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_MULTIFIT_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_MULTIFIT_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_multifit.delete_IMP_MULTIFIT_SwigPyIterator
77 r"""value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
78 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
81 r"""incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
82 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
86 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
94 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
98 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
101 r"""next(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
102 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_next(self)
105 r"""__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
106 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
109 r"""previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
110 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
114 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
118 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
122 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
126 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
130 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
134 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
139 __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
146 _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
153 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
155 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
157 IMP_SILENT = _IMP_multifit.IMP_SILENT
159 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
161 IMP_TERSE = _IMP_multifit.IMP_TERSE
163 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
165 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
167 IMP_NONE = _IMP_multifit.IMP_NONE
169 IMP_USAGE = _IMP_multifit.IMP_USAGE
171 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_multifit.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_multifit.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_multifit.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_multifit.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
197 class _DirectorObjects:
198 """@internal Simple class to keep references to director objects
199 to prevent premature deletion."""
202 def register(self, obj):
203 """Take a reference to a director object; will only work for
204 refcounted C++ classes"""
205 if hasattr(obj,
'get_ref_count'):
206 self._objects.append(obj)
208 """Only drop our reference and allow cleanup by Python if no other
209 Python references exist (we hold 3 references: one in self._objects,
210 one in x, and one in the argument list for getrefcount) *and* no
211 other C++ references exist (the Python object always holds one)"""
212 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
213 or x.get_ref_count() > 1]
217 def get_object_count(self):
218 """Get number of director objects (useful for testing only)"""
219 return len(self._objects)
220 _director_objects = _DirectorObjects()
222 class _ostream(object):
223 r"""Proxy of C++ std::ostream class."""
225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
227 def __init__(self, *args, **kwargs):
228 raise AttributeError(
"No constructor defined")
229 __repr__ = _swig_repr
231 def write(self, osa_buf):
232 r"""write(_ostream self, char const * osa_buf)"""
233 return _IMP_multifit._ostream_write(self, osa_buf)
236 _IMP_multifit._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_multifit.IMP_C_OPEN_BINARY
240 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
242 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
244 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
246 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_SYSTEM
248 IMP_CGAL_HAS_NUMPY = _IMP_multifit.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_SYSTEM
263 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
265 IMP_ALGEBRA_HAS_NUMPY = _IMP_multifit.IMP_ALGEBRA_HAS_NUMPY
267 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
269 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
272 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
274 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
276 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
278 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
280 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_SYSTEM
282 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
284 IMP_DISPLAY_HAS_NUMPY = _IMP_multifit.IMP_DISPLAY_HAS_NUMPY
286 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
289 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
291 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
293 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
295 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
297 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
299 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
301 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
303 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_NUMPY
305 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
308 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
310 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
312 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
314 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
316 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_SYSTEM
318 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
320 IMP_STATISTICS_HAS_NUMPY = _IMP_multifit.IMP_STATISTICS_HAS_NUMPY
322 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
325 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
327 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
329 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
331 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
333 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
335 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_SYSTEM
337 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
339 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
341 IMP_CORE_HAS_NUMPY = _IMP_multifit.IMP_CORE_HAS_NUMPY
343 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
346 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
348 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
350 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
352 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
354 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
356 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
358 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
360 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
362 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_SYSTEM
364 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
366 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
368 IMP_CONTAINER_HAS_NUMPY = _IMP_multifit.IMP_CONTAINER_HAS_NUMPY
370 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_multifit.IMP_CONTAINER_HAS_PYTHON_IHM
372 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_multifit.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
374 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_multifit.IMP_CONTAINER_HAS_ROBIN_MAP
376 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
379 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
381 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
383 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
385 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
387 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
389 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
391 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ATOM_HAS_BOOST_SYSTEM
393 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
395 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
397 IMP_ATOM_HAS_NUMPY = _IMP_multifit.IMP_ATOM_HAS_NUMPY
399 IMP_ATOM_HAS_PYTHON_IHM = _IMP_multifit.IMP_ATOM_HAS_PYTHON_IHM
401 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
403 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
405 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
407 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
409 IMP_CHAIN_TYPE_INDEX = _IMP_multifit.IMP_CHAIN_TYPE_INDEX
412 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
414 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
416 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
418 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
420 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
422 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
424 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
426 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
428 IMP_EM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_SYSTEM
430 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
432 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
434 IMP_EM_HAS_NUMPY = _IMP_multifit.IMP_EM_HAS_NUMPY
436 IMP_EM_HAS_PYTHON_IHM = _IMP_multifit.IMP_EM_HAS_PYTHON_IHM
438 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
441 IMP_SAXS_HAS_IMP_CGAL = _IMP_multifit.IMP_SAXS_HAS_IMP_CGAL
443 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_multifit.IMP_SAXS_HAS_IMP_CONTAINER
445 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_multifit.IMP_SAXS_HAS_IMP_DISPLAY
447 IMP_SAXS_HAS_IMP_KERNEL = _IMP_multifit.IMP_SAXS_HAS_IMP_KERNEL
449 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
451 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SAXS_HAS_BOOST_FILESYSTEM
453 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
455 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SAXS_HAS_BOOST_RANDOM
457 IMP_SAXS_HAS_BOOST_REGEX = _IMP_multifit.IMP_SAXS_HAS_BOOST_REGEX
459 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_SAXS_HAS_BOOST_SYSTEM
461 IMP_SAXS_HAS_CGAL = _IMP_multifit.IMP_SAXS_HAS_CGAL
463 IMP_SAXS_HAS_HDF5 = _IMP_multifit.IMP_SAXS_HAS_HDF5
465 IMP_SAXS_HAS_NUMPY = _IMP_multifit.IMP_SAXS_HAS_NUMPY
467 IMP_SAXS_HAS_PYTHON_IHM = _IMP_multifit.IMP_SAXS_HAS_PYTHON_IHM
469 IMPSAXS_SHOW_WARNINGS = _IMP_multifit.IMPSAXS_SHOW_WARNINGS
472 IMP_ISD_HAS_IMP_CGAL = _IMP_multifit.IMP_ISD_HAS_IMP_CGAL
474 IMP_ISD_HAS_IMP_DISPLAY = _IMP_multifit.IMP_ISD_HAS_IMP_DISPLAY
476 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
478 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ISD_HAS_BOOST_FILESYSTEM
480 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
482 IMP_ISD_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ISD_HAS_BOOST_RANDOM
484 IMP_ISD_HAS_BOOST_REGEX = _IMP_multifit.IMP_ISD_HAS_BOOST_REGEX
486 IMP_ISD_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ISD_HAS_BOOST_SYSTEM
488 IMP_ISD_HAS_CGAL = _IMP_multifit.IMP_ISD_HAS_CGAL
490 IMP_ISD_HAS_HDF5 = _IMP_multifit.IMP_ISD_HAS_HDF5
492 IMP_ISD_HAS_NUMPY = _IMP_multifit.IMP_ISD_HAS_NUMPY
494 IMP_ISD_HAS_PYTHON_IHM = _IMP_multifit.IMP_ISD_HAS_PYTHON_IHM
496 IMPISD_SHOW_WARNINGS = _IMP_multifit.IMPISD_SHOW_WARNINGS
499 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
501 IMP_RMF_HAS_IMP_EM = _IMP_multifit.IMP_RMF_HAS_IMP_EM
503 IMP_RMF_HAS_IMP_SAXS = _IMP_multifit.IMP_RMF_HAS_IMP_SAXS
505 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
507 IMP_RMF_HAS_IMP_STATISTICS = _IMP_multifit.IMP_RMF_HAS_IMP_STATISTICS
509 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
511 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
513 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
515 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
517 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_SYSTEM
519 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
521 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
523 IMP_RMF_HAS_NUMPY = _IMP_multifit.IMP_RMF_HAS_NUMPY
525 IMP_RMF_HAS_PYTHON_IHM = _IMP_multifit.IMP_RMF_HAS_PYTHON_IHM
527 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
531 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
533 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
535 IMP_DOMINO_HAS_IMP_EM = _IMP_multifit.IMP_DOMINO_HAS_IMP_EM
537 IMP_DOMINO_HAS_IMP_ISD = _IMP_multifit.IMP_DOMINO_HAS_IMP_ISD
