(self, *args):
1429 set_upper(Nuisance self, IMP::Float d)
1430 set_upper(Nuisance self, Particle d)
1432 return _IMP_isd.Nuisance_set_upper(self, *args)
1434 def remove_upper(self):
1435 r"""remove_upper(Nuisance self)"""
1436 return _IMP_isd.Nuisance_remove_upper(self)
1438 def get_nuisance_derivative(self):
1439 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1440 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1442 def add_to_nuisance_derivative(self, d, accum):
1443 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1444 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1446 def get_nuisance_is_optimized(self):
1447 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1448 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1450 def set_nuisance_is_optimized(self, val):
1451 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1452 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1454 def add_attribute(self, *args):
1456 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1457 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1458 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1459 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1460 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1461 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1462 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1463 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1464 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1465 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1466 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1467 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1469 return _IMP_isd.Nuisance_add_attribute(self, *args)
1471 def get_value(self, *args):
1473 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1474 get_value(Nuisance self, IntKey a0) -> IMP::Int
1475 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1476 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1477 get_value(Nuisance self, StringKey a0) -> IMP::String
1478 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1479 get_value(Nuisance self, ObjectKey a0) -> Object
1480 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1481 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1482 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1483 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1485 return _IMP_isd.Nuisance_get_value(self, *args)
1487 def set_value(self, *args):
1489 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1490 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1491 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1492 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1493 set_value(Nuisance self, StringKey a0, IMP::String a1)
1494 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1495 set_value(Nuisance self, ObjectKey a0, Object a1)
1496 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1497 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1498 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1499 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1501 return _IMP_isd.Nuisance_set_value(self, *args)
1503 def remove_attribute(self, *args):
1505 remove_attribute(Nuisance self, FloatKey a0)
1506 remove_attribute(Nuisance self, IntKey a0)
1507 remove_attribute(Nuisance self, FloatsKey a0)
1508 remove_attribute(Nuisance self, IntsKey a0)
1509 remove_attribute(Nuisance self, StringKey a0)
1510 remove_attribute(Nuisance self, ParticleIndexKey a0)
1511 remove_attribute(Nuisance self, ObjectKey a0)
1512 remove_attribute(Nuisance self, SparseFloatKey a0)
1513 remove_attribute(Nuisance self, SparseIntKey a0)
1514 remove_attribute(Nuisance self, SparseStringKey a0)
1515 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1517 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1519 def has_attribute(self, *args):
1521 has_attribute(Nuisance self, FloatKey a0) -> bool
1522 has_attribute(Nuisance self, IntKey a0) -> bool
1523 has_attribute(Nuisance self, FloatsKey a0) -> bool
1524 has_attribute(Nuisance self, IntsKey a0) -> bool
1525 has_attribute(Nuisance self, StringKey a0) -> bool
1526 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1527 has_attribute(Nuisance self, ObjectKey a0) -> bool
1528 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1529 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1530 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1531 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1533 return _IMP_isd.Nuisance_has_attribute(self, *args)
1535 def get_derivative(self, a0):
1536 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1537 return _IMP_isd.Nuisance_get_derivative(self, a0)
1540 r"""get_name(Nuisance self) -> std::string"""
1541 return _IMP_isd.Nuisance_get_name(self)
1544 r"""clear_caches(Nuisance self)"""
1545 return _IMP_isd.Nuisance_clear_caches(self)
1547 def set_name(self, a0):
1548 r"""set_name(Nuisance self, std::string a0)"""
1549 return _IMP_isd.Nuisance_set_name(self, a0)
1552 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1553 return _IMP_isd.Nuisance_set_check_level(self, a0)
1555 def add_to_derivative(self, a0, a1, a2):
1556 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1557 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1559 def set_is_optimized(self, a0, a1):
1560 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1561 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1563 def get_is_optimized(self, a0):
1564 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1565 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1567 def get_check_level(self):
1568 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1569 return _IMP_isd.Nuisance_get_check_level(self)
1571 def __eq__(self, *args):
1573 __eq__(Nuisance self, Nuisance o) -> bool
1574 __eq__(Nuisance self, Particle d) -> bool
1576 return _IMP_isd.Nuisance___eq__(self, *args)
1578 def __ne__(self, *args):
1580 __ne__(Nuisance self, Nuisance o) -> bool
1581 __ne__(Nuisance self, Particle d) -> bool
1583 return _IMP_isd.Nuisance___ne__(self, *args)
1585 def __le__(self, *args):
1587 __le__(Nuisance self, Nuisance o) -> bool
1588 __le__(Nuisance self, Particle d) -> bool
1590 return _IMP_isd.Nuisance___le__(self, *args)
1592 def __lt__(self, *args):
1594 __lt__(Nuisance self, Nuisance o) -> bool
1595 __lt__(Nuisance self, Particle d) -> bool
1597 return _IMP_isd.Nuisance___lt__(self, *args)
1599 def __ge__(self, *args):
1601 __ge__(Nuisance self, Nuisance o) -> bool
1602 __ge__(Nuisance self, Particle d) -> bool
1604 return _IMP_isd.Nuisance___ge__(self, *args)
1606 def __gt__(self, *args):
1608 __gt__(Nuisance self, Nuisance o) -> bool
1609 __gt__(Nuisance self, Particle d) -> bool
1611 return _IMP_isd.Nuisance___gt__(self, *args)
1614 r"""__hash__(Nuisance self) -> std::size_t"""
1615 return _IMP_isd.Nuisance___hash__(self)
1618 r"""__str__(Nuisance self) -> std::string"""
1619 return _IMP_isd.Nuisance___str__(self)
1622 r"""__repr__(Nuisance self) -> std::string"""
1623 return _IMP_isd.Nuisance___repr__(self)
1625 def _get_as_binary(self):
1626 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1627 return _IMP_isd.Nuisance__get_as_binary(self)
1629 def _set_from_binary(self, p):
1630 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1631 return _IMP_isd.Nuisance__set_from_binary(self, p)
1633 def __getstate__(self):
1634 p = self._get_as_binary()
1635 if len(self.__dict__) > 1:
1636 d = self.__dict__.copy()
1641 def __setstate__(self, p):
1642 if not hasattr(self,
'this'):
1644 if isinstance(p, tuple):
1646 self.__dict__.update(d)
1647 return self._set_from_binary(p)
1649 __swig_destroy__ = _IMP_isd.delete_Nuisance
1652 _IMP_isd.Nuisance_swigregister(Nuisance)
1653 class Scale(Nuisance):
1654 r"""Proxy of C++ IMP::isd::Scale class."""
1656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1658 def __init__(self, *args):
1660 __init__(Scale self) -> Scale
1661 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1662 __init__(Scale self, _ParticleAdaptor d) -> Scale
1664 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1666 def show(self, *args):
1667 r"""show(Scale self, _ostream out=std::cout)"""
1668 return _IMP_isd.Scale_show(self, *args)
1671 def setup_particle(*args):
1673 setup_particle(Model m, ParticleIndex pi) -> Scale
1674 setup_particle(_ParticleAdaptor pa) -> Scale
1675 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1676 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1678 return _IMP_isd.Scale_setup_particle(*args)
1681 def get_is_setup(*args):
1683 get_is_setup(_ParticleAdaptor p) -> bool
1684 get_is_setup(Model m, ParticleIndex pi) -> bool
1686 return _IMP_isd.Scale_get_is_setup(*args)
1688 def get_scale(self):
1689 r"""get_scale(Scale self) -> IMP::Float"""
1690 return _IMP_isd.Scale_get_scale(self)
1692 def set_scale(self, d):
1693 r"""set_scale(Scale self, IMP::Float d)"""
1694 return _IMP_isd.Scale_set_scale(self, d)
1696 def add_to_scale_derivative(self, d, accum):
1697 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1698 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1700 def get_scale_derivative(self):
1701 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1702 return _IMP_isd.Scale_get_scale_derivative(self)
1705 def get_scale_key():
1706 r"""get_scale_key() -> FloatKey"""
1707 return _IMP_isd.Scale_get_scale_key()
1709 def get_scale_is_optimized(self):
1710 r"""get_scale_is_optimized(Scale self) -> bool"""
1711 return _IMP_isd.Scale_get_scale_is_optimized(self)
1713 def set_scale_is_optimized(self, val):
1714 r"""set_scale_is_optimized(Scale self, bool val)"""
1715 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1717 def add_attribute(self, *args):
1719 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1720 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1721 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1722 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1723 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1724 add_attribute(Scale self, StringKey a0, IMP::String a1)
1725 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1726 add_attribute(Scale self, ObjectKey a0, Object a1)
1727 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1728 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1729 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1730 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1732 return _IMP_isd.Scale_add_attribute(self, *args)
1734 def get_value(self, *args):
1736 get_value(Scale self, FloatKey a0) -> IMP::Float
1737 get_value(Scale self, IntKey a0) -> IMP::Int
1738 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1739 get_value(Scale self, IntsKey a0) -> IMP::Ints
1740 get_value(Scale self, StringKey a0) -> IMP::String
1741 get_value(Scale self, ParticleIndexKey a0) -> Particle
1742 get_value(Scale self, ObjectKey a0) -> Object
1743 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1744 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1745 get_value(Scale self, SparseStringKey a0) -> IMP::String
1746 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1748 return _IMP_isd.Scale_get_value(self, *args)
1750 def set_value(self, *args):
1752 set_value(Scale self, FloatKey a0, IMP::Float a1)
1753 set_value(Scale self, IntKey a0, IMP::Int a1)
1754 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1755 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1756 set_value(Scale self, StringKey a0, IMP::String a1)
1757 set_value(Scale self, ParticleIndexKey a0, Particle a1)
1758 set_value(Scale self, ObjectKey a0, Object a1)
1759 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
1760 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
1761 set_value(Scale self, SparseStringKey a0, IMP::String a1)
1762 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1764 return _IMP_isd.Scale_set_value(self, *args)
1766 def remove_attribute(self, *args):
1768 remove_attribute(Scale self, FloatKey a0)
1769 remove_attribute(Scale self, IntKey a0)
1770 remove_attribute(Scale self, FloatsKey a0)
1771 remove_attribute(Scale self, IntsKey a0)
1772 remove_attribute(Scale self, StringKey a0)
1773 remove_attribute(Scale self, ParticleIndexKey a0)
1774 remove_attribute(Scale self, ObjectKey a0)
1775 remove_attribute(Scale self, SparseFloatKey a0)
1776 remove_attribute(Scale self, SparseIntKey a0)
1777 remove_attribute(Scale self, SparseStringKey a0)
1778 remove_attribute(Scale self, SparseParticleIndexKey a0)
1780 return _IMP_isd.Scale_remove_attribute(self, *args)
1782 def has_attribute(self, *args):
1784 has_attribute(Scale self, FloatKey a0) -> bool
1785 has_attribute(Scale self, IntKey a0) -> bool
1786 has_attribute(Scale self, FloatsKey a0) -> bool
1787 has_attribute(Scale self, IntsKey a0) -> bool
1788 has_attribute(Scale self, StringKey a0) -> bool
1789 has_attribute(Scale self, ParticleIndexKey a0) -> bool
1790 has_attribute(Scale self, ObjectKey a0) -> bool
1791 has_attribute(Scale self, SparseFloatKey a0) -> bool
1792 has_attribute(Scale self, SparseIntKey a0) -> bool
1793 has_attribute(Scale self, SparseStringKey a0) -> bool
1794 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
1796 return _IMP_isd.Scale_has_attribute(self, *args)
1798 def get_derivative(self, a0):
1799 r"""get_derivative(Scale self, FloatKey a0) -> double"""
1800 return _IMP_isd.Scale_get_derivative(self, a0)
1803 r"""get_name(Scale self) -> std::string"""
1804 return _IMP_isd.Scale_get_name(self)
1807 r"""clear_caches(Scale self)"""
1808 return _IMP_isd.Scale_clear_caches(self)
1810 def set_name(self, a0):
1811 r"""set_name(Scale self, std::string a0)"""
1812 return _IMP_isd.Scale_set_name(self, a0)
1815 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
1816 return _IMP_isd.Scale_set_check_level(self, a0)
1818 def add_to_derivative(self, a0, a1, a2):
1819 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1820 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
1822 def set_is_optimized(self, a0, a1):
1823 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
1824 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
1826 def get_is_optimized(self, a0):
1827 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
1828 return _IMP_isd.Scale_get_is_optimized(self, a0)
1830 def get_check_level(self):
1831 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
1832 return _IMP_isd.Scale_get_check_level(self)
1834 def __eq__(self, *args):
1836 __eq__(Scale self, Scale o) -> bool
1837 __eq__(Scale self, Particle d) -> bool
1839 return _IMP_isd.Scale___eq__(self, *args)
1841 def __ne__(self, *args):
1843 __ne__(Scale self, Scale o) -> bool
1844 __ne__(Scale self, Particle d) -> bool
1846 return _IMP_isd.Scale___ne__(self, *args)
1848 def __le__(self, *args):
1850 __le__(Scale self, Scale o) -> bool
1851 __le__(Scale self, Particle d) -> bool
1853 return _IMP_isd.Scale___le__(self, *args)
1855 def __lt__(self, *args):
1857 __lt__(Scale self, Scale o) -> bool
1858 __lt__(Scale self, Particle d) -> bool
1860 return _IMP_isd.Scale___lt__(self, *args)
1862 def __ge__(self, *args):
1864 __ge__(Scale self, Scale o) -> bool
1865 __ge__(Scale self, Particle d) -> bool
1867 return _IMP_isd.Scale___ge__(self, *args)
1869 def __gt__(self, *args):
1871 __gt__(Scale self, Scale o) -> bool
1872 __gt__(Scale self, Particle d) -> bool
1874 return _IMP_isd.Scale___gt__(self, *args)
1877 r"""__hash__(Scale self) -> std::size_t"""
1878 return _IMP_isd.Scale___hash__(self)
1881 r"""__str__(Scale self) -> std::string"""
1882 return _IMP_isd.Scale___str__(self)
1885 r"""__repr__(Scale self) -> std::string"""
1886 return _IMP_isd.Scale___repr__(self)
1888 def _get_as_binary(self):
1889 r"""_get_as_binary(Scale self) -> PyObject *"""
1890 return _IMP_isd.Scale__get_as_binary(self)
1892 def _set_from_binary(self, p):
1893 r"""_set_from_binary(Scale self, PyObject * p)"""
1894 return _IMP_isd.Scale__set_from_binary(self, p)
1896 def __getstate__(self):
1897 p = self._get_as_binary()
1898 if len(self.__dict__) > 1:
1899 d = self.__dict__.copy()
1904 def __setstate__(self, p):
1905 if not hasattr(self,
'this'):
1907 if isinstance(p, tuple):
1909 self.__dict__.update(d)
1910 return self._set_from_binary(p)
1912 __swig_destroy__ = _IMP_isd.delete_Scale
1915 _IMP_isd.Scale_swigregister(Scale)
1916 class Switching(Nuisance):
1917 r"""Proxy of C++ IMP::isd::Switching class."""
1919 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1921 def __init__(self, *args):
1923 __init__(Switching self) -> Switching
1924 __init__(Switching self, Model m, ParticleIndex id) -> Switching
1925 __init__(Switching self, _ParticleAdaptor d) -> Switching
1927 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
1929 def show(self, *args):
1930 r"""show(Switching self, _ostream out=std::cout)"""
1931 return _IMP_isd.Switching_show(self, *args)
1934 def setup_particle(*args):
1936 setup_particle(Model m, ParticleIndex pi) -> Switching
1937 setup_particle(_ParticleAdaptor pa) -> Switching
1938 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
1939 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
1941 return _IMP_isd.Switching_setup_particle(*args)
1944 def get_is_setup(*args):
1946 get_is_setup(_ParticleAdaptor p) -> bool
1947 get_is_setup(Model m, ParticleIndex pi) -> bool
1949 return _IMP_isd.Switching_get_is_setup(*args)
1951 def get_switching(self):
1952 r"""get_switching(Switching self) -> IMP::Float"""
1953 return _IMP_isd.Switching_get_switching(self)
1955 def set_switching(self, d):
1956 r"""set_switching(Switching self, IMP::Float d)"""
1957 return _IMP_isd.Switching_set_switching(self, d)
1959 def add_to_switching_derivative(self, d, accum):
1960 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
1961 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
1963 def get_switching_derivative(self):
1964 r"""get_switching_derivative(Switching self) -> IMP::Float"""
1965 return _IMP_isd.Switching_get_switching_derivative(self)
1968 def get_switching_key():
1969 r"""get_switching_key() -> FloatKey"""
1970 return _IMP_isd.Switching_get_switching_key()
1972 def get_switching_is_optimized(self):
1973 r"""get_switching_is_optimized(Switching self) -> bool"""
1974 return _IMP_isd.Switching_get_switching_is_optimized(self)
1976 def set_switching_is_optimized(self, val):
1977 r"""set_switching_is_optimized(Switching self, bool val)"""
1978 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
1980 def add_attribute(self, *args):
1982 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
1983 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
1984 add_attribute(Switching self, IntKey a0, IMP::Int a1)
1985 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
1986 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
1987 add_attribute(Switching self, StringKey a0, IMP::String a1)
1988 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
1989 add_attribute(Switching self, ObjectKey a0, Object a1)
1990 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
1991 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
1992 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
1993 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
1995 return _IMP_isd.Switching_add_attribute(self, *args)
1997 def get_value(self, *args):
1999 get_value(Switching self, FloatKey a0) -> IMP::Float
2000 get_value(Switching self, IntKey a0) -> IMP::Int
2001 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2002 get_value(Switching self, IntsKey a0) -> IMP::Ints
2003 get_value(Switching self, StringKey a0) -> IMP::String
2004 get_value(Switching self, ParticleIndexKey a0) -> Particle
2005 get_value(Switching self, ObjectKey a0) -> Object
2006 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2007 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2008 get_value(Switching self, SparseStringKey a0) -> IMP::String
2009 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2011 return _IMP_isd.Switching_get_value(self, *args)
2013 def set_value(self, *args):
2015 set_value(Switching self, FloatKey a0, IMP::Float a1)
2016 set_value(Switching self, IntKey a0, IMP::Int a1)
2017 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2018 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2019 set_value(Switching self, StringKey a0, IMP::String a1)
2020 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2021 set_value(Switching self, ObjectKey a0, Object a1)
2022 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2023 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2024 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2025 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2027 return _IMP_isd.Switching_set_value(self, *args)
2029 def remove_attribute(self, *args):
2031 remove_attribute(Switching self, FloatKey a0)
2032 remove_attribute(Switching self, IntKey a0)
2033 remove_attribute(Switching self, FloatsKey a0)
2034 remove_attribute(Switching self, IntsKey a0)
2035 remove_attribute(Switching self, StringKey a0)
2036 remove_attribute(Switching self, ParticleIndexKey a0)
2037 remove_attribute(Switching self, ObjectKey a0)
2038 remove_attribute(Switching self, SparseFloatKey a0)
2039 remove_attribute(Switching self, SparseIntKey a0)
2040 remove_attribute(Switching self, SparseStringKey a0)
2041 remove_attribute(Switching self, SparseParticleIndexKey a0)
2043 return _IMP_isd.Switching_remove_attribute(self, *args)
2045 def has_attribute(self, *args):
2047 has_attribute(Switching self, FloatKey a0) -> bool
2048 has_attribute(Switching self, IntKey a0) -> bool
2049 has_attribute(Switching self, FloatsKey a0) -> bool
2050 has_attribute(Switching self, IntsKey a0) -> bool
2051 has_attribute(Switching self, StringKey a0) -> bool
2052 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2053 has_attribute(Switching self, ObjectKey a0) -> bool
2054 has_attribute(Switching self, SparseFloatKey a0) -> bool
2055 has_attribute(Switching self, SparseIntKey a0) -> bool
2056 has_attribute(Switching self, SparseStringKey a0) -> bool
2057 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2059 return _IMP_isd.Switching_has_attribute(self, *args)
2061 def get_derivative(self, a0):
2062 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2063 return _IMP_isd.Switching_get_derivative(self, a0)
2066 r"""get_name(Switching self) -> std::string"""
2067 return _IMP_isd.Switching_get_name(self)
2070 r"""clear_caches(Switching self)"""
2071 return _IMP_isd.Switching_clear_caches(self)
2073 def set_name(self, a0):
2074 r"""set_name(Switching self, std::string a0)"""
2075 return _IMP_isd.Switching_set_name(self, a0)
2078 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2079 return _IMP_isd.Switching_set_check_level(self, a0)
2081 def add_to_derivative(self, a0, a1, a2):
2082 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2083 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2085 def set_is_optimized(self, a0, a1):
2086 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2087 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2089 def get_is_optimized(self, a0):
2090 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2091 return _IMP_isd.Switching_get_is_optimized(self, a0)
2093 def get_check_level(self):
2094 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2095 return _IMP_isd.Switching_get_check_level(self)
2097 def __eq__(self, *args):
2099 __eq__(Switching self, Switching o) -> bool
2100 __eq__(Switching self, Particle d) -> bool
2102 return _IMP_isd.Switching___eq__(self, *args)
2104 def __ne__(self, *args):
2106 __ne__(Switching self, Switching o) -> bool
2107 __ne__(Switching self, Particle d) -> bool
2109 return _IMP_isd.Switching___ne__(self, *args)
2111 def __le__(self, *args):
2113 __le__(Switching self, Switching o) -> bool
2114 __le__(Switching self, Particle d) -> bool
2116 return _IMP_isd.Switching___le__(self, *args)
2118 def __lt__(self, *args):
2120 __lt__(Switching self, Switching o) -> bool
2121 __lt__(Switching self, Particle d) -> bool
2123 return _IMP_isd.Switching___lt__(self, *args)
2125 def __ge__(self, *args):
2127 __ge__(Switching self, Switching o) -> bool
2128 __ge__(Switching self, Particle d) -> bool
2130 return _IMP_isd.Switching___ge__(self, *args)
2132 def __gt__(self, *args):
2134 __gt__(Switching self, Switching o) -> bool
2135 __gt__(Switching self, Particle d) -> bool
2137 return _IMP_isd.Switching___gt__(self, *args)
2140 r"""__hash__(Switching self) -> std::size_t"""
2141 return _IMP_isd.Switching___hash__(self)
2144 r"""__str__(Switching self) -> std::string"""
2145 return _IMP_isd.Switching___str__(self)
2148 r"""__repr__(Switching self) -> std::string"""
2149 return _IMP_isd.Switching___repr__(self)
2151 def _get_as_binary(self):
2152 r"""_get_as_binary(Switching self) -> PyObject *"""
2153 return _IMP_isd.Switching__get_as_binary(self)
2155 def _set_from_binary(self, p):
2156 r"""_set_from_binary(Switching self, PyObject * p)"""
2157 return _IMP_isd.Switching__set_from_binary(self, p)
2159 def __getstate__(self):
2160 p = self._get_as_binary()
2161 if len(self.__dict__) > 1:
2162 d = self.__dict__.copy()
2167 def __setstate__(self, p):
2168 if not hasattr(self,
'this'):
2170 if isinstance(p, tuple):
2172 self.__dict__.update(d)
2173 return self._set_from_binary(p)
2175 __swig_destroy__ = _IMP_isd.delete_Switching
2178 _IMP_isd.Switching_swigregister(Switching)
2180 r"""Proxy of C++ IMP::isd::Weight class."""