539 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
541 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
543 IMP_DOMINO_HAS_IMP_SAXS = _IMP_multifit.IMP_DOMINO_HAS_IMP_SAXS
545 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
547 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
549 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
551 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
553 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
555 IMP_DOMINO_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_SYSTEM
557 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
559 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
561 IMP_DOMINO_HAS_NUMPY = _IMP_multifit.IMP_DOMINO_HAS_NUMPY
563 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
565 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_multifit.IMP_DOMINO_HAS_PYTHON_IHM
567 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
571 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
573 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
575 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
577 IMP_MULTIFIT_HAS_IMP_ISD = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_ISD
579 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
581 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
583 IMP_MULTIFIT_HAS_IMP_SAXS = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SAXS
585 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
587 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
589 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
591 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
593 IMP_MULTIFIT_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_SYSTEM
595 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
597 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
599 IMP_MULTIFIT_HAS_NUMPY = _IMP_multifit.IMP_MULTIFIT_HAS_NUMPY
601 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
603 IMP_MULTIFIT_HAS_PYTHON_IHM = _IMP_multifit.IMP_MULTIFIT_HAS_PYTHON_IHM
605 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
608 _object_types.append(
"RadiusOfGyrationRestraint")
611 def _object_cast_to_RadiusOfGyrationRestraint(o):
612 r"""_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
613 return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(o)
615 _object_types.append(
"ComponentHeader")
618 def _object_cast_to_ComponentHeader(o):
619 r"""_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
620 return _IMP_multifit._object_cast_to_ComponentHeader(o)
622 _object_types.append(
"AssemblyHeader")
625 def _object_cast_to_AssemblyHeader(o):
626 r"""_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
627 return _IMP_multifit._object_cast_to_AssemblyHeader(o)
629 _object_types.append(
"SettingsData")
632 def _object_cast_to_SettingsData(o):
633 r"""_object_cast_to_SettingsData(Object o) -> SettingsData"""
634 return _IMP_multifit._object_cast_to_SettingsData(o)
636 _object_types.append(
"WeightedExcludedVolumeRestraint")
639 def _object_cast_to_WeightedExcludedVolumeRestraint(o):
640 r"""_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
641 return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(o)
643 _object_types.append(
"ComplementarityRestraint")
646 def _object_cast_to_ComplementarityRestraint(o):
647 r"""_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
648 return _IMP_multifit._object_cast_to_ComplementarityRestraint(o)
650 ProteinRecordDataList=list
651 _plural_types.append(
"ProteinRecordDataList")
652 _value_types.append(
"ProteinRecordData")
655 FittingSolutionRecords=list
656 _plural_types.append(
"FittingSolutionRecords")
657 _value_types.append(
"FittingSolutionRecord")
661 _plural_types.append(
"AnchorsDataList")
662 _value_types.append(
"AnchorsData")
665 DominoParamsList=list
666 _plural_types.append(
"DominoParamsList")
667 _value_types.append(
"DominoParams")
670 ComplementarityParamsList=list
671 _plural_types.append(
"ComplementarityParamsList")
672 _value_types.append(
"ComplementarityParams")
676 _plural_types.append(
"XlinkParamsList")
677 _value_types.append(
"XlinkParams")
680 ConnectivityParamsList=list
681 _plural_types.append(
"ConnectivityParamsList")
682 _value_types.append(
"ConnectivityParams")
685 FragmentsParamsList=list
686 _plural_types.append(
"FragmentsParamsList")
687 _value_types.append(
"FragmentsParams")
691 _plural_types.append(
"RogParamsList")
692 _value_types.append(
"RogParams")
696 _plural_types.append(
"EVParamsList")
697 _value_types.append(
"EVParams")
700 FiltersParamsList=list
701 _plural_types.append(
"FiltersParamsList")
702 _value_types.append(
"FiltersParams")
705 AlignmentParamsList=list
706 _plural_types.append(
"AlignmentParamsList")
707 _value_types.append(
"AlignmentParams")
710 FittingParamsList=list
711 _plural_types.append(
"FittingParamsList")
712 _value_types.append(
"FittingParams")
715 ProteinsAnchorsSamplingSpaces=list
716 _plural_types.append(
"ProteinsAnchorsSamplingSpaces")
717 _value_types.append(
"ProteinsAnchorsSamplingSpace")
720 _object_types.append(
"ProteomicsData")
723 def _object_cast_to_ProteomicsData(o):
724 r"""_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
725 return _IMP_multifit._object_cast_to_ProteomicsData(o)
727 _object_types.append(
"FFTFitting")
730 def _object_cast_to_FFTFitting(o):
731 r"""_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
732 return _IMP_multifit._object_cast_to_FFTFitting(o)
734 _object_types.append(
"FFTFittingOutput")
737 def _object_cast_to_FFTFittingOutput(o):
738 r"""_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
739 return _IMP_multifit._object_cast_to_FFTFittingOutput(o)
741 _object_types.append(
"ProbabilisticAnchorGraph")
744 def _object_cast_to_ProbabilisticAnchorGraph(o):
745 r"""_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
746 return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(o)
748 _object_types.append(
"Ensemble")
751 def _object_cast_to_Ensemble(o):
752 r"""_object_cast_to_Ensemble(Object o) -> Ensemble"""
753 return _IMP_multifit._object_cast_to_Ensemble(o)
755 _object_types.append(
"ProteomicsEMAlignmentAtomic")
758 def _object_cast_to_ProteomicsEMAlignmentAtomic(o):
759 r"""_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
760 return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(o)
762 _object_types.append(
"RigidLeavesRefiner")
765 def _object_cast_to_RigidLeavesRefiner(o):
766 r"""_object_cast_to_RigidLeavesRefiner(Object o) -> RigidLeavesRefiner"""
767 return _IMP_multifit._object_cast_to_RigidLeavesRefiner(o)
770 r"""add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=IMP::FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key(), FloatKey weight_key=IMP::atom::Mass::get_mass_key())"""
771 return _IMP_multifit.add_surface_index(*args)
774 r"""create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=IMP::FloatKey("surf_ind")) -> Restraint"""
775 return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
776 class FittingSolutionRecord(object):
777 r"""Proxy of C++ IMP::multifit::FittingSolutionRecord class."""
779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
782 r"""__init__(FittingSolutionRecord self) -> FittingSolutionRecord"""
783 _IMP_multifit.FittingSolutionRecord_swiginit(self, _IMP_multifit.new_FittingSolutionRecord())
786 r"""get_index(FittingSolutionRecord self) -> unsigned int"""
787 return _IMP_multifit.FittingSolutionRecord_get_index(self)
789 def set_index(self, new_ind):
790 r"""set_index(FittingSolutionRecord self, unsigned int new_ind)"""
791 return _IMP_multifit.FittingSolutionRecord_set_index(self, new_ind)
793 def get_solution_filename(self):
794 r"""get_solution_filename(FittingSolutionRecord self) -> std::string"""
795 return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
797 def set_solution_filename(self, sol_fn):
798 r"""set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
799 return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, sol_fn)
801 def get_fit_transformation(self):
802 r"""get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
803 return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
805 def set_fit_transformation(self, t):
806 r"""set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
807 return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, t)
809 def get_match_size(self):
810 r"""get_match_size(FittingSolutionRecord self) -> unsigned int"""
811 return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
813 def set_match_size(self, match_size):
814 r"""set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
815 return _IMP_multifit.FittingSolutionRecord_set_match_size(self, match_size)
817 def get_match_average_distance(self):
818 r"""get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
819 return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
821 def set_match_average_distance(self, match_avg_dist):
822 r"""set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
823 return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, match_avg_dist)
825 def get_fitting_score(self):
826 r"""get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
827 return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
829 def set_fitting_score(self, fit_score):
830 r"""set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
831 return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, fit_score)
833 def get_rmsd_to_reference(self):
834 r"""get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
835 return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
837 def set_rmsd_to_reference(self, rmsd_to_ref):
838 r"""set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
839 return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, rmsd_to_ref)
841 def get_dock_transformation(self):
842 r"""get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
843 return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
845 def set_dock_transformation(self, t):
846 r"""set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
847 return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, t)
849 def get_envelope_penetration_score(self):
850 r"""get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
851 return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
853 def set_envelope_penetration_score(self, s):
854 r"""set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
855 return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, s)
857 def show(self, *args):
858 r"""show(FittingSolutionRecord self, _ostream out=std::cout)"""
859 return _IMP_multifit.FittingSolutionRecord_show(self, *args)
862 def get_record_header():
863 r"""get_record_header() -> std::string"""
864 return _IMP_multifit.FittingSolutionRecord_get_record_header()
867 r"""__str__(FittingSolutionRecord self) -> std::string"""
868 return _IMP_multifit.FittingSolutionRecord___str__(self)
871 r"""__repr__(FittingSolutionRecord self) -> std::string"""
872 return _IMP_multifit.FittingSolutionRecord___repr__(self)
874 def _get_as_binary(self):
875 r"""_get_as_binary(FittingSolutionRecord self) -> PyObject *"""
876 return _IMP_multifit.FittingSolutionRecord__get_as_binary(self)
878 def _set_from_binary(self, p):
879 r"""_set_from_binary(FittingSolutionRecord self, PyObject * p)"""
880 return _IMP_multifit.FittingSolutionRecord__set_from_binary(self, p)
882 def __getstate__(self):
883 p = self._get_as_binary()
884 if len(self.__dict__) > 1:
885 d = self.__dict__.copy()
890 def __setstate__(self, p):
891 if not hasattr(self,
'this'):
893 if isinstance(p, tuple):
895 self.__dict__.update(d)
896 return self._set_from_binary(p)
898 __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
901 _IMP_multifit.FittingSolutionRecord_swigregister(FittingSolutionRecord)
905 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
906 pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
908 return _IMP_multifit.pca_based_rigid_fitting(*args)
910 def write_markers(pca, out):
911 r"""write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
912 return _IMP_multifit.write_markers(pca, out)
914 r"""Proxy of C++ IMP::multifit::ComponentHeader class."""
916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
919 r"""__init__(ComponentHeader self) -> ComponentHeader"""
920 _IMP_multifit.ComponentHeader_swiginit(self, _IMP_multifit.new_ComponentHeader())
922 def set_name(self, name):
923 r"""set_name(ComponentHeader self, std::string const & name)"""
924 return _IMP_multifit.ComponentHeader_set_name(self, name)
927 r"""get_name(ComponentHeader self) -> std::string"""
928 return _IMP_multifit.ComponentHeader_get_name(self)
930 def get_filename(self):
931 r"""get_filename(ComponentHeader self) -> std::string"""
932 return _IMP_multifit.ComponentHeader_get_filename(self)
934 def set_filename(self, filename):
935 r"""set_filename(ComponentHeader self, std::string const & filename)"""
936 return _IMP_multifit.ComponentHeader_set_filename(self, filename)
938 def get_surface_fn(self):
939 r"""get_surface_fn(ComponentHeader self) -> std::string"""
940 return _IMP_multifit.ComponentHeader_get_surface_fn(self)
942 def set_surface_fn(self, fn):
943 r"""set_surface_fn(ComponentHeader self, std::string const & fn)"""
944 return _IMP_multifit.ComponentHeader_set_surface_fn(self, fn)
946 def set_txt_ap_fn(self, pdb_ap_fn):
947 r"""set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
948 return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, pdb_ap_fn)
950 def get_txt_ap_fn(self):
951 r"""get_txt_ap_fn(ComponentHeader self) -> std::string"""
952 return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
954 def set_txt_fine_ap_fn(self, pdb_ap_fn):
955 r"""set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
956 return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, pdb_ap_fn)
958 def get_txt_fine_ap_fn(self):
959 r"""get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
960 return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
962 def set_num_ap(self, num_ap):
963 r"""set_num_ap(ComponentHeader self, int num_ap)"""
964 return _IMP_multifit.ComponentHeader_set_num_ap(self, num_ap)
966 def get_num_ap(self):
967 r"""get_num_ap(ComponentHeader self) -> int"""
968 return _IMP_multifit.ComponentHeader_get_num_ap(self)
970 def set_num_fine_ap(self, num_ap):
971 r"""set_num_fine_ap(ComponentHeader self, int num_ap)"""
972 return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, num_ap)
974 def get_num_fine_ap(self):
975 r"""get_num_fine_ap(ComponentHeader self) -> int"""
976 return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
978 def set_transformations_fn(self, transformations_fn):
979 r"""set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
980 return _IMP_multifit.ComponentHeader_set_transformations_fn(self, transformations_fn)
982 def get_transformations_fn(self):
983 r"""get_transformations_fn(ComponentHeader self) -> std::string"""
984 return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
986 def set_reference_fn(self, ref_fn):
987 r"""set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
988 return _IMP_multifit.ComponentHeader_set_reference_fn(self, ref_fn)
990 def get_reference_fn(self):
991 r"""get_reference_fn(ComponentHeader self) -> std::string"""
992 return _IMP_multifit.ComponentHeader_get_reference_fn(self)
994 def get_version_info(self):
995 r"""get_version_info(ComponentHeader self) -> VersionInfo"""
996 return _IMP_multifit.ComponentHeader_get_version_info(self)
997 __swig_destroy__ = _IMP_multifit.delete_ComponentHeader
1000 r"""__str__(ComponentHeader self) -> std::string"""
1001 return _IMP_multifit.ComponentHeader___str__(self)
1004 r"""__repr__(ComponentHeader self) -> std::string"""
1005 return _IMP_multifit.ComponentHeader___repr__(self)
1009 return _object_cast_to_ComponentHeader(o)
1013 _IMP_multifit.ComponentHeader_swigregister(ComponentHeader)
1015 r"""Proxy of C++ IMP::multifit::AssemblyHeader class."""
1017 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1020 r"""__init__(AssemblyHeader self) -> AssemblyHeader"""
1021 _IMP_multifit.AssemblyHeader_swiginit(self, _IMP_multifit.new_AssemblyHeader())
1023 def set_dens_fn(self, dens_fn):
1024 r"""set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
1025 return _IMP_multifit.AssemblyHeader_set_dens_fn(self, dens_fn)
1027 def get_dens_fn(self):
1028 r"""get_dens_fn(AssemblyHeader self) -> std::string"""
1029 return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
1031 def set_resolution(self, res):
1032 r"""set_resolution(AssemblyHeader self, float res)"""
1033 return _IMP_multifit.AssemblyHeader_set_resolution(self, res)
1036 r"""get_resolution(AssemblyHeader self) -> float"""
1037 return _IMP_multifit.AssemblyHeader_get_resolution(self)
1039 def get_spacing(self):
1040 r"""get_spacing(AssemblyHeader self) -> float"""
1041 return _IMP_multifit.AssemblyHeader_get_spacing(self)
1043 def set_spacing(self, spacing):
1044 r"""set_spacing(AssemblyHeader self, float spacing)"""
1045 return _IMP_multifit.AssemblyHeader_set_spacing(self, spacing)
1047 def set_threshold(self, t):
1048 r"""set_threshold(AssemblyHeader self, float t)"""
1049 return _IMP_multifit.AssemblyHeader_set_threshold(self, t)
1051 def get_threshold(self):
1052 r"""get_threshold(AssemblyHeader self) -> float"""
1053 return _IMP_multifit.AssemblyHeader_get_threshold(self)
1055 def get_origin(self):
1056 r"""get_origin(AssemblyHeader self) -> Vector3D"""
1057 return _IMP_multifit.AssemblyHeader_get_origin(self)
1059 def set_origin(self, origin):
1060 r"""set_origin(AssemblyHeader self, Vector3D origin)"""
1061 return _IMP_multifit.AssemblyHeader_set_origin(self, origin)
1063 def get_coarse_ap_fn(self):
1064 r"""get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
1065 return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
1067 def set_coarse_ap_fn(self, new_fn):
1068 r"""set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1069 return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, new_fn)
1071 def get_coarse_over_sampled_ap_fn(self):
1072 r"""get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1073 return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
1075 def set_coarse_over_sampled_ap_fn(self, new_fn):
1076 r"""set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1077 return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, new_fn)
1079 def get_fine_ap_fn(self):
1080 r"""get_fine_ap_fn(AssemblyHeader self) -> std::string"""
1081 return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
1083 def set_fine_ap_fn(self, new_fn):
1084 r"""set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1085 return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, new_fn)
1087 def get_fine_over_sampled_ap_fn(self):
1088 r"""get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1089 return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
1091 def set_fine_over_sampled_ap_fn(self, new_fn):
1092 r"""set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1093 return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, new_fn)
1095 def get_version_info(self):
1096 r"""get_version_info(AssemblyHeader self) -> VersionInfo"""
1097 return _IMP_multifit.AssemblyHeader_get_version_info(self)
1098 __swig_destroy__ = _IMP_multifit.delete_AssemblyHeader
1101 r"""__str__(AssemblyHeader self) -> std::string"""
1102 return _IMP_multifit.AssemblyHeader___str__(self)
1105 r"""__repr__(AssemblyHeader self) -> std::string"""
1106 return _IMP_multifit.AssemblyHeader___repr__(self)
1110 return _object_cast_to_AssemblyHeader(o)
1114 _IMP_multifit.AssemblyHeader_swigregister(AssemblyHeader)
1116 r"""Proxy of C++ IMP::multifit::SettingsData class."""
1118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1121 r"""__init__(SettingsData self) -> SettingsData"""
1122 _IMP_multifit.SettingsData_swiginit(self, _IMP_multifit.new_SettingsData())
1125 def show_component_header_line(*args):
1126 r"""show_component_header_line(_ostream out=std::cout)"""
1127 return _IMP_multifit.SettingsData_show_component_header_line(*args)
1130 def get_component_header_line():
1131 r"""get_component_header_line() -> std::string"""
1132 return _IMP_multifit.SettingsData_get_component_header_line()
1135 def show_density_header_line(*args):
1136 r"""show_density_header_line(_ostream out=std::cout)"""
1137 return _IMP_multifit.SettingsData_show_density_header_line(*args)
1140 def get_density_header_line():
1141 r"""get_density_header_line() -> std::string"""
1142 return _IMP_multifit.SettingsData_get_density_header_line()
1144 def set_assembly_filename(self, fn):
1145 r"""set_assembly_filename(SettingsData self, std::string const & fn)"""
1146 return _IMP_multifit.SettingsData_set_assembly_filename(self, fn)
1148 def get_assembly_filename(self):
1149 r"""get_assembly_filename(SettingsData self) -> char const *"""
1150 return _IMP_multifit.SettingsData_get_assembly_filename(self)
1152 def set_assembly_header(self, h):
1153 r"""set_assembly_header(SettingsData self, AssemblyHeader h)"""
1154 return _IMP_multifit.SettingsData_set_assembly_header(self, h)
1156 def get_assembly_header(self):
1157 r"""get_assembly_header(SettingsData self) -> AssemblyHeader"""
1158 return _IMP_multifit.SettingsData_get_assembly_header(self)
1160 def set_data_path(self, fn):
1161 r"""set_data_path(SettingsData self, std::string const & fn)"""
1162 return _IMP_multifit.SettingsData_set_data_path(self, fn)
1165 r"""get_data_path(SettingsData self) -> std::string"""
1166 return _IMP_multifit.SettingsData_get_data_path(self)
1168 def get_version_info(self):
1169 r"""get_version_info(SettingsData self) -> VersionInfo"""
1170 return _IMP_multifit.SettingsData_get_version_info(self)
1171 __swig_destroy__ = _IMP_multifit.delete_SettingsData
1172 def __get_component_headers(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_component_headers, getfunc=self.get_component_header, erasefunc=self.erase_component_header, appendfunc=self.add_component_header, extendfunc=self.add_component_headers, clearfunc=self.clear_component_headers, indexfunc=self._python_index_component_header)
1173 def __set_component_headers(self, obj): IMP._list_util.set_varlist(self.component_headers, obj)
1174 def __del_component_headers(self): IMP._list_util.del_varlist(self.component_headers)
1175 component_headers = property(__get_component_headers, __set_component_headers, __del_component_headers, doc=
"List of ##ucnames")
1177 def remove_component_header(self, d):
1178 r"""remove_component_header(SettingsData self, ComponentHeader d)"""
1179 return _IMP_multifit.SettingsData_remove_component_header(self, d)
1181 def _python_index_component_header(self, d, start, stop):
1182 r"""_python_index_component_header(SettingsData self, ComponentHeader d, unsigned int start, unsigned int stop) -> unsigned int"""
1183 return _IMP_multifit.SettingsData__python_index_component_header(self, d, start, stop)
1185 def remove_component_headers(self, d):
1186 r"""remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
1187 return _IMP_multifit.SettingsData_remove_component_headers(self, d)
1189 def set_component_headers(self, ps):
1190 r"""set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
1191 return _IMP_multifit.SettingsData_set_component_headers(self, ps)
1193 def set_component_headers_order(self, objs):
1194 r"""set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1195 return _IMP_multifit.SettingsData_set_component_headers_order(self, objs)
1197 def add_component_header(self, obj):
1198 r"""add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
1199 return _IMP_multifit.SettingsData_add_component_header(self, obj)
1201 def add_component_headers(self, objs):
1202 r"""add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1203 return _IMP_multifit.SettingsData_add_component_headers(self, objs)
1205 def clear_component_headers(self):
1206 r"""clear_component_headers(SettingsData self)"""
1207 return _IMP_multifit.SettingsData_clear_component_headers(self)
1209 def get_number_of_component_headers(self):
1210 r"""get_number_of_component_headers(SettingsData self) -> unsigned int"""
1211 return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
1213 def get_has_component_headers(self):
1214 r"""get_has_component_headers(SettingsData self) -> bool"""
1215 return _IMP_multifit.SettingsData_get_has_component_headers(self)
1217 def get_component_header(self, i):
1218 r"""get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
1219 return _IMP_multifit.SettingsData_get_component_header(self, i)
1221 def get_component_headers(self):
1222 r"""get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
1223 return _IMP_multifit.SettingsData_get_component_headers(self)
1225 def erase_component_header(self, i):
1226 r"""erase_component_header(SettingsData self, unsigned int i)"""
1227 return _IMP_multifit.SettingsData_erase_component_header(self, i)
1229 def reserve_component_headers(self, sz):
1230 r"""reserve_component_headers(SettingsData self, unsigned int sz)"""
1231 return _IMP_multifit.SettingsData_reserve_component_headers(self, sz)
1234 r"""__str__(SettingsData self) -> std::string"""
1235 return _IMP_multifit.SettingsData___str__(self)
1238 r"""__repr__(SettingsData self) -> std::string"""
1239 return _IMP_multifit.SettingsData___repr__(self)
1243 return _object_cast_to_SettingsData(o)
1247 _IMP_multifit.SettingsData_swigregister(SettingsData)
1249 def read_settings(filename):
1250 r"""read_settings(char const * filename) -> SettingsData"""
1251 return _IMP_multifit.read_settings(filename)
1253 def write_settings(filename, sd):
1254 r"""write_settings(char const * filename, SettingsData sd)"""
1255 return _IMP_multifit.write_settings(filename, sd)
1257 r"""Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class."""