2182 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2184 def __init__(self, *args):
2186 __init__(Weight self) -> Weight
2187 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2188 __init__(Weight self, _ParticleAdaptor d) -> Weight
2190 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2192 def show(self, *args):
2193 r"""show(Weight self, _ostream out=std::cout)"""
2194 return _IMP_isd.Weight_show(self, *args)
2197 def setup_particle(*args):
2199 setup_particle(Model m, ParticleIndex pi) -> Weight
2200 setup_particle(_ParticleAdaptor pa) -> Weight
2201 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2202 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2203 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2204 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2206 return _IMP_isd.Weight_setup_particle(*args)
2209 def get_number_of_weights_key():
2210 r"""get_number_of_weights_key() -> IntKey"""
2211 return _IMP_isd.Weight_get_number_of_weights_key()
2214 def get_weight_key(i):
2215 r"""get_weight_key(int i) -> FloatKey"""
2216 return _IMP_isd.Weight_get_weight_key(i)
2218 def get_weight_keys(self):
2219 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2220 return _IMP_isd.Weight_get_weight_keys(self)
2222 def get_weight(self, i):
2223 r"""get_weight(Weight self, int i) -> IMP::Float"""
2224 return _IMP_isd.Weight_get_weight(self, i)
2226 def get_weights(self):
2227 r"""get_weights(Weight self) -> VectorKD"""
2228 return _IMP_isd.Weight_get_weights(self)
2230 def set_weight_lazy(self, i, wi):
2231 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2232 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2234 def set_weights_lazy(self, w):
2235 r"""set_weights_lazy(Weight self, VectorKD w)"""
2236 return _IMP_isd.Weight_set_weights_lazy(self, w)
2238 def set_weights(self, w):
2239 r"""set_weights(Weight self, VectorKD w)"""
2240 return _IMP_isd.Weight_set_weights(self, w)
2242 def get_weights_are_optimized(self):
2243 r"""get_weights_are_optimized(Weight self) -> bool"""
2244 return _IMP_isd.Weight_get_weights_are_optimized(self)
2246 def set_weights_are_optimized(self, tf):
2247 r"""set_weights_are_optimized(Weight self, bool tf)"""
2248 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2250 def get_weight_derivative(self, i):
2251 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2252 return _IMP_isd.Weight_get_weight_derivative(self, i)
2254 def get_weights_derivatives(self):
2255 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2256 return _IMP_isd.Weight_get_weights_derivatives(self)
2258 def add_to_weight_derivative(self, i, dwi, da):
2259 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2260 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2262 def add_to_weights_derivatives(self, dw, da):
2263 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2264 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2266 def add_weight_lazy(self, wi=0):
2267 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2268 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2270 def add_weight(self, wi=0):
2271 r"""add_weight(Weight self, IMP::Float wi=0)"""
2272 return _IMP_isd.Weight_add_weight(self, wi)
2274 def get_number_of_weights(self):
2275 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2276 return _IMP_isd.Weight_get_number_of_weights(self)
2278 def get_unit_simplex(self):
2279 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2280 return _IMP_isd.Weight_get_unit_simplex(self)
2282 def set_number_of_weights_lazy(self, nweights):
2283 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2284 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2286 def set_number_of_weights(self, nweights):
2287 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2288 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2291 def get_is_setup(*args):
2293 get_is_setup(_ParticleAdaptor p) -> bool
2294 get_is_setup(Model m, ParticleIndex pi) -> bool
2296 return _IMP_isd.Weight_get_is_setup(*args)
2298 def add_attribute(self, *args):
2300 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2301 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2302 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2303 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2304 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2305 add_attribute(Weight self, StringKey a0, IMP::String a1)
2306 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2307 add_attribute(Weight self, ObjectKey a0, Object a1)
2308 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2309 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2310 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2311 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2313 return _IMP_isd.Weight_add_attribute(self, *args)
2315 def get_value(self, *args):
2317 get_value(Weight self, FloatKey a0) -> IMP::Float
2318 get_value(Weight self, IntKey a0) -> IMP::Int
2319 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2320 get_value(Weight self, IntsKey a0) -> IMP::Ints
2321 get_value(Weight self, StringKey a0) -> IMP::String
2322 get_value(Weight self, ParticleIndexKey a0) -> Particle
2323 get_value(Weight self, ObjectKey a0) -> Object
2324 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2325 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2326 get_value(Weight self, SparseStringKey a0) -> IMP::String
2327 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2329 return _IMP_isd.Weight_get_value(self, *args)
2331 def set_value(self, *args):
2333 set_value(Weight self, FloatKey a0, IMP::Float a1)
2334 set_value(Weight self, IntKey a0, IMP::Int a1)
2335 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2336 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2337 set_value(Weight self, StringKey a0, IMP::String a1)
2338 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2339 set_value(Weight self, ObjectKey a0, Object a1)
2340 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2341 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2342 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2343 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2345 return _IMP_isd.Weight_set_value(self, *args)
2347 def remove_attribute(self, *args):
2349 remove_attribute(Weight self, FloatKey a0)
2350 remove_attribute(Weight self, IntKey a0)
2351 remove_attribute(Weight self, FloatsKey a0)
2352 remove_attribute(Weight self, IntsKey a0)
2353 remove_attribute(Weight self, StringKey a0)
2354 remove_attribute(Weight self, ParticleIndexKey a0)
2355 remove_attribute(Weight self, ObjectKey a0)
2356 remove_attribute(Weight self, SparseFloatKey a0)
2357 remove_attribute(Weight self, SparseIntKey a0)
2358 remove_attribute(Weight self, SparseStringKey a0)
2359 remove_attribute(Weight self, SparseParticleIndexKey a0)
2361 return _IMP_isd.Weight_remove_attribute(self, *args)
2363 def has_attribute(self, *args):
2365 has_attribute(Weight self, FloatKey a0) -> bool
2366 has_attribute(Weight self, IntKey a0) -> bool
2367 has_attribute(Weight self, FloatsKey a0) -> bool
2368 has_attribute(Weight self, IntsKey a0) -> bool
2369 has_attribute(Weight self, StringKey a0) -> bool
2370 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2371 has_attribute(Weight self, ObjectKey a0) -> bool
2372 has_attribute(Weight self, SparseFloatKey a0) -> bool
2373 has_attribute(Weight self, SparseIntKey a0) -> bool
2374 has_attribute(Weight self, SparseStringKey a0) -> bool
2375 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2377 return _IMP_isd.Weight_has_attribute(self, *args)
2379 def get_derivative(self, a0):
2380 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2381 return _IMP_isd.Weight_get_derivative(self, a0)
2384 r"""get_name(Weight self) -> std::string"""
2385 return _IMP_isd.Weight_get_name(self)
2388 r"""clear_caches(Weight self)"""
2389 return _IMP_isd.Weight_clear_caches(self)
2391 def set_name(self, a0):
2392 r"""set_name(Weight self, std::string a0)"""
2393 return _IMP_isd.Weight_set_name(self, a0)
2396 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2397 return _IMP_isd.Weight_set_check_level(self, a0)
2399 def add_to_derivative(self, a0, a1, a2):
2400 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2401 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2403 def set_is_optimized(self, a0, a1):
2404 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2405 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2407 def get_is_optimized(self, a0):
2408 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2409 return _IMP_isd.Weight_get_is_optimized(self, a0)
2411 def get_check_level(self):
2412 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2413 return _IMP_isd.Weight_get_check_level(self)
2415 def __eq__(self, *args):
2417 __eq__(Weight self, Weight o) -> bool
2418 __eq__(Weight self, Particle d) -> bool
2420 return _IMP_isd.Weight___eq__(self, *args)
2422 def __ne__(self, *args):
2424 __ne__(Weight self, Weight o) -> bool
2425 __ne__(Weight self, Particle d) -> bool
2427 return _IMP_isd.Weight___ne__(self, *args)
2429 def __le__(self, *args):
2431 __le__(Weight self, Weight o) -> bool
2432 __le__(Weight self, Particle d) -> bool
2434 return _IMP_isd.Weight___le__(self, *args)
2436 def __lt__(self, *args):
2438 __lt__(Weight self, Weight o) -> bool
2439 __lt__(Weight self, Particle d) -> bool
2441 return _IMP_isd.Weight___lt__(self, *args)
2443 def __ge__(self, *args):
2445 __ge__(Weight self, Weight o) -> bool
2446 __ge__(Weight self, Particle d) -> bool
2448 return _IMP_isd.Weight___ge__(self, *args)
2450 def __gt__(self, *args):
2452 __gt__(Weight self, Weight o) -> bool
2453 __gt__(Weight self, Particle d) -> bool
2455 return _IMP_isd.Weight___gt__(self, *args)
2458 r"""__hash__(Weight self) -> std::size_t"""
2459 return _IMP_isd.Weight___hash__(self)
2462 r"""__str__(Weight self) -> std::string"""
2463 return _IMP_isd.Weight___str__(self)
2466 r"""__repr__(Weight self) -> std::string"""
2467 return _IMP_isd.Weight___repr__(self)
2469 def _get_as_binary(self):
2470 r"""_get_as_binary(Weight self) -> PyObject *"""
2471 return _IMP_isd.Weight__get_as_binary(self)
2473 def _set_from_binary(self, p):
2474 r"""_set_from_binary(Weight self, PyObject * p)"""
2475 return _IMP_isd.Weight__set_from_binary(self, p)
2477 def __getstate__(self):
2478 p = self._get_as_binary()
2479 if len(self.__dict__) > 1:
2480 d = self.__dict__.copy()
2485 def __setstate__(self, p):
2486 if not hasattr(self,
'this'):
2488 if isinstance(p, tuple):
2490 self.__dict__.update(d)
2491 return self._set_from_binary(p)
2493 __swig_destroy__ = _IMP_isd.delete_Weight
2496 _IMP_isd.Weight_swigregister(Weight)
2497 cvar = _IMP_isd.cvar
2498 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2501 def __lshift__(*args):
2503 __lshift__(_ostream out, Nuisance n) -> _ostream
2504 __lshift__(_ostream out, Scale n) -> _ostream
2505 __lshift__(_ostream out, Switching n) -> _ostream
2506 __lshift__(_ostream out, Weight n) -> _ostream
2508 return _IMP_isd.__lshift__(*args)
2510 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2514 def __init__(self, *args):
2516 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2517 __init__(JeffreysRestraint self) -> JeffreysRestraint
2519 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2522 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2523 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2526 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2527 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2528 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2530 def get_probability(self):