1259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1261 def __init__(self, *args):
1262 r"""__init__(WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint"""
1263 _IMP_multifit.WeightedExcludedVolumeRestraint_swiginit(self, _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args))
1265 def do_get_inputs(self):
1266 r"""do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
1267 return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1269 def get_version_info(self):
1270 r"""get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1271 return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1272 __swig_destroy__ = _IMP_multifit.delete_WeightedExcludedVolumeRestraint
1275 r"""__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1276 return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1279 r"""__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1280 return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1284 return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1288 _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1290 r"""Proxy of C++ IMP::multifit::FFTFittingOutput class."""
1292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1295 r"""__init__(FFTFittingOutput self) -> FFTFittingOutput"""
1296 _IMP_multifit.FFTFittingOutput_swiginit(self, _IMP_multifit.new_FFTFittingOutput())
1298 def get_version_info(self):
1299 r"""get_version_info(FFTFittingOutput self) -> VersionInfo"""
1300 return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1301 __swig_destroy__ = _IMP_multifit.delete_FFTFittingOutput
1302 best_fits_ = property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set, doc=
r"""best_fits_ : IMP::multifit::FittingSolutionRecords""")
1303 best_trans_per_rot_ = property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set, doc=
r"""best_trans_per_rot_ : IMP::multifit::FittingSolutionRecords""")
1306 r"""__str__(FFTFittingOutput self) -> std::string"""
1307 return _IMP_multifit.FFTFittingOutput___str__(self)
1310 r"""__repr__(FFTFittingOutput self) -> std::string"""
1311 return _IMP_multifit.FFTFittingOutput___repr__(self)
1315 return _object_cast_to_FFTFittingOutput(o)
1319 _IMP_multifit.FFTFittingOutput_swigregister(FFTFittingOutput)
1321 r"""Proxy of C++ IMP::multifit::FFTFitting class."""
1323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1325 def get_version_info(self):
1326 r"""get_version_info(FFTFitting self) -> VersionInfo"""
1327 return _IMP_multifit.FFTFitting_get_version_info(self)
1328 __swig_destroy__ = _IMP_multifit.delete_FFTFitting
1331 r"""__init__(FFTFitting self) -> FFTFitting"""
1332 _IMP_multifit.FFTFitting_swiginit(self, _IMP_multifit.new_FFTFitting())
1334 def do_global_fitting(self, *args):
1335 r"""do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1, std::string const & angles_filename="") -> FFTFittingOutput"""
1336 return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1338 def do_local_fitting(self, *args):
1339 r"""do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, double max_angle_sampling_rad, double max_translation, int num_fits_to_report, bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation, double max_clustering_rotation, std::string const & angles_filename="") -> FFTFittingOutput"""
1340 return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1343 r"""__str__(FFTFitting self) -> std::string"""
1344 return _IMP_multifit.FFTFitting___str__(self)
1347 r"""__repr__(FFTFitting self) -> std::string"""
1348 return _IMP_multifit.FFTFitting___repr__(self)
1352 return _object_cast_to_FFTFitting(o)
1356 _IMP_multifit.FFTFitting_swigregister(FFTFitting)
1359 r"""fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1360 return _IMP_multifit.fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad)
1363 r"""remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1364 return _IMP_multifit.remove_background(dmap, threshold, edge_threshold)
1367 r"""get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1368 return _IMP_multifit.get_connected_components(dmap, threshold, edge_threshold)
1370 def get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename):
1371 r"""get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename, std::string const cmm_filename, std::string const seg_filename, std::string const txt_filename)"""
1372 return _IMP_multifit.get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename)
1374 r"""Proxy of C++ IMP::multifit::ComplementarityRestraint class."""
1376 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1378 def __init__(self, *args):
1379 r"""__init__(ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint"""
1380 _IMP_multifit.ComplementarityRestraint_swiginit(self, _IMP_multifit.new_ComplementarityRestraint(*args))
1382 def set_maximum_penetration_score(self, s):
1383 r"""set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1384 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, s)
1386 def set_maximum_penetration(self, d):
1387 r"""set_maximum_penetration(ComplementarityRestraint self, double d)"""
1388 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, d)
1390 def set_maximum_separation(self, s):
1391 r"""set_maximum_separation(ComplementarityRestraint self, double s)"""
1392 return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, s)
1394 def set_complementarity_thickness(self, th):
1395 r"""set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1396 return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, th)
1398 def set_complementarity_value(self, th):
1399 r"""set_complementarity_value(ComplementarityRestraint self, double th)"""
1400 return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, th)
1402 def set_interior_layer_thickness(self, th):
1403 r"""set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1404 return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, th)
1406 def set_penetration_coefficient(self, pc):
1407 r"""set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1408 return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, pc)
1410 def set_complementarity_coefficient(self, cc):
1411 r"""set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1412 return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, cc)
1414 def set_boundary_coefficient(self, bc):
1415 r"""set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1416 return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, bc)
1418 def get_voxel_size(self):
1419 r"""get_voxel_size(ComplementarityRestraint self) -> float"""
1420 return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1422 def do_get_inputs(self):
1423 r"""do_get_inputs(ComplementarityRestraint self) -> IMP::ModelObjectsTemp"""
1424 return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1426 def get_version_info(self):
1427 r"""get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1428 return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1429 __swig_destroy__ = _IMP_multifit.delete_ComplementarityRestraint
1432 r"""__str__(ComplementarityRestraint self) -> std::string"""
1433 return _IMP_multifit.ComplementarityRestraint___str__(self)
1436 r"""__repr__(ComplementarityRestraint self) -> std::string"""
1437 return _IMP_multifit.ComplementarityRestraint___repr__(self)
1441 return _object_cast_to_ComplementarityRestraint(o)
1445 _IMP_multifit.ComplementarityRestraint_swigregister(ComplementarityRestraint)
1448 r"""read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1449 return _IMP_multifit.read_fitting_solutions(fitting_fn)
1452 r"""write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols, int num_sols=-1)"""
1453 return _IMP_multifit.write_fitting_solutions(fitting_fn, fit_sols, num_sols)
1455 def convert_em_to_multifit_format(em_fits):
1456 r"""convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1457 return _IMP_multifit.convert_em_to_multifit_format(em_fits)
1459 def convert_multifit_to_em_format(multifit_fits):
1460 r"""convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1461 return _IMP_multifit.convert_multifit_to_em_format(multifit_fits)
1463 def convert_transformations_to_multifit_format(trans):
1464 r"""convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1465 return _IMP_multifit.convert_transformations_to_multifit_format(trans)
1467 def convert_multifit_format_to_transformations(recs):
1468 r"""convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1469 return _IMP_multifit.convert_multifit_format_to_transformations(recs)
1472 r"""get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap, IMP::Float dist) -> IMP::multifit::FittingSolutionRecords"""
1473 return _IMP_multifit.get_close_to_point(fit_sols, mh, ap, dist)
1475 r"""Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class."""
1477 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1479 def __init__(self, anchor_positions):
1480 r"""__init__(ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1481 _IMP_multifit.ProbabilisticAnchorGraph_swiginit(self, _IMP_multifit.new_ProbabilisticAnchorGraph(anchor_positions))
1483 def add_edge(self, i, j):
1484 r"""add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1485 return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, i, j)
1487 def set_particle_probabilities_on_anchors(self, p, sols):
1488 r"""set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1489 return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, p, sols)
1491 def show(self, *args):
1492 r"""show(ProbabilisticAnchorGraph self, _ostream out=std::cout)"""
1493 return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1495 def get_number_of_anchors(self):
1496 r"""get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1497 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1499 def get_number_of_edges(self):
1500 r"""get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1501 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1503 def get_edge_list(self):
1504 r"""get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1505 return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1507 def get_anchors(self):
1508 r"""get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1509 return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1511 def get_particle_anchors(self, p, min_prob=0):
1512 r"""get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds"""
1513 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, p, min_prob)
1515 def get_are_probabilities_for_particle_set(self, p):
1516 r"""get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1517 return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, p)
1519 def get_particle_probabilities(self, p):
1520 r"""get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1521 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, p)
1523 def get_version_info(self):
1524 r"""get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1525 return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1526 __swig_destroy__ = _IMP_multifit.delete_ProbabilisticAnchorGraph
1529 r"""__str__(ProbabilisticAnchorGraph self) -> std::string"""
1530 return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1533 r"""__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1534 return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1538 return _object_cast_to_ProbabilisticAnchorGraph(o)
1542 _IMP_multifit.ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1543 class ProteinRecordData(object):
1544 r"""Proxy of C++ IMP::multifit::ProteinRecordData class."""
1546 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1548 def reset_all(self):
1549 r"""reset_all(ProteinRecordData self)"""
1550 return _IMP_multifit.ProteinRecordData_reset_all(self)
1552 def __init__(self, *args):
1554 __init__(ProteinRecordData self) -> ProteinRecordData
1555 __init__(ProteinRecordData self, std::string const & name) -> ProteinRecordData
1556 __init__(ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1557 __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1558 __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn, std::string const & ref_fn) -> ProteinRecordData
1560 _IMP_multifit.ProteinRecordData_swiginit(self, _IMP_multifit.new_ProteinRecordData(*args))
1562 def show(self, *args):
1563 r"""show(ProteinRecordData self, _ostream out=std::cout)"""
1564 return _IMP_multifit.ProteinRecordData_show(self, *args)
1565 name_ = property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set, doc=
r"""name_ : std::string""")
1566 start_res_ = property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set, doc=
r"""start_res_ : int""")
1567 end_res_ = property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set, doc=
r"""end_res_ : int""")
1568 filename_ = property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set, doc=
r"""filename_ : std::string""")
1569 surface_filename_ = property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set, doc=
r"""surface_filename_ : std::string""")
1570 ref_filename_ = property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set, doc=
r"""ref_filename_ : std::string""")
1573 r"""__str__(ProteinRecordData self) -> std::string"""
1574 return _IMP_multifit.ProteinRecordData___str__(self)
1577 r"""__repr__(ProteinRecordData self) -> std::string"""
1578 return _IMP_multifit.ProteinRecordData___repr__(self)
1580 def _get_as_binary(self):
1581 r"""_get_as_binary(ProteinRecordData self) -> PyObject *"""
1582 return _IMP_multifit.ProteinRecordData__get_as_binary(self)
1584 def _set_from_binary(self, p):
1585 r"""_set_from_binary(ProteinRecordData self, PyObject * p)"""
1586 return _IMP_multifit.ProteinRecordData__set_from_binary(self, p)
1588 def __getstate__(self):
1589 p = self._get_as_binary()
1590 if len(self.__dict__) > 1:
1591 d = self.__dict__.copy()
1596 def __setstate__(self, p):
1597 if not hasattr(self,
'this'):
1599 if isinstance(p, tuple):
1601 self.__dict__.update(d)
1602 return self._set_from_binary(p)
1604 __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1607 _IMP_multifit.ProteinRecordData_swigregister(ProteinRecordData)
1609 r"""Proxy of C++ IMP::multifit::ProteomicsData class."""
1611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1614 r"""__init__(ProteomicsData self) -> ProteomicsData"""
1615 _IMP_multifit.ProteomicsData_swiginit(self, _IMP_multifit.new_ProteomicsData())
1617 def add_protein(self, *args):
1619 add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn, std::string const & ref_fn) -> int
1620 add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1622 return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1624 def find(self, name):
1625 r"""find(ProteomicsData self, std::string const & name) -> int"""
1626 return _IMP_multifit.ProteomicsData_find(self, name)
1628 def add_interaction(self, ii, used_for_filter, linker_len):
1629 r"""add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1630 return _IMP_multifit.ProteomicsData_add_interaction(self, ii, used_for_filter, linker_len)
1632 def add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len):
1633 r"""add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter, IMP::Float linker_len)"""
1634 return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len)
1636 def add_ev_pair(self, prot1, prot2):
1637 r"""add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1638 return _IMP_multifit.ProteomicsData_add_ev_pair(self, prot1, prot2)
1640 def get_number_of_proteins(self):
1641 r"""get_number_of_proteins(ProteomicsData self) -> int"""
1642 return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1644 def get_number_of_interactions(self):
1645 r"""get_number_of_interactions(ProteomicsData self) -> int"""
1646 return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1648 def get_interaction(self, interaction_ind):
1649 r"""get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1650 return _IMP_multifit.ProteomicsData_get_interaction(self, interaction_ind)
1652 def get_interaction_part_of_filter(self, interaction_ind):
1653 r"""get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1654 return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, interaction_ind)
1656 def get_interaction_linker_length(self, interaction_ind):
1657 r"""get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1658 return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, interaction_ind)
1660 def get_number_of_cross_links(self):
1661 r"""get_number_of_cross_links(ProteomicsData self) -> int"""
1662 return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1664 def get_cross_link(self, xlink_ind):
1665 r"""get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1666 return _IMP_multifit.ProteomicsData_get_cross_link(self, xlink_ind)
1668 def get_cross_link_part_of_filter(self, xlink_ind):
1669 r"""get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1670 return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, xlink_ind)
1672 def get_cross_link_length(self, xlink_ind):
1673 r"""get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1674 return _IMP_multifit.ProteomicsData_get_cross_link_length(self, xlink_ind)
1676 def get_number_of_ev_pairs(self):
1677 r"""get_number_of_ev_pairs(ProteomicsData self) -> int"""
1678 return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1680 def get_ev_pair(self, ev_ind):
1681 r"""get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1682 return _IMP_multifit.ProteomicsData_get_ev_pair(self, ev_ind)
1684 def get_protein_name(self, protein_ind):
1685 r"""get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1686 return _IMP_multifit.ProteomicsData_get_protein_name(self, protein_ind)
1688 def get_end_res(self, protein_ind):
1689 r"""get_end_res(ProteomicsData self, int protein_ind) -> int"""
1690 return _IMP_multifit.ProteomicsData_get_end_res(self, protein_ind)
1692 def get_start_res(self, protein_ind):
1693 r"""get_start_res(ProteomicsData self, int protein_ind) -> int"""
1694 return _IMP_multifit.ProteomicsData_get_start_res(self, protein_ind)
1696 def get_protein_filename(self, protein_ind):
1697 r"""get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1698 return _IMP_multifit.ProteomicsData_get_protein_filename(self, protein_ind)
1700 def get_reference_filename(self, protein_ind):
1701 r"""get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1702 return _IMP_multifit.ProteomicsData_get_reference_filename(self, protein_ind)
1704 def get_surface_filename(self, protein_ind):
1705 r"""get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1706 return _IMP_multifit.ProteomicsData_get_surface_filename(self, protein_ind)
1708 def get_protein_data(self, protein_ind):
1709 r"""get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1710 return _IMP_multifit.ProteomicsData_get_protein_data(self, protein_ind)
1712 def get_version_info(self):
1713 r"""get_version_info(ProteomicsData self) -> VersionInfo"""
1714 return _IMP_multifit.ProteomicsData_get_version_info(self)
1715 __swig_destroy__ = _IMP_multifit.delete_ProteomicsData
1717 def get_num_allowed_violated_interactions(self):
1718 r"""get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1719 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1721 def set_num_allowed_violated_interactions(self, n):
1722 r"""set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1723 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, n)
1725 def get_num_allowed_violated_cross_links(self):
1726 r"""get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1727 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1729 def set_num_allowed_violated_cross_links(self, n):
1730 r"""set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1731 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, n)
1733 def get_num_allowed_violated_ev(self):
1734 r"""get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1735 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1737 def set_num_allowed_violated_ev(self, n):
1738 r"""set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1739 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, n)
1742 r"""__str__(ProteomicsData self) -> std::string"""
1743 return _IMP_multifit.ProteomicsData___str__(self)
1746 r"""__repr__(ProteomicsData self) -> std::string"""
1747 return _IMP_multifit.ProteomicsData___repr__(self)
1751 return _object_cast_to_ProteomicsData(o)
1755 _IMP_multifit.ProteomicsData_swigregister(ProteomicsData)
1758 r"""read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1759 return _IMP_multifit.read_proteomics_data(proteomics_fn)
1761 def get_partial_proteomics_data(pd, prot_names):
1762 r"""get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1763 return _IMP_multifit.get_partial_proteomics_data(pd, prot_names)
1764 class AnchorsData(object):
1765 r"""Proxy of C++ IMP::multifit::AnchorsData class."""