2531 r"""get_probability(JeffreysRestraint self) -> double"""
2532 return _IMP_isd.JeffreysRestraint_get_probability(self)
2535 r"""__str__(JeffreysRestraint self) -> std::string"""
2536 return _IMP_isd.JeffreysRestraint___str__(self)
2539 r"""__repr__(JeffreysRestraint self) -> std::string"""
2540 return _IMP_isd.JeffreysRestraint___repr__(self)
2544 return _object_cast_to_JeffreysRestraint(o)
2547 def _get_as_binary(self):
2548 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2549 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2551 def _set_from_binary(self, p):
2552 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2553 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2555 def __getstate__(self):
2556 p = self._get_as_binary()
2557 if len(self.__dict__) > 1:
2558 d = self.__dict__.copy()
2563 def __setstate__(self, p):
2564 if not hasattr(self,
'this'):
2566 if isinstance(p, tuple):
2568 self.__dict__.update(d)
2569 return self._set_from_binary(p)
2573 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2575 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2577 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2579 def __init__(self, *args):
2581 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2582 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2584 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2586 def get_sigma(self):
2587 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2588 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2590 def get_alpha(self):
2591 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2592 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2594 def get_sigma_upper(self):
2595 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2596 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2598 def get_probability(self):
2599 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2600 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2603 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2604 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2607 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2608 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2609 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2612 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2613 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2616 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2617 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2621 return _object_cast_to_NormalSigmaPCRestraint(o)
2625 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2627 r"""Proxy of C++ IMP::isd::Distribution class."""
2629 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2631 def __init__(self, *args):
2632 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2633 if self.__class__ == Distribution:
2637 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2639 if self.__class__ != Distribution:
2640 _director_objects.register(self)
2645 def get_type_name(self):
2646 r"""get_type_name(Distribution self) -> std::string"""
2647 return _IMP_isd.Distribution_get_type_name(self)
2650 r"""get_version_info(Distribution self) -> VersionInfo"""
2651 return _IMP_isd.Distribution_get_version_info(self)
2652 __swig_destroy__ = _IMP_isd.delete_Distribution
2655 r"""__str__(Distribution self) -> std::string"""
2656 return _IMP_isd.Distribution___str__(self)
2659 r"""__repr__(Distribution self) -> std::string"""
2660 return _IMP_isd.Distribution___repr__(self)
2664 return _object_cast_to_Distribution(o)
2667 def do_show(self, out):
2672 return _object_cast_to_Distribution(o)
2674 def __disown__(self):
2676 _IMP_isd.disown_Distribution(self)
2677 return weakref.proxy(self)
2680 r"""do_destroy(Distribution self)"""
2681 return _IMP_isd.Distribution_do_destroy(self)
2684 _IMP_isd.Distribution_swigregister(Distribution)
2685 class OneDimensionalDistribution(Distribution):
2686 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2688 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2690 def do_evaluate(self, *args):
2692 do_evaluate(OneDimensionalDistribution self, double v) -> double
2693 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2695 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2697 def do_get_density(self, *args):
2699 do_get_density(OneDimensionalDistribution self, double v) -> double
2700 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2702 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2704 def __init__(self, *args):
2705 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2706 if self.__class__ == OneDimensionalDistribution:
2710 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2712 if self.__class__ != OneDimensionalDistribution:
2713 _director_objects.register(self)
2718 def evaluate(self, *args):
2720 evaluate(OneDimensionalDistribution self, double v) -> double
2721 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2723 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2725 def get_density(self, *args):
2727 get_density(OneDimensionalDistribution self, double v) -> double
2728 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2730 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2732 def get_type_name(self):
2733 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2734 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2737 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2738 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2739 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2742 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2743 return _IMP_isd.OneDimensionalDistribution___str__(self)
2746 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
2747 return _IMP_isd.OneDimensionalDistribution___repr__(self)
2751 return _object_cast_to_OneDimensionalDistribution(o)
2754 def do_show(self, out):
2759 return _object_cast_to_OneDimensionalDistribution(o)
2761 def __disown__(self):
2763 _IMP_isd.disown_OneDimensionalDistribution(self)
2764 return weakref.proxy(self)
2767 r"""do_destroy(OneDimensionalDistribution self)"""
2768 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
2771 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
2772 class OneDimensionalSufficientDistribution(Distribution):
2773 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
2775 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2777 def do_update_sufficient_statistics(self, vs):
2778 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2779 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
2781 def do_get_sufficient_statistics(self):
2782 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2783 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
2785 def do_evaluate(self):
2786 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
2787 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
2789 def do_get_density(self):
2790 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
2791 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
2793 def __init__(self, *args):
2794 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
2795 if self.__class__ == OneDimensionalSufficientDistribution:
2799 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
2801 if self.__class__ != OneDimensionalSufficientDistribution:
2802 _director_objects.register(self)
2807 def update_sufficient_statistics(self, vs):
2808 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2809 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
2811 def get_sufficient_statistics(self):
2812 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2813 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
2816 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
2817 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
2819 def get_density(self):
2820 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
2821 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
2823 def get_type_name(self):
2824 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
2825 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
2828 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
2829 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
2830 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
2833 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
2834 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
2837 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
2838 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
2842 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2845 def do_show(self, out):
2850 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2852 def __disown__(self):
2854 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
2855 return weakref.proxy(self)
2858 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
2859 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
2862 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
2863 class FNormal(OneDimensionalSufficientDistribution):
2864 r"""Proxy of C++ IMP::isd::FNormal class."""
2866 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2868 def __init__(self, FA, JA, FM, sigma):
2869 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
2870 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
2872 def update_sufficient_statistics(self, FA):
2873 r"""update_sufficient_statistics(FNormal self, double FA)"""
2874 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
2876 def do_update_sufficient_statistics(self, data):
2877 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
2878 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
2880 def do_get_sufficient_statistics(self):
2881 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
2882 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
2884 def do_evaluate(self):
2885 r"""do_evaluate(FNormal self) -> double"""
2886 return _IMP_isd.FNormal_do_evaluate(self)
2888 def evaluate_derivative_FA(self):
2889 r"""evaluate_derivative_FA(FNormal self) -> double"""
2890 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
2892 def evaluate_derivative_JA(self):
2893 r"""evaluate_derivative_JA(FNormal self) -> double"""
2894 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
2896 def evaluate_derivative_FM(self):
2897 r"""evaluate_derivative_FM(FNormal self) -> double"""
2898 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
2900 def evaluate_derivative_sigma(self):
2901 r"""evaluate_derivative_sigma(FNormal self) -> double"""
2902 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
2904 def do_get_density(self):
2905 r"""do_get_density(FNormal self) -> double"""
2906 return _IMP_isd.FNormal_do_get_density(self)
2908 def set_FA(self, f):
2909 r"""set_FA(FNormal self, double f)"""
2910 return _IMP_isd.FNormal_set_FA(self, f)
2912 def set_JA(self, f):
2913 r"""set_JA(FNormal self, double f)"""
2914 return _IMP_isd.FNormal_set_JA(self, f)
2916 def set_FM(self, f):
2917 r"""set_FM(FNormal self, double f)"""
2918 return _IMP_isd.FNormal_set_FM(self, f)
2920 def set_sigma(self, f):
2921 r"""set_sigma(FNormal self, double f)"""
2922 return _IMP_isd.FNormal_set_sigma(self, f)
2923 __swig_destroy__ = _IMP_isd.delete_FNormal
2926 r"""__str__(FNormal self) -> std::string"""
2927 return _IMP_isd.FNormal___str__(self)
2930 r"""__repr__(FNormal self) -> std::string"""
2931 return _IMP_isd.FNormal___repr__(self)
2935 return _object_cast_to_FNormal(o)
2939 _IMP_isd.FNormal_swigregister(FNormal)
2940 class FStudentT(OneDimensionalSufficientDistribution):
2941 r"""Proxy of C++ IMP::isd::FStudentT class."""
2943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2945 def __init__(self, *args):
2947 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
2948 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
2950 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
2952 def update_sufficient_statistics(self, FXs, JXs):
2953 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
2954 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
2956 def evaluate_derivative_Fx(self, Fx):
2957 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
2958 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
2960 def evaluate_derivative_FX(self, FXs):
2961 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
2962 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
2964 def evaluate_derivative_LogJX(self):
2965 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
2966 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
2968 def evaluate_derivative_FM(self):
2969 r"""evaluate_derivative_FM(FStudentT self) -> double"""
2970 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
2972 def evaluate_derivative_sigma(self):
2973 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
2974 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
2976 def evaluate_derivative_nu(self):
2977 r"""evaluate_derivative_nu(FStudentT self) -> double"""
2978 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
2980 def update_cached_values(self):
2981 r"""update_cached_values(FStudentT self)"""
2982 return _IMP_isd.FStudentT_update_cached_values(self)
2984 def set_sumFX(self, v):
2985 r"""set_sumFX(FStudentT self, double v)"""
2986 return _IMP_isd.FStudentT_set_sumFX(self, v)
2988 def set_sumFX2(self, v):
2989 r"""set_sumFX2(FStudentT self, double v)"""
2990 return _IMP_isd.FStudentT_set_sumFX2(self, v)
2993 r"""set_N(FStudentT self, unsigned int v)"""
2994 return _IMP_isd.FStudentT_set_N(self, v)
2996 def set_LogJX(self, v):
2997 r"""set_LogJX(FStudentT self, double v)"""
2998 return _IMP_isd.FStudentT_set_LogJX(self, v)
3000 def set_FM(self, v):
3001 r"""set_FM(FStudentT self, double v)"""
3002 return _IMP_isd.FStudentT_set_FM(self, v)
3004 def set_sigma(self, v):
3005 r"""set_sigma(FStudentT self, double v)"""
3006 return _IMP_isd.FStudentT_set_sigma(self, v)
3008 def set_nu(self, v):
3009 r"""set_nu(FStudentT self, double v)"""
3010 return _IMP_isd.FStudentT_set_nu(self, v)
3012 def get_sumFX(self):
3013 r"""get_sumFX(FStudentT self) -> double"""
3014 return _IMP_isd.FStudentT_get_sumFX(self)
3016 def get_sumFX2(self):
3017 r"""get_sumFX2(FStudentT self) -> double"""
3018 return _IMP_isd.FStudentT_get_sumFX2(self)
3021 r"""get_N(FStudentT self) -> unsigned int"""
3022 return _IMP_isd.FStudentT_get_N(self)
3024 def get_LogJX(self):
3025 r"""get_LogJX(FStudentT self) -> double"""
3026 return _IMP_isd.FStudentT_get_LogJX(self)
3029 r"""get_FM(FStudentT self) -> double"""
3030 return _IMP_isd.FStudentT_get_FM(self)
3032 def get_sigma(self):
3033 r"""get_sigma(FStudentT self) -> double"""
3034 return _IMP_isd.FStudentT_get_sigma(self)
3037 r"""get_nu(FStudentT self) -> double"""
3038 return _IMP_isd.FStudentT_get_nu(self)
3039 __swig_destroy__ = _IMP_isd.delete_FStudentT
3042 r"""__str__(FStudentT self) -> std::string"""
3043 return _IMP_isd.FStudentT___str__(self)
3046 r"""__repr__(FStudentT self) -> std::string"""
3047 return _IMP_isd.FStudentT___repr__(self)
3051 return _object_cast_to_FStudentT(o)
3055 _IMP_isd.FStudentT_swigregister(FStudentT)
3057 r"""Proxy of C++ IMP::isd::vonMises class."""
3059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3061 def __init__(self, x, mu, kappa):
3062 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3063 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3066 r"""evaluate(vonMises self) -> double"""
3067 return _IMP_isd.vonMises_evaluate(self)
3069 def evaluate_derivative_x(self):
3070 r"""evaluate_derivative_x(vonMises self) -> double"""
3071 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3073 def evaluate_derivative_mu(self):
3074 r"""evaluate_derivative_mu(vonMises self) -> double"""
3075 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3077 def evaluate_derivative_kappa(self):
3078 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3079 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3082 r"""density(vonMises self) -> double"""
3083 return _IMP_isd.vonMises_density(self)
3086 r"""set_x(vonMises self, double x)"""
3087 return _IMP_isd.vonMises_set_x(self, x)
3089 def set_mu(self, mu):
3090 r"""set_mu(vonMises self, double mu)"""
3091 return _IMP_isd.vonMises_set_mu(self, mu)
3093 def set_kappa(self, kappa):
3094 r"""set_kappa(vonMises self, double kappa)"""
3095 return _IMP_isd.vonMises_set_kappa(self, kappa)
3098 r"""get_version_info(vonMises self) -> VersionInfo"""
3099 return _IMP_isd.vonMises_get_version_info(self)
3100 __swig_destroy__ = _IMP_isd.delete_vonMises
3103 r"""__str__(vonMises self) -> std::string"""
3104 return _IMP_isd.vonMises___str__(self)
3107 r"""__repr__(vonMises self) -> std::string"""
3108 return _IMP_isd.vonMises___repr__(self)
3112 return _object_cast_to_vonMises(o)
3116 _IMP_isd.vonMises_swigregister(vonMises)
3118 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3120 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3122 def __init__(self, *args):
3124 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3125 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3127 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3130 r"""evaluate(vonMisesSufficient self) -> double"""
3131 return _IMP_isd.vonMisesSufficient_evaluate(self)
3133 def evaluate_derivative_x(self):
3134 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3135 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3137 def evaluate_derivative_kappa(self):
3138 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3139 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3142 r"""density(vonMisesSufficient self) -> double"""
3143 return _IMP_isd.vonMisesSufficient_density(self)
3146 r"""get_x(vonMisesSufficient self) -> double"""
3147 return _IMP_isd.vonMisesSufficient_get_x(self)
3150 r"""get_R0(vonMisesSufficient self) -> double"""
3151 return _IMP_isd.vonMisesSufficient_get_R0(self)
3153 def get_chiexp(self):
3154 r"""get_chiexp(vonMisesSufficient self) -> double"""
3155 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3158 r"""get_N(vonMisesSufficient self) -> double"""
3159 return _IMP_isd.vonMisesSufficient_get_N(self)
3161 def get_kappa(self):
3162 r"""get_kappa(vonMisesSufficient self) -> double"""
3163 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3166 r"""set_x(vonMisesSufficient self, double x)"""
3167 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3169 def set_R0(self, R0):
3170 r"""set_R0(vonMisesSufficient self, double R0)"""
3171 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3173 def set_chiexp(self, chiexp):
3174 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3175 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3178 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3179 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3181 def set_kappa(self, kappa):
3182 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3183 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3186 def get_sufficient_statistics(data):
3187 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3188 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3191 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3192 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3193 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3196 r"""__str__(vonMisesSufficient self) -> std::string"""
3197 return _IMP_isd.vonMisesSufficient___str__(self)
3200 r"""__repr__(vonMisesSufficient self) -> std::string"""
3201 return _IMP_isd.vonMisesSufficient___repr__(self)
3205 return _object_cast_to_vonMisesSufficient(o)
3209 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3210 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3211 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3215 def __init__(self, *args):
3216 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3217 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3219 def update_sufficient_statistics(self, Dxis, Jxis):
3220 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3221 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3223 def evaluate_derivative_Dxi(self):
3224 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3225 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3227 def evaluate_derivative_Jxi(self):
3228 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3229 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3231 def evaluate_derivative_alpha(self):
3232 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3233 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3235 def evaluate_derivative_xi(self, JJxi):
3236 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3237 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3239 def set_Dxi(self, v):
3240 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3241 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3243 def set_Jxi(self, v):
3244 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3245 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3247 def set_alpha(self, v):
3248 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3249 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3252 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3253 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3256 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3257 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3259 def get_alpha(self):
3260 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3261 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3262 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3265 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3266 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3269 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3270 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3274 return _object_cast_to_PenalizedComplexityPrior(o)
3278 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3280 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3282 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3284 def __init__(self, m, kappa):
3285 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3286 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3289 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3290 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3293 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3294 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3295 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3297 def get_probability(self):
3298 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3299 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3302 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3303 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3306 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3307 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3311 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3315 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3317 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3321 def __init__(self, m, kappa, c=10.0, R0=0.0):
3322 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3323 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3326 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3327 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3330 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3331 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3332 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3334 def get_probability(self):
3335 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3336 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3339 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3340 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3343 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3344 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3348 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3352 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3354 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3358 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3359 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3360 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3362 def get_probability(self):
3363 r"""get_probability(NOERestraint self) -> double"""
3364 return _IMP_isd.NOERestraint_get_probability(self)
3367 r"""get_chi(NOERestraint self) -> double"""
3368 return _IMP_isd.NOERestraint_get_chi(self)
3371 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3372 return _IMP_isd.NOERestraint_do_get_inputs(self)
3375 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3376 return _IMP_isd.NOERestraint_get_version_info(self)
3377 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3380 r"""__str__(NOERestraint self) -> std::string"""
3381 return _IMP_isd.NOERestraint___str__(self)
3384 r"""__repr__(NOERestraint self) -> std::string"""
3385 return _IMP_isd.NOERestraint___repr__(self)
3389 return _object_cast_to_NOERestraint(o)
3393 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3395 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3397 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3399 def __init__(self, *args):
3401 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3402 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3403 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3404 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3405 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3406 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3407 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3409 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3411 def get_probability(self):
3412 r"""get_probability(GaussianRestraint self) -> double"""
3413 return _IMP_isd.GaussianRestraint_get_probability(self)
3416 r"""get_chi(GaussianRestraint self) -> double"""
3417 return _IMP_isd.GaussianRestraint_get_chi(self)
3420 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3421 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3424 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3425 return _IMP_isd.GaussianRestraint_get_version_info(self)
3426 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3429 r"""__str__(GaussianRestraint self) -> std::string"""
3430 return _IMP_isd.GaussianRestraint___str__(self)
3433 r"""__repr__(GaussianRestraint self) -> std::string"""
3434 return _IMP_isd.GaussianRestraint___repr__(self)
3438 return _object_cast_to_GaussianRestraint(o)
3442 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3444 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3446 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3448 def __init__(self, *args):
3450 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3451 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3452 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3453 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3454 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3455 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3456 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3457 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3458 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3459 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3460 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3461 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3462 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3463 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3464 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3466 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3468 def get_probability(self):
3469 r"""get_probability(StudentTRestraint self) -> double"""
3470 return _IMP_isd.StudentTRestraint_get_probability(self)
3473 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3474 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3477 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3478 return _IMP_isd.StudentTRestraint_get_version_info(self)
3479 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3482 r"""__str__(StudentTRestraint self) -> std::string"""
3483 return _IMP_isd.StudentTRestraint___str__(self)
3486 r"""__repr__(StudentTRestraint self) -> std::string"""
3487 return _IMP_isd.StudentTRestraint___repr__(self)
3491 return _object_cast_to_StudentTRestraint(o)
3495 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3497 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3499 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3501 def __init__(self, *args):
3503 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3504 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3505 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3506 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3507 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3508 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3509 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3511 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3513 def get_probability(self):
3514 r"""get_probability(LognormalRestraint self) -> double"""
3515 return _IMP_isd.LognormalRestraint_get_probability(self)
3518 r"""get_chi(LognormalRestraint self) -> double"""
3519 return _IMP_isd.LognormalRestraint_get_chi(self)
3522 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3523 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3526 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3527 return _IMP_isd.LognormalRestraint_get_version_info(self)
3528 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3531 r"""__str__(LognormalRestraint self) -> std::string"""
3532 return _IMP_isd.LognormalRestraint___str__(self)
3535 r"""__repr__(LognormalRestraint self) -> std::string"""
3536 return _IMP_isd.LognormalRestraint___repr__(self)
3540 return _object_cast_to_LognormalRestraint(o)
3544 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3546 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3548 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3550 def __init__(self, p1, p2, ki, sigmaG):
3551 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3552 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3554 def add_contribution(self, lexp, omega):
3555 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3556 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3558 def get_number_of_contributions(self):