1767 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1769 def __init__(self, *args):
1771 __init__(AnchorsData self) -> AnchorsData
1772 __init__(AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1774 _IMP_multifit.AnchorsData_swiginit(self, _IMP_multifit.new_AnchorsData(*args))
1776 def remove_edges_for_node(self, node_ind):
1777 r"""remove_edges_for_node(AnchorsData self, int node_ind)"""
1778 return _IMP_multifit.AnchorsData_remove_edges_for_node(self, node_ind)
1780 def get_number_of_points(self):
1781 r"""get_number_of_points(AnchorsData self) -> int"""
1782 return _IMP_multifit.AnchorsData_get_number_of_points(self)
1784 def get_number_of_edges(self):
1785 r"""get_number_of_edges(AnchorsData self) -> int"""
1786 return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1788 def get_is_point_considered(self, node_ind):
1789 r"""get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1790 return _IMP_multifit.AnchorsData_get_is_point_considered(self, node_ind)
1792 def show(self, *args):
1793 r"""show(AnchorsData self, _ostream out=std::cout)"""
1794 return _IMP_multifit.AnchorsData_show(self, *args)
1796 def get_secondary_structure_is_set(self):
1797 r"""get_secondary_structure_is_set(AnchorsData self) -> bool"""
1798 return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1800 def setup_secondary_structure(self, mdl):
1801 r"""setup_secondary_structure(AnchorsData self, Model mdl)"""
1802 return _IMP_multifit.AnchorsData_setup_secondary_structure(self, mdl)
1804 def set_secondary_structure_probabilities(self, *args):
1805 r"""set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())"""
1806 return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1808 def get_secondary_structure_particles(self):
1809 r"""get_secondary_structure_particles(AnchorsData self) -> IMP::Particles"""
1810 return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1811 points_ = property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set, doc=
r"""points_ : IMP::algebra::Vector3Ds""")
1812 consider_point_ = property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set, doc=
r"""consider_point_ : std::vector<(bool,std::allocator<(bool)>)>""")
1813 edges_ = property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set, doc=
r"""edges_ : IMP::IntPairs""")
1816 r"""__str__(AnchorsData self) -> std::string"""
1817 return _IMP_multifit.AnchorsData___str__(self)
1820 r"""__repr__(AnchorsData self) -> std::string"""
1821 return _IMP_multifit.AnchorsData___repr__(self)
1822 __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1825 _IMP_multifit.AnchorsData_swigregister(AnchorsData)
1827 def read_anchors_data(txt_filename):
1828 r"""read_anchors_data(char const * txt_filename) -> AnchorsData"""
1829 return _IMP_multifit.read_anchors_data(txt_filename)
1831 def write_txt(txt_filename, ad):
1832 r"""write_txt(std::string const & txt_filename, AnchorsData ad)"""
1833 return _IMP_multifit.write_txt(txt_filename, ad)
1835 def write_cmm(cmm_filename, marker_set_name, dpa):
1836 r"""write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1837 return _IMP_multifit.write_cmm(cmm_filename, marker_set_name, dpa)
1840 r"""create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1841 return _IMP_multifit.create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius)
1843 def create_hit_map(rb, rb_ref, sols, damp):
1844 r"""create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols, DensityMap damp) -> DensityMap"""
1845 return _IMP_multifit.create_hit_map(rb, rb_ref, sols, damp)
1848 r"""get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1849 return _IMP_multifit.get_points_close_to_molecule(mh, points, max_dist)
1851 def get_points_far_from_molecule(mh, points, max_dist):
1852 r"""get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1853 return _IMP_multifit.get_points_far_from_molecule(mh, points, max_dist)
1855 r"""Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class."""
1857 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1859 def __init__(self, ps, num_residues, scale=1.):
1860 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint"""
1861 _IMP_multifit.RadiusOfGyrationRestraint_swiginit(self, _IMP_multifit.new_RadiusOfGyrationRestraint(ps, num_residues, scale))
1863 def do_get_inputs(self):
1864 r"""do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::ModelObjectsTemp"""
1865 return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1867 def get_version_info(self):
1868 r"""get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1869 return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1870 __swig_destroy__ = _IMP_multifit.delete_RadiusOfGyrationRestraint
1872 def set_radius_of_gyration(self, r):
1873 r"""set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1874 return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, r)
1877 r"""get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1878 return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1881 r"""__str__(RadiusOfGyrationRestraint self) -> std::string"""
1882 return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1885 r"""__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1886 return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1890 return _object_cast_to_RadiusOfGyrationRestraint(o)
1894 _IMP_multifit.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1896 def get_approximated_radius_of_gyration(len):
1897 r"""get_approximated_radius_of_gyration(int len) -> float"""
1898 return _IMP_multifit.get_approximated_radius_of_gyration(len)
1900 def get_actual_radius_of_gyration(ps):
1901 r"""get_actual_radius_of_gyration(IMP::ParticlesTemp ps) -> float"""
1902 return _IMP_multifit.get_actual_radius_of_gyration(ps)
1904 def get_approximated_radius(len):
1905 r"""get_approximated_radius(int len) -> float"""
1906 return _IMP_multifit.get_approximated_radius(len)
1907 class ProteinsAnchorsSamplingSpace(object):
1908 r"""Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class."""
1910 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1912 def __init__(self, prots=None):
1913 r"""__init__(ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace"""
1914 _IMP_multifit.ProteinsAnchorsSamplingSpace_swiginit(self, _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots))
1916 def set_anchors(self, data):
1917 r"""set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1918 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, data)
1920 def get_anchors(self):
1921 r"""get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1922 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1924 def get_anchors_filename(self):
1925 r"""get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1926 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1928 def set_anchors_filename(self, fn):
1929 r"""set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1930 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, fn)
1932 def get_proteomics_data(self):
1933 r"""get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1934 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1936 def add_protein(self, rec):
1937 r"""add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1938 return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, rec)
1940 def get_paths_for_protein(self, prot_name):
1941 r"""get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1942 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, prot_name)
1944 def set_paths_filename_for_protein(self, prot_name, paths_filename):
1945 r"""set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1946 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, prot_name, paths_filename)
1948 def get_paths_filename_for_protein(self, prot_name):
1949 r"""get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1950 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, prot_name)
1952 def set_paths_for_protein(self, prot_name, paths):
1953 r"""set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1954 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, prot_name, paths)
1956 def show(self, *args):
1957 r"""show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)"""
1958 return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1961 r"""__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1962 return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1965 r"""__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1966 return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1967 __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1970 _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1972 def read_protein_anchors_mapping(*args):
1973 r"""read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace"""
1974 return _IMP_multifit.read_protein_anchors_mapping(*args)
1976 def write_protein_anchors_mapping(*args):
1978 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, std::string const & anchors_fn, std::vector< std::pair< IMP::String,IMP::String >,std::allocator< std::pair< IMP::String,IMP::String > > > const & prot_paths)
1979 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1981 return _IMP_multifit.write_protein_anchors_mapping(*args)
1984 r"""get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1985 return _IMP_multifit.get_part_of_sampling_space(prots_ss, prot_names)
1988 r"""get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1989 return _IMP_multifit.get_partial_assembly_setting_data(prots_sd, prot_names)
1992 r"""read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList"""
1993 return _IMP_multifit.read_paths(*args)
1995 def write_paths(paths, txt_filename):
1996 r"""write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1997 return _IMP_multifit.write_paths(paths, txt_filename)
1999 def molecule2anchors(mh, k):
2000 r"""molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
2001 return _IMP_multifit.molecule2anchors(mh, k)
2003 def get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename):
2004 r"""get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)"""
2005 return _IMP_multifit.get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename)
2008 r"""get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList"""
2009 return _IMP_multifit.get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd)
2010 class DominoParams(object):
2011 r"""Proxy of C++ IMP::multifit::DominoParams class."""
2013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2016 r"""__init__(DominoParams self) -> DominoParams"""
2017 _IMP_multifit.DominoParams_swiginit(self, _IMP_multifit.new_DominoParams())
2020 r"""add(DominoParams self, boost::property_tree::ptree const & pt)"""
2021 return _IMP_multifit.DominoParams_add(self, pt)
2023 def show(self, *args):
2024 r"""show(DominoParams self, _ostream s=std::cout)"""
2025 return _IMP_multifit.DominoParams_show(self, *args)
2026 max_value_threshold_ = property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set, doc=
r"""max_value_threshold_ : float""")
2027 max_num_states_for_subset_ = property(_IMP_multifit.DominoParams_max_num_states_for_subset__get, _IMP_multifit.DominoParams_max_num_states_for_subset__set, doc=
r"""max_num_states_for_subset_ : int""")
2028 max_anchor_penetration_ = property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set, doc=
r"""max_anchor_penetration_ : float""")
2029 heap_size_ = property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set, doc=
r"""heap_size_ : int""")
2030 cache_size_ = property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set, doc=
r"""cache_size_ : int""")
2033 r"""__str__(DominoParams self) -> std::string"""
2034 return _IMP_multifit.DominoParams___str__(self)
2037 r"""__repr__(DominoParams self) -> std::string"""
2038 return _IMP_multifit.DominoParams___repr__(self)
2040 def _get_as_binary(self):
2041 r"""_get_as_binary(DominoParams self) -> PyObject *"""
2042 return _IMP_multifit.DominoParams__get_as_binary(self)
2044 def _set_from_binary(self, p):
2045 r"""_set_from_binary(DominoParams self, PyObject * p)"""
2046 return _IMP_multifit.DominoParams__set_from_binary(self, p)
2048 def __getstate__(self):
2049 p = self._get_as_binary()
2050 if len(self.__dict__) > 1:
2051 d = self.__dict__.copy()
2056 def __setstate__(self, p):
2057 if not hasattr(self,
'this'):
2059 if isinstance(p, tuple):
2061 self.__dict__.update(d)
2062 return self._set_from_binary(p)
2064 __swig_destroy__ = _IMP_multifit.delete_DominoParams
2067 _IMP_multifit.DominoParams_swigregister(DominoParams)
2068 class XlinkParams(object):
2069 r"""Proxy of C++ IMP::multifit::XlinkParams class."""