3559 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3560 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3562 def draw_k_from_posterior(self, kt):
3563 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3564 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3566 def get_probability(self):
3567 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3568 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3571 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3572 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3575 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3576 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3577 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3580 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3581 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3584 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3585 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3589 return _object_cast_to_LognormalAmbiguousRestraint(o)
3593 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3595 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3599 def __init__(self, *args):
3601 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3602 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3604 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3606 def get_probability(self):
3607 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3608 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3611 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3612 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3615 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3616 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3619 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3620 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3621 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3624 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3625 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3628 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3629 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3633 return _object_cast_to_AmbiguousNOERestraint(o)
3636 def _get_as_binary(self):
3637 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3638 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3640 def _set_from_binary(self, p):
3641 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3642 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3644 def __getstate__(self):
3645 p = self._get_as_binary()
3646 if len(self.__dict__) > 1:
3647 d = self.__dict__.copy()
3652 def __setstate__(self, p):
3653 if not hasattr(self,
'this'):
3655 if isinstance(p, tuple):
3657 self.__dict__.update(d)
3658 return self._set_from_binary(p)
3662 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3664 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3668 def __init__(self, m):
3669 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3670 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3672 def add_contribution(self, *args):
3674 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3675 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3677 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3679 def get_log_gammahat(self):
3680 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3681 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3684 r"""get_SS(MarginalNOERestraint self) -> double"""
3685 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3687 def get_number_of_contributions(self):
3688 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3689 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3691 def get_probability(self):
3692 r"""get_probability(MarginalNOERestraint self) -> double"""
3693 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3696 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3697 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3700 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3701 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3702 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3705 r"""__str__(MarginalNOERestraint self) -> std::string"""
3706 return _IMP_isd.MarginalNOERestraint___str__(self)
3709 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3710 return _IMP_isd.MarginalNOERestraint___repr__(self)
3714 return _object_cast_to_MarginalNOERestraint(o)
3718 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3720 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3722 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3724 def __init__(self, m):
3725 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3726 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3728 def add_contribution(self, *args):
3730 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3731 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3733 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3735 def get_logsquares(self):
3736 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3737 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3739 def get_number_of_contributions(self):
3740 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3741 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3743 def get_probability(self):
3744 r"""get_probability(MarginalHBondRestraint self) -> double"""
3745 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
3748 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
3749 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
3752 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
3753 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
3754 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
3757 r"""__str__(MarginalHBondRestraint self) -> std::string"""
3758 return _IMP_isd.MarginalHBondRestraint___str__(self)
3761 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
3762 return _IMP_isd.MarginalHBondRestraint___repr__(self)
3766 return _object_cast_to_MarginalHBondRestraint(o)
3770 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
3772 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
3774 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3776 def __init__(self, *args):
3778 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
3779 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
3780 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3781 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3783 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
3785 def get_probability(self):
3786 r"""get_probability(TALOSRestraint self) -> double"""
3787 return _IMP_isd.TALOSRestraint_get_probability(self)
3790 r"""get_R0(TALOSRestraint self) -> double"""
3791 return _IMP_isd.TALOSRestraint_get_R0(self)
3793 def get_chiexp(self):
3794 r"""get_chiexp(TALOSRestraint self) -> double"""
3795 return _IMP_isd.TALOSRestraint_get_chiexp(self)
3798 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
3799 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
3802 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
3803 return _IMP_isd.TALOSRestraint_get_version_info(self)
3804 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
3807 r"""__str__(TALOSRestraint self) -> std::string"""
3808 return _IMP_isd.TALOSRestraint___str__(self)
3811 r"""__repr__(TALOSRestraint self) -> std::string"""
3812 return _IMP_isd.TALOSRestraint___repr__(self)
3816 return _object_cast_to_TALOSRestraint(o)
3820 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
3822 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
3824 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3826 def __init__(self, d0, k):
3827 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
3828 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
3830 def get_rest_length(self):
3831 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
3832 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
3834 def get_stiffness(self):
3835 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
3836 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
3839 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3840 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
3842 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3843 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"""
3844 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3846 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3847 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"""
3848 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3850 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3851 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"""
3852 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3854 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3855 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"""
3856 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3859 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
3860 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
3861 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
3864 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
3865 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
3868 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
3869 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
3873 return _object_cast_to_RepulsiveDistancePairScore(o)
3877 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
3879 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
3881 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3883 def __init__(self, *args):
3885 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
3886 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
3887 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
3889 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
3891 def get_probability(self):
3892 r"""get_probability(AmbiguousRestraint self) -> double"""
3893 return _IMP_isd.AmbiguousRestraint_get_probability(self)
3896 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3897 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
3900 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
3901 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
3902 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
3905 r"""__str__(AmbiguousRestraint self) -> std::string"""
3906 return _IMP_isd.AmbiguousRestraint___str__(self)
3909 r"""__repr__(AmbiguousRestraint self) -> std::string"""
3910 return _IMP_isd.AmbiguousRestraint___repr__(self)
3914 return _object_cast_to_AmbiguousRestraint(o)
3917 def _get_as_binary(self):
3918 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
3919 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
3921 def _set_from_binary(self, p):
3922 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
3923 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
3925 def __getstate__(self):
3926 p = self._get_as_binary()
3927 if len(self.__dict__) > 1:
3928 d = self.__dict__.copy()
3933 def __setstate__(self, p):
3934 if not hasattr(self,
'this'):
3936 if isinstance(p, tuple):
3938 self.__dict__.update(d)
3939 return self._set_from_binary(p)
3943 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
3944 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
3947 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
3949 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3951 def __init__(self, *args, **kwargs):
3952 raise AttributeError(
"No constructor defined - class is abstract")
3954 def __call__(self, *args):
3956 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
3957 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
3958 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
3960 return _IMP_isd.UnivariateFunction___call__(self, *args)
3962 def has_changed(self):
3963 r"""has_changed(UnivariateFunction self) -> bool"""
3964 return _IMP_isd.UnivariateFunction_has_changed(self)
3967 r"""update(UnivariateFunction self)"""
3968 return _IMP_isd.UnivariateFunction_update(self)
3970 def add_to_derivatives(self, x, accum):
3971 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
3972 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
3974 def add_to_particle_derivative(self, particle_no, value, accum):
3975 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
3976 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
3978 def get_derivative_vector(self, particle_no, xlist):
3979 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
3980 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
3982 def get_derivative_matrix(self, xlist, stupid):
3983 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
3984 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
3986 def get_second_derivative_vector(self, *args):
3988 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
3989 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
3991 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
3993 def get_ndims_x(self):
3994 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
3995 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
3997 def get_ndims_y(self):
3998 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
3999 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4001 def get_number_of_particles(self):
4002 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4003 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4005 def get_particle_is_optimized(self, particle_no):
4006 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4007 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4009 def get_number_of_optimized_particles(self):
4010 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4011 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4014 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4015 return _IMP_isd.UnivariateFunction_get_inputs(self)
4016 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4019 r"""__str__(UnivariateFunction self) -> std::string"""
4020 return _IMP_isd.UnivariateFunction___str__(self)
4023 r"""__repr__(UnivariateFunction self) -> std::string"""
4024 return _IMP_isd.UnivariateFunction___repr__(self)
4028 return _object_cast_to_UnivariateFunction(o)
4032 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4033 class Linear1DFunction(UnivariateFunction):
4034 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4036 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4038 def __init__(self, a, b):
4039 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4040 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4042 def __call__(self, *args):
4044 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4045 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4046 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4048 return _IMP_isd.Linear1DFunction___call__(self, *args)
4050 def get_second_derivative_vector(self, *args):
4052 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4053 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4055 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4058 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4059 return _IMP_isd.Linear1DFunction_get_version_info(self)
4060 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4063 r"""__str__(Linear1DFunction self) -> std::string"""
4064 return _IMP_isd.Linear1DFunction___str__(self)
4067 r"""__repr__(Linear1DFunction self) -> std::string"""
4068 return _IMP_isd.Linear1DFunction___repr__(self)
4072 return _object_cast_to_Linear1DFunction(o)
4076 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4077 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4078 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4080 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4082 def __init__(self, G, Rg, d, s, A):
4083 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4084 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4086 def __call__(self, *args):
4088 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4089 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4090 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4092 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4094 def get_second_derivative_vector(self, *args):
4096 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4097 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4099 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4102 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4103 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4104 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4107 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4108 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4111 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4112 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4116 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4120 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4121 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4124 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4128 def __init__(self, *args, **kwargs):
4129 raise AttributeError(
"No constructor defined - class is abstract")
4131 def __call__(self, *args):
4133 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4134 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4135 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4137 return _IMP_isd.BivariateFunction___call__(self, *args)
4139 def has_changed(self):
4140 r"""has_changed(BivariateFunction self) -> bool"""
4141 return _IMP_isd.BivariateFunction_has_changed(self)
4144 r"""update(BivariateFunction self)"""
4145 return _IMP_isd.BivariateFunction_update(self)
4147 def add_to_derivatives(self, x1, x2, accum):
4148 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4149 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4151 def add_to_particle_derivative(self, particle_no, value, accum):
4152 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4153 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4155 def get_derivative_matrix(self, *args):
4157 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4158 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4160 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4162 def get_second_derivative_matrix(self, *args):
4164 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4165 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4167 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4169 def get_ndims_x1(self):
4170 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4171 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4173 def get_ndims_x2(self):
4174 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4175 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4177 def get_ndims_y(self):
4178 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4179 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4181 def get_number_of_particles(self):
4182 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4183 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4185 def get_particle_is_optimized(self, particle_no):
4186 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4187 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4189 def get_number_of_optimized_particles(self):
4190 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4191 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4194 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4195 return _IMP_isd.BivariateFunction_get_inputs(self)
4196 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4199 r"""__str__(BivariateFunction self) -> std::string"""
4200 return _IMP_isd.BivariateFunction___str__(self)
4203 r"""__repr__(BivariateFunction self) -> std::string"""
4204 return _IMP_isd.BivariateFunction___repr__(self)
4208 return _object_cast_to_BivariateFunction(o)
4212 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4213 class Covariance1DFunction(BivariateFunction):
4214 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4218 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4219 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4220 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4222 def __call__(self, *args):
4224 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4225 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4226 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4228 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4230 def get_derivative_matrix(self, *args):
4232 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4233 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4235 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4237 def get_second_derivative_matrix(self, *args):
4239 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4240 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4242 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4245 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4246 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4247 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4250 r"""__str__(Covariance1DFunction self) -> std::string"""
4251 return _IMP_isd.Covariance1DFunction___str__(self)
4254 r"""__repr__(Covariance1DFunction self) -> std::string"""
4255 return _IMP_isd.Covariance1DFunction___repr__(self)
4259 return _object_cast_to_Covariance1DFunction(o)
4263 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4264 class GaussianProcessInterpolation(
IMP.Object):
4265 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4269 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4270 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"""
4271 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4273 def get_posterior_mean(self, x):
4274 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4275 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4277 def get_posterior_covariance(self, x1, x2):
4278 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4279 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4281 def get_posterior_covariance_matrix(self, x, arg3):
4282 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4283 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4285 def get_posterior_covariance_derivative(self, x, arg3):
4286 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4287 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4289 def get_posterior_covariance_hessian(self, x, arg3):
4290 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4291 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4294 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4295 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4297 def force_mean_update(self):
4298 r"""force_mean_update(GaussianProcessInterpolation self)"""
4299 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4301 def force_covariance_update(self):
4302 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4303 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4305 def get_number_of_m_particles(self):
4306 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4307 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4309 def get_m_particle_is_optimized(self, i):
4310 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4311 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4313 def get_number_of_Omega_particles(self):
4314 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4315 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4317 def get_Omega_particle_is_optimized(self, i):
4318 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4319 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4321 def get_data_abscissa(self):
4322 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4323 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4325 def get_data_mean(self):
4326 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4327 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4329 def get_data_variance(self):
4330 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4331 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4334 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4335 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4336 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4339 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4340 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4343 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4344 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4348 return _object_cast_to_GaussianProcessInterpolation(o)
4352 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4354 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4358 def __init__(self, m, gpi):
4359 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4360 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4362 def get_probability(self):
4363 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4364 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4366 def set_use_cg(self, use, tol):
4367 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4368 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4370 def get_minus_log_normalization(self):
4371 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4372 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4374 def get_minus_exponent(self):
4375 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4376 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4378 def get_logdet_hessian(self):
4379 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4380 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4382 def get_hessian(self, *args):
4384 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4385 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4387 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4390 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4391 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4394 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4395 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4396 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4399 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4400 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4403 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4404 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4408 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4412 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4414 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4416 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4418 def __init__(self, m=None):
4419 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4420 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4423 r"""__str__(MolecularDynamics self) -> std::string"""
4424 return _IMP_isd.MolecularDynamics___str__(self)
4427 r"""__repr__(MolecularDynamics self) -> std::string"""
4428 return _IMP_isd.MolecularDynamics___repr__(self)
4432 return _object_cast_to_MolecularDynamics(o)
4434 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4437 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4439 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4441 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4443 def __init__(self, m, nsteps=100, timestep=1.):
4444 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4445 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4448 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4449 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4451 def get_number_of_md_steps(self):
4452 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4453 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4455 def set_number_of_md_steps(self, nsteps):
4456 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4457 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4460 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4461 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4462 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4465 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4466 return _IMP_isd.MolecularDynamicsMover___str__(self)
4469 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4470 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4474 return _object_cast_to_MolecularDynamicsMover(o)
4478 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4480 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4482 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4484 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4485 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"""
4486 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4488 def get_kinetic_energy(self):
4489 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4490 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4492 def get_potential_energy(self):
4493 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4494 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4496 def get_total_energy(self):
4497 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4498 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4500 def set_timestep(self, ts):
4501 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4502 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4504 def get_timestep(self):
4505 r"""get_timestep(HybridMonteCarlo self) -> double"""
4506 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4508 def set_number_of_md_steps(self, nsteps):
4509 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4510 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4512 def get_number_of_md_steps(self):
4513 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4514 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4516 def set_persistence(self, persistence=1):
4517 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4518 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4520 def get_persistence(self):
4521 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4522 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4525 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4526 return _IMP_isd.HybridMonteCarlo_get_md(self)
4528 def do_evaluate(self, arg2, arg3):
4529 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4530 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4533 r"""do_step(HybridMonteCarlo self)"""
4534 return _IMP_isd.HybridMonteCarlo_do_step(self)
4535 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4538 r"""__str__(HybridMonteCarlo self) -> std::string"""
4539 return _IMP_isd.HybridMonteCarlo___str__(self)
4542 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4543 return _IMP_isd.HybridMonteCarlo___repr__(self)
4547 return _object_cast_to_HybridMonteCarlo(o)
4551 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4553 r"""Proxy of C++ IMP::isd::FretData class."""
4555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4557 def __init__(self, *args):
4559 __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
4560 __init__(FretData self) -> FretData
4562 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4564 def get_closest(self, vec, value):
4565 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4566 return _IMP_isd.FretData_get_closest(self, vec, value)
4568 def get_probability(self, distn, dist, sigma):
4569 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4570 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4572 def get_kernel(self, dist, R0):
4573 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4574 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4576 def get_marginal_element(self, d_term, d_center, sigma):
4577 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4578 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4581 r"""get_version_info(FretData self) -> VersionInfo"""
4582 return _IMP_isd.FretData_get_version_info(self)
4583 __swig_destroy__ = _IMP_isd.delete_FretData
4586 r"""__str__(FretData self) -> std::string"""
4587 return _IMP_isd.FretData___str__(self)
4590 r"""__repr__(FretData self) -> std::string"""
4591 return _IMP_isd.FretData___repr__(self)
4595 return _object_cast_to_FretData(o)
4598 def _get_as_binary(self):
4599 r"""_get_as_binary(FretData self) -> PyObject *"""
4600 return _IMP_isd.FretData__get_as_binary(self)
4602 def _set_from_binary(self, p):
4603 r"""_set_from_binary(FretData self, PyObject * p)"""
4604 return _IMP_isd.FretData__set_from_binary(self, p)
4606 def __getstate__(self):
4607 p = self._get_as_binary()
4608 if len(self.__dict__) > 1:
4609 d = self.__dict__.copy()
4614 def __setstate__(self, p):
4615 if not hasattr(self,
'this'):
4617 if isinstance(p, tuple):
4619 self.__dict__.update(d)
4620 return self._set_from_binary(p)
4624 _IMP_isd.FretData_swigregister(FretData)
4626 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4628 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4630 def __init__(self, *args):
4632 __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
4633 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4634 __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
4635 __init__(FretRestraint self) -> FretRestraint
4637 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4639 def get_sumFi(self):
4640 r"""get_sumFi(FretRestraint self) -> double"""
4641 return _IMP_isd.FretRestraint_get_sumFi(self)
4643 def get_average_sigma(self, fmod):
4644 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4645 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4647 def get_standard_error(self):
4648 r"""get_standard_error(FretRestraint self) -> double"""
4649 return _IMP_isd.FretRestraint_get_standard_error(self)
4651 def get_model_fretr(self):
4652 r"""get_model_fretr(FretRestraint self) -> double"""
4653 return _IMP_isd.FretRestraint_get_model_fretr(self)
4655 def get_probability(self):
4656 r"""get_probability(FretRestraint self) -> double"""
4657 return _IMP_isd.FretRestraint_get_probability(self)
4659 def get_experimental_value(self):
4660 r"""get_experimental_value(FretRestraint self) -> double"""
4661 return _IMP_isd.FretRestraint_get_experimental_value(self)
4663 def set_experimental_value(self, fexp):
4664 r"""set_experimental_value(FretRestraint self, double fexp)"""
4665 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4668 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4669 return _IMP_isd.FretRestraint_do_get_inputs(self)
4672 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4673 return _IMP_isd.FretRestraint_get_version_info(self)
4674 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4677 r"""__str__(FretRestraint self) -> std::string"""
4678 return _IMP_isd.FretRestraint___str__(self)
4681 r"""__repr__(FretRestraint self) -> std::string"""
4682 return _IMP_isd.FretRestraint___repr__(self)
4686 return _object_cast_to_FretRestraint(o)
4689 def _get_as_binary(self):
4690 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4691 return _IMP_isd.FretRestraint__get_as_binary(self)
4693 def _set_from_binary(self, p):
4694 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4695 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4697 def __getstate__(self):
4698 p = self._get_as_binary()
4699 if len(self.__dict__) > 1:
4700 d = self.__dict__.copy()
4705 def __setstate__(self, p):
4706 if not hasattr(self,
'this'):
4708 if isinstance(p, tuple):
4710 self.__dict__.update(d)
4711 return self._set_from_binary(p)
4715 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4717 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4721 def __init__(self, *args):
4723 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4724 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4726 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4728 def get_closest(self, vec, value):
4729 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4730 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4732 def get_omegas(self, fmods, omega0):
4733 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4734 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4736 def get_nonmarginal_elements(self, fexp, fmods, omega):
4737 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4738 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4740 def get_marginal_elements(self, fmods, omega0):
4741 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4742 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
4744 def get_omega(self, fmod, omega0):
4745 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4746 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
4748 def get_standard_deviation(self, fmod, omega0):
4749 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4750 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
4752 def get_nonmarginal_element(self, fexp, fmod, omega):
4753 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
4754 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
4756 def get_marginal_element(self, fmod, omega0):
4757 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4758 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
4761 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
4762 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
4763 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
4766 r"""__str__(CysteineCrossLinkData self) -> std::string"""
4767 return _IMP_isd.CysteineCrossLinkData___str__(self)
4770 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
4771 return _IMP_isd.CysteineCrossLinkData___repr__(self)
4775 return _object_cast_to_CysteineCrossLinkData(o)
4778 def _get_as_binary(self):
4779 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