2071 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2074 r"""__init__(XlinkParams self) -> XlinkParams"""
2075 _IMP_multifit.XlinkParams_swiginit(self, _IMP_multifit.new_XlinkParams())
2078 r"""add(XlinkParams self, boost::property_tree::ptree const & pt)"""
2079 return _IMP_multifit.XlinkParams_add(self, pt)
2081 def show(self, *args):
2082 r"""show(XlinkParams self, _ostream s=std::cout)"""
2083 return _IMP_multifit.XlinkParams_show(self, *args)
2084 upper_bound_ = property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2085 k_ = property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set, doc=
r"""k_ : float""")
2086 max_xlink_val_ = property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set, doc=
r"""max_xlink_val_ : float""")
2087 treat_between_residues_ = property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set, doc=
r"""treat_between_residues_ : bool""")
2090 r"""__str__(XlinkParams self) -> std::string"""
2091 return _IMP_multifit.XlinkParams___str__(self)
2094 r"""__repr__(XlinkParams self) -> std::string"""
2095 return _IMP_multifit.XlinkParams___repr__(self)
2097 def _get_as_binary(self):
2098 r"""_get_as_binary(XlinkParams self) -> PyObject *"""
2099 return _IMP_multifit.XlinkParams__get_as_binary(self)
2101 def _set_from_binary(self, p):
2102 r"""_set_from_binary(XlinkParams self, PyObject * p)"""
2103 return _IMP_multifit.XlinkParams__set_from_binary(self, p)
2105 def __getstate__(self):
2106 p = self._get_as_binary()
2107 if len(self.__dict__) > 1:
2108 d = self.__dict__.copy()
2113 def __setstate__(self, p):
2114 if not hasattr(self,
'this'):
2116 if isinstance(p, tuple):
2118 self.__dict__.update(d)
2119 return self._set_from_binary(p)
2121 __swig_destroy__ = _IMP_multifit.delete_XlinkParams
2124 _IMP_multifit.XlinkParams_swigregister(XlinkParams)
2125 class ConnectivityParams(object):
2126 r"""Proxy of C++ IMP::multifit::ConnectivityParams class."""
2128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2131 r"""__init__(ConnectivityParams self) -> ConnectivityParams"""
2132 _IMP_multifit.ConnectivityParams_swiginit(self, _IMP_multifit.new_ConnectivityParams())
2135 r"""add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
2136 return _IMP_multifit.ConnectivityParams_add(self, pt)
2138 def show(self, *args):
2139 r"""show(ConnectivityParams self, _ostream s=std::cout)"""
2140 return _IMP_multifit.ConnectivityParams_show(self, *args)
2141 upper_bound_ = property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2142 k_ = property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set, doc=
r"""k_ : float""")
2143 max_conn_rest_val_ = property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set, doc=
r"""max_conn_rest_val_ : float""")
2146 r"""__str__(ConnectivityParams self) -> std::string"""
2147 return _IMP_multifit.ConnectivityParams___str__(self)
2150 r"""__repr__(ConnectivityParams self) -> std::string"""
2151 return _IMP_multifit.ConnectivityParams___repr__(self)
2153 def _get_as_binary(self):
2154 r"""_get_as_binary(ConnectivityParams self) -> PyObject *"""
2155 return _IMP_multifit.ConnectivityParams__get_as_binary(self)
2157 def _set_from_binary(self, p):
2158 r"""_set_from_binary(ConnectivityParams self, PyObject * p)"""
2159 return _IMP_multifit.ConnectivityParams__set_from_binary(self, p)
2161 def __getstate__(self):
2162 p = self._get_as_binary()
2163 if len(self.__dict__) > 1:
2164 d = self.__dict__.copy()
2169 def __setstate__(self, p):
2170 if not hasattr(self,
'this'):
2172 if isinstance(p, tuple):
2174 self.__dict__.update(d)
2175 return self._set_from_binary(p)
2177 __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
2180 _IMP_multifit.ConnectivityParams_swigregister(ConnectivityParams)
2181 class FragmentsParams(object):
2182 r"""Proxy of C++ IMP::multifit::FragmentsParams class."""
2184 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2187 r"""__init__(FragmentsParams self) -> FragmentsParams"""
2188 _IMP_multifit.FragmentsParams_swiginit(self, _IMP_multifit.new_FragmentsParams())
2191 r"""add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
2192 return _IMP_multifit.FragmentsParams_add(self, pt)
2194 def show(self, *args):
2195 r"""show(FragmentsParams self, _ostream s=std::cout)"""
2196 return _IMP_multifit.FragmentsParams_show(self, *args)
2197 frag_len_ = property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set, doc=
r"""frag_len_ : int""")
2198 bead_radius_scale_ = property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set, doc=
r"""bead_radius_scale_ : float""")
2199 load_atomic_ = property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set, doc=
r"""load_atomic_ : bool""")
2200 subunit_rigid_ = property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set, doc=
r"""subunit_rigid_ : bool""")
2203 r"""__str__(FragmentsParams self) -> std::string"""
2204 return _IMP_multifit.FragmentsParams___str__(self)
2207 r"""__repr__(FragmentsParams self) -> std::string"""
2208 return _IMP_multifit.FragmentsParams___repr__(self)
2210 def _get_as_binary(self):
2211 r"""_get_as_binary(FragmentsParams self) -> PyObject *"""
2212 return _IMP_multifit.FragmentsParams__get_as_binary(self)
2214 def _set_from_binary(self, p):
2215 r"""_set_from_binary(FragmentsParams self, PyObject * p)"""
2216 return _IMP_multifit.FragmentsParams__set_from_binary(self, p)
2218 def __getstate__(self):
2219 p = self._get_as_binary()
2220 if len(self.__dict__) > 1:
2221 d = self.__dict__.copy()
2226 def __setstate__(self, p):
2227 if not hasattr(self,
'this'):
2229 if isinstance(p, tuple):
2231 self.__dict__.update(d)
2232 return self._set_from_binary(p)
2234 __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
2237 _IMP_multifit.FragmentsParams_swigregister(FragmentsParams)
2238 class RogParams(object):
2239 r"""Proxy of C++ IMP::multifit::RogParams class."""
2241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2244 r"""__init__(RogParams self) -> RogParams"""
2245 _IMP_multifit.RogParams_swiginit(self, _IMP_multifit.new_RogParams())
2248 r"""add(RogParams self, boost::property_tree::ptree const & pt)"""
2249 return _IMP_multifit.RogParams_add(self, pt)
2251 def get_max_score(self):
2252 r"""get_max_score(RogParams self) -> float"""
2253 return _IMP_multifit.RogParams_get_max_score(self)
2255 def get_scale(self):
2256 r"""get_scale(RogParams self) -> float"""
2257 return _IMP_multifit.RogParams_get_scale(self)
2259 def show(self, *args):
2260 r"""show(RogParams self, _ostream s=std::cout)"""
2261 return _IMP_multifit.RogParams_show(self, *args)
2264 r"""__str__(RogParams self) -> std::string"""
2265 return _IMP_multifit.RogParams___str__(self)
2268 r"""__repr__(RogParams self) -> std::string"""
2269 return _IMP_multifit.RogParams___repr__(self)
2271 def _get_as_binary(self):
2272 r"""_get_as_binary(RogParams self) -> PyObject *"""
2273 return _IMP_multifit.RogParams__get_as_binary(self)
2275 def _set_from_binary(self, p):
2276 r"""_set_from_binary(RogParams self, PyObject * p)"""
2277 return _IMP_multifit.RogParams__set_from_binary(self, p)
2279 def __getstate__(self):
2280 p = self._get_as_binary()
2281 if len(self.__dict__) > 1:
2282 d = self.__dict__.copy()
2287 def __setstate__(self, p):
2288 if not hasattr(self,
'this'):
2290 if isinstance(p, tuple):
2292 self.__dict__.update(d)
2293 return self._set_from_binary(p)
2295 __swig_destroy__ = _IMP_multifit.delete_RogParams
2298 _IMP_multifit.RogParams_swigregister(RogParams)
2299 class EVParams(object):
2300 r"""Proxy of C++ IMP::multifit::EVParams class."""