4780 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
4782 def _set_from_binary(self, p):
4783 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
4784 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
4786 def __getstate__(self):
4787 p = self._get_as_binary()
4788 if len(self.__dict__) > 1:
4789 d = self.__dict__.copy()
4794 def __setstate__(self, p):
4795 if not hasattr(self,
'this'):
4797 if isinstance(p, tuple):
4799 self.__dict__.update(d)
4800 return self._set_from_binary(p)
4804 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
4806 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
4808 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4810 def __init__(self, *args):
4812 __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
4813 __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
4814 __init__(CrossLinkData self) -> CrossLinkData
4816 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
4818 def get_closest(self, vec, value):
4819 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
4820 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
4822 def get_omegas(self, sigma, dists):
4823 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4824 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
4826 def get_omega_prior(self, omega, omega0):
4827 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
4828 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
4830 def get_nonmarginal_elements(self, sigmai, dists):
4831 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
4832 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
4834 def get_marginal_elements(self, sigma, dists):
4835 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4836 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
4838 def get_marginal_maximum(self, *args):
4840 get_marginal_maximum(CrossLinkData self, double sigma) -> double
4841 get_marginal_maximum(CrossLinkData self) -> double
4843 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
4846 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
4847 return _IMP_isd.CrossLinkData_get_version_info(self)
4848 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
4851 r"""__str__(CrossLinkData self) -> std::string"""
4852 return _IMP_isd.CrossLinkData___str__(self)
4855 r"""__repr__(CrossLinkData self) -> std::string"""
4856 return _IMP_isd.CrossLinkData___repr__(self)
4860 return _object_cast_to_CrossLinkData(o)
4863 def _get_as_binary(self):
4864 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
4865 return _IMP_isd.CrossLinkData__get_as_binary(self)
4867 def _set_from_binary(self, p):
4868 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
4869 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
4871 def __getstate__(self):
4872 p = self._get_as_binary()
4873 if len(self.__dict__) > 1:
4874 d = self.__dict__.copy()
4879 def __setstate__(self, p):
4880 if not hasattr(self,
'this'):
4882 if isinstance(p, tuple):
4884 self.__dict__.update(d)
4885 return self._set_from_binary(p)
4889 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
4891 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
4893 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4895 def __init__(self, *args):
4897 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
4898 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
4899 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
4901 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
4903 def get_probability(self):
4904 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
4905 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
4907 def get_standard_error(self):
4908 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
4909 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
4911 def get_frequencies(self):
4912 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
4913 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
4915 def get_model_frequency(self):
4916 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
4917 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
4919 def get_distances(self):
4920 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
4921 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
4923 def get_truncated_normalization(self, mean, sigma):
4924 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
4925 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
4927 def get_normal_pdf(self, mean, sigma, x):
4928 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
4929 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
4931 def add_contribution(self, *args):
4933 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
4934 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
4936 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
4938 def get_CB_coordinates(self, ps):
4939 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
4940 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
4942 def get_number_of_contributions(self):
4943 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
4944 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
4947 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
4948 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
4951 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
4952 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
4953 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
4956 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
4957 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
4960 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
4961 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
4965 return _object_cast_to_CysteineCrossLinkRestraint(o)
4968 def _get_as_binary(self):
4969 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
4970 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
4972 def _set_from_binary(self, p):
4973 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
4974 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
4976 def __getstate__(self):
4977 p = self._get_as_binary()
4978 if len(self.__dict__) > 1:
4979 d = self.__dict__.copy()
4984 def __setstate__(self, p):
4985 if not hasattr(self,
'this'):
4987 if isinstance(p, tuple):
4989 self.__dict__.update(d)
4990 return self._set_from_binary(p)
4994 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
4996 r"""Proxy of C++ IMP::isd::WeightMover class."""
4998 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5000 def __init__(self, w, radius):
5001 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5002 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5004 def set_radius(self, radius):
5005 r"""set_radius(WeightMover self, IMP::Float radius)"""
5006 return _IMP_isd.WeightMover_set_radius(self, radius)
5008 def get_radius(self):
5009 r"""get_radius(WeightMover self) -> IMP::Float"""
5010 return _IMP_isd.WeightMover_get_radius(self)
5013 r"""get_version_info(WeightMover self) -> VersionInfo"""
5014 return _IMP_isd.WeightMover_get_version_info(self)
5015 __swig_destroy__ = _IMP_isd.delete_WeightMover
5018 r"""__str__(WeightMover self) -> std::string"""
5019 return _IMP_isd.WeightMover___str__(self)
5022 r"""__repr__(WeightMover self) -> std::string"""
5023 return _IMP_isd.WeightMover___repr__(self)
5027 return _object_cast_to_WeightMover(o)
5031 _IMP_isd.WeightMover_swigregister(WeightMover)
5033 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5035 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5037 def __init__(self, w, wmin, wmax, kappa):
5038 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5039 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5042 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5043 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5046 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5047 return _IMP_isd.WeightRestraint_get_version_info(self)
5048 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5051 r"""__str__(WeightRestraint self) -> std::string"""
5052 return _IMP_isd.WeightRestraint___str__(self)
5055 r"""__repr__(WeightRestraint self) -> std::string"""
5056 return _IMP_isd.WeightRestraint___repr__(self)
5060 return _object_cast_to_WeightRestraint(o)
5064 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5066 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5068 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5070 def __init__(self, *args):
5072 __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
5073 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5075 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5077 def add_contribution(self, ppi, sigmas):
5078 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5079 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5081 def evaluate_for_contributions(self, c, accum):
5082 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5083 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5085 def get_number_of_contributions(self):
5086 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5087 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5089 def get_contribution(self, i):
5090 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5091 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5093 def get_contribution_sigmas(self, i):
5094 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5095 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5098 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5099 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5102 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5103 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5105 def show(self, out):
5106 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5107 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5109 def set_slope(self, slope):
5110 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5111 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5113 def set_part_of_log_score(self, hey):
5114 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5115 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5118 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5119 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5120 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5123 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5124 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5127 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5128 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5132 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5135 def _get_as_binary(self):
5136 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5137 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5139 def _set_from_binary(self, p):
5140 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5141 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5143 def __getstate__(self):
5144 p = self._get_as_binary()
5145 if len(self.__dict__) > 1:
5146 d = self.__dict__.copy()
5151 def __setstate__(self, p):
5152 if not hasattr(self,
'this'):
5154 if isinstance(p, tuple):
5156 self.__dict__.update(d)
5157 return self._set_from_binary(p)
5161 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5163 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5167 def __init__(self, *args):
5169 __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
5170 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5172 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5174 def get_probability(self):
5175 r"""get_probability(GaussianEMRestraint self) -> double"""
5176 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5179 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5180 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5182 def set_density_filename(self, density_fn):
5183 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5184 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5186 def compute_initial_scores(self):
5187 r"""compute_initial_scores(GaussianEMRestraint self)"""
5188 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5190 def set_slope(self, s):
5191 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5192 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5194 def get_slope(self):
5195 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5196 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5199 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5200 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5202 def show(self, out):
5203 r"""show(GaussianEMRestraint self, _ostream out)"""
5204 return _IMP_isd.GaussianEMRestraint_show(self, out)
5207 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5208 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5209 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5212 r"""__str__(GaussianEMRestraint self) -> std::string"""
5213 return _IMP_isd.GaussianEMRestraint___str__(self)
5216 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5217 return _IMP_isd.GaussianEMRestraint___repr__(self)
5221 return _object_cast_to_GaussianEMRestraint(o)
5224 def _get_as_binary(self):
5225 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5226 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5228 def _set_from_binary(self, p):
5229 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5230 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5232 def __getstate__(self):
5233 p = self._get_as_binary()
5234 if len(self.__dict__) > 1:
5235 d = self.__dict__.copy()
5240 def __setstate__(self, p):
5241 if not hasattr(self,
'this'):
5243 if isinstance(p, tuple):
5245 self.__dict__.update(d)
5246 return self._set_from_binary(p)
5250 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5251 class GaussianAnchorEMRestraint(ISDRestraint):
5252 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5256 def __init__(self, *args):
5257 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"""
5258 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5260 def get_density_particles(self):
5261 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5262 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5263 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5266 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5267 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5270 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5271 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5275 return _object_cast_to_GaussianAnchorEMRestraint(o)
5279 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5281 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5285 def __init__(self, *args):
5286 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5287 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5289 def evaluate_at(self, val):
5290 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5291 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5294 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5295 return _IMP_isd.GammaPrior_do_get_inputs(self)
5298 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5299 return _IMP_isd.GammaPrior_get_version_info(self)
5300 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5302 def get_probability(self):
5303 r"""get_probability(GammaPrior self) -> double"""
5304 return _IMP_isd.GammaPrior_get_probability(self)
5307 r"""__str__(GammaPrior self) -> std::string"""
5308 return _IMP_isd.GammaPrior___str__(self)
5311 r"""__repr__(GammaPrior self) -> std::string"""
5312 return _IMP_isd.GammaPrior___repr__(self)
5316 return _object_cast_to_GammaPrior(o)
5320 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5322 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5323 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5324 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5326 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5328 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5330 def __init__(self, *args):
5331 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"""
5332 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5334 def add_pairs_container(self, pc):
5335 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5336 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5338 def add_contribution_particles(self, ppis1, ppis2):
5339 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5340 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5342 def evaluate_for_contributions(self, c):
5343 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5344 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5346 def get_number_of_contributions(self):
5347 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5348 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5350 def set_sigma(self, sigma):
5351 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5352 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5354 def set_cutoff(self, cutoff):
5355 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5356 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5358 def set_max_score(self, max_score):
5359 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5360 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5362 def set_yi(self, yi):
5363 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5364 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5366 def set_interpolation_factor(self, interpolation_factor):
5367 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5368 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5370 def set_part_of_log_score(self, hey):
5371 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5372 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5375 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5376 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5379 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5380 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5381 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5384 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5385 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5388 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5389 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5393 return _object_cast_to_ResidueProteinProximityRestraint(o)
5397 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5399 def get_module_name():
5400 r"""get_module_name() -> std::string const"""
5401 return _IMP_isd.get_module_name()
5404 r"""get_module_version() -> std::string const"""
5405 return _IMP_isd.get_module_version()
5408 r"""get_example_path(std::string fname) -> std::string"""
5409 return _IMP_isd.get_example_path(fname)
5412 r"""get_data_path(std::string fname) -> std::string"""
5413 return _IMP_isd.get_data_path(fname)
5415 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.