2302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2305 r"""__init__(EVParams self) -> EVParams"""
2306 _IMP_multifit.EVParams_swiginit(self, _IMP_multifit.new_EVParams())
2309 r"""add(EVParams self, boost::property_tree::ptree const & pt)"""
2310 return _IMP_multifit.EVParams_add(self, pt)
2312 def show(self, *args):
2313 r"""show(EVParams self, _ostream s=std::cout)"""
2314 return _IMP_multifit.EVParams_show(self, *args)
2315 pair_distance_ = property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set, doc=
r"""pair_distance_ : float""")
2316 pair_slack_ = property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set, doc=
r"""pair_slack_ : float""")
2317 hlb_mean_ = property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set, doc=
r"""hlb_mean_ : float""")
2318 hlb_k_ = property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set, doc=
r"""hlb_k_ : float""")
2319 maximum_ev_score_for_pair_ = property(_IMP_multifit.EVParams_maximum_ev_score_for_pair__get, _IMP_multifit.EVParams_maximum_ev_score_for_pair__set, doc=
r"""maximum_ev_score_for_pair_ : float""")
2320 allowed_percentage_of_bad_pairs_ = property(_IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__get, _IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__set, doc=
r"""allowed_percentage_of_bad_pairs_ : float""")
2321 scoring_mode_ = property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set, doc=
r"""scoring_mode_ : int""")
2324 r"""__str__(EVParams self) -> std::string"""
2325 return _IMP_multifit.EVParams___str__(self)
2328 r"""__repr__(EVParams self) -> std::string"""
2329 return _IMP_multifit.EVParams___repr__(self)
2331 def _get_as_binary(self):
2332 r"""_get_as_binary(EVParams self) -> PyObject *"""
2333 return _IMP_multifit.EVParams__get_as_binary(self)
2335 def _set_from_binary(self, p):
2336 r"""_set_from_binary(EVParams self, PyObject * p)"""
2337 return _IMP_multifit.EVParams__set_from_binary(self, p)
2339 def __getstate__(self):
2340 p = self._get_as_binary()
2341 if len(self.__dict__) > 1:
2342 d = self.__dict__.copy()
2347 def __setstate__(self, p):
2348 if not hasattr(self,
'this'):
2350 if isinstance(p, tuple):
2352 self.__dict__.update(d)
2353 return self._set_from_binary(p)
2355 __swig_destroy__ = _IMP_multifit.delete_EVParams
2358 _IMP_multifit.EVParams_swigregister(EVParams)
2359 class FiltersParams(object):
2360 r"""Proxy of C++ IMP::multifit::FiltersParams class."""
2362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2365 r"""__init__(FiltersParams self) -> FiltersParams"""
2366 _IMP_multifit.FiltersParams_swiginit(self, _IMP_multifit.new_FiltersParams())
2369 r"""add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2370 return _IMP_multifit.FiltersParams_add(self, pt)
2372 def show(self, *args):
2373 r"""show(FiltersParams self, _ostream s=std::cout)"""
2374 return _IMP_multifit.FiltersParams_show(self, *args)
2375 max_num_violated_xlink_ = property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set, doc=
r"""max_num_violated_xlink_ : int""")
2376 max_num_violated_conn_ = property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set, doc=
r"""max_num_violated_conn_ : int""")
2377 max_num_violated_ev_ = property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set, doc=
r"""max_num_violated_ev_ : int""")
2380 r"""__str__(FiltersParams self) -> std::string"""
2381 return _IMP_multifit.FiltersParams___str__(self)
2384 r"""__repr__(FiltersParams self) -> std::string"""
2385 return _IMP_multifit.FiltersParams___repr__(self)
2387 def _get_as_binary(self):
2388 r"""_get_as_binary(FiltersParams self) -> PyObject *"""
2389 return _IMP_multifit.FiltersParams__get_as_binary(self)
2391 def _set_from_binary(self, p):
2392 r"""_set_from_binary(FiltersParams self, PyObject * p)"""
2393 return _IMP_multifit.FiltersParams__set_from_binary(self, p)
2395 def __getstate__(self):
2396 p = self._get_as_binary()
2397 if len(self.__dict__) > 1:
2398 d = self.__dict__.copy()
2403 def __setstate__(self, p):
2404 if not hasattr(self,
'this'):
2406 if isinstance(p, tuple):
2408 self.__dict__.update(d)
2409 return self._set_from_binary(p)
2411 __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2414 _IMP_multifit.FiltersParams_swigregister(FiltersParams)
2415 class FittingParams(object):
2416 r"""Proxy of C++ IMP::multifit::FittingParams class."""
2418 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2421 r"""__init__(FittingParams self) -> FittingParams"""
2422 _IMP_multifit.FittingParams_swiginit(self, _IMP_multifit.new_FittingParams())
2425 r"""add(FittingParams self, boost::property_tree::ptree const & pt)"""
2426 return _IMP_multifit.FittingParams_add(self, pt)
2428 def show(self, *args):
2429 r"""show(FittingParams self, _ostream s=std::cout)"""
2430 return _IMP_multifit.FittingParams_show(self, *args)
2431 pca_max_angle_diff_ = property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set, doc=
r"""pca_max_angle_diff_ : float""")
2432 pca_max_size_diff_ = property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set, doc=
r"""pca_max_size_diff_ : float""")
2433 pca_max_cent_dist_diff_ = property(_IMP_multifit.FittingParams_pca_max_cent_dist_diff__get, _IMP_multifit.FittingParams_pca_max_cent_dist_diff__set, doc=
r"""pca_max_cent_dist_diff_ : float""")
2434 max_asmb_fit_score_ = property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set, doc=
r"""max_asmb_fit_score_ : float""")
2437 r"""__str__(FittingParams self) -> std::string"""
2438 return _IMP_multifit.FittingParams___str__(self)
2441 r"""__repr__(FittingParams self) -> std::string"""
2442 return _IMP_multifit.FittingParams___repr__(self)
2444 def _get_as_binary(self):
2445 r"""_get_as_binary(FittingParams self) -> PyObject *"""
2446 return _IMP_multifit.FittingParams__get_as_binary(self)
2448 def _set_from_binary(self, p):
2449 r"""_set_from_binary(FittingParams self, PyObject * p)"""
2450 return _IMP_multifit.FittingParams__set_from_binary(self, p)
2452 def __getstate__(self):
2453 p = self._get_as_binary()
2454 if len(self.__dict__) > 1:
2455 d = self.__dict__.copy()
2460 def __setstate__(self, p):
2461 if not hasattr(self,
'this'):
2463 if isinstance(p, tuple):
2465 self.__dict__.update(d)
2466 return self._set_from_binary(p)
2468 __swig_destroy__ = _IMP_multifit.delete_FittingParams
2471 _IMP_multifit.FittingParams_swigregister(FittingParams)
2472 class ComplementarityParams(object):
2473 r"""Proxy of C++ IMP::multifit::ComplementarityParams class."""
2475 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2478 r"""__init__(ComplementarityParams self) -> ComplementarityParams"""
2479 _IMP_multifit.ComplementarityParams_swiginit(self, _IMP_multifit.new_ComplementarityParams())
2482 r"""add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2483 return _IMP_multifit.ComplementarityParams_add(self, pt)
2485 def show(self, *args):
2486 r"""show(ComplementarityParams self, _ostream s=std::cout)"""
2487 return _IMP_multifit.ComplementarityParams_show(self, *args)
2488 max_score_ = property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set, doc=
r"""max_score_ : float""")
2489 max_penetration_ = property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set, doc=
r"""max_penetration_ : float""")
2490 interior_layer_thickness_ = property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set, doc=
r"""interior_layer_thickness_ : float""")
2491 boundary_coef_ = property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set, doc=
r"""boundary_coef_ : float""")
2492 comp_coef_ = property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set, doc=
r"""comp_coef_ : float""")
2493 penetration_coef_ = property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set, doc=
r"""penetration_coef_ : float""")
2496 r"""__str__(ComplementarityParams self) -> std::string"""
2497 return _IMP_multifit.ComplementarityParams___str__(self)
2500 r"""__repr__(ComplementarityParams self) -> std::string"""
2501 return _IMP_multifit.ComplementarityParams___repr__(self)
2503 def _get_as_binary(self):
2504 r"""_get_as_binary(ComplementarityParams self) -> PyObject *"""
2505 return _IMP_multifit.ComplementarityParams__get_as_binary(self)
2507 def _set_from_binary(self, p):
2508 r"""_set_from_binary(ComplementarityParams self, PyObject * p)"""
2509 return _IMP_multifit.ComplementarityParams__set_from_binary(self, p)
2511 def __getstate__(self):
2512 p = self._get_as_binary()
2513 if len(self.__dict__) > 1:
2514 d = self.__dict__.copy()
2519 def __setstate__(self, p):
2520 if not hasattr(self,
'this'):
2522 if isinstance(p, tuple):
2524 self.__dict__.update(d)
2525 return self._set_from_binary(p)
2527 __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2530 _IMP_multifit.ComplementarityParams_swigregister(ComplementarityParams)
2531 class AlignmentParams(object):
2532 r"""Proxy of C++ IMP::multifit::AlignmentParams class."""
2534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2536 def __init__(self, *args):
2538 __init__(AlignmentParams self) -> AlignmentParams
2539 __init__(AlignmentParams self, char const * param_filename) -> AlignmentParams
2541 _IMP_multifit.AlignmentParams_swiginit(self, _IMP_multifit.new_AlignmentParams(*args))
2543 def get_domino_params(self):
2544 r"""get_domino_params(AlignmentParams self) -> DominoParams"""
2545 return _IMP_multifit.AlignmentParams_get_domino_params(self)
2547 def get_fitting_params(self):
2548 r"""get_fitting_params(AlignmentParams self) -> FittingParams"""
2549 return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2551 def get_complementarity_params(self):
2552 r"""get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2553 return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2555 def get_xlink_params(self):
2556 r"""get_xlink_params(AlignmentParams self) -> XlinkParams"""
2557 return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2559 def get_connectivity_params(self):
2560 r"""get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2561 return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2563 def get_rog_params(self):
2564 r"""get_rog_params(AlignmentParams self) -> RogParams"""
2565 return _IMP_multifit.AlignmentParams_get_rog_params(self)
2567 def get_fragments_params(self):
2568 r"""get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2569 return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2571 def get_filters_params(self):
2572 r"""get_filters_params(AlignmentParams self) -> FiltersParams"""
2573 return _IMP_multifit.AlignmentParams_get_filters_params(self)
2575 def get_ev_params(self):
2576 r"""get_ev_params(AlignmentParams self) -> EVParams"""
2577 return _IMP_multifit.AlignmentParams_get_ev_params(self)
2579 def show(self, *args):
2580 r"""show(AlignmentParams self, _ostream s=std::cout)"""
2581 return _IMP_multifit.AlignmentParams_show(self, *args)
2584 r"""__str__(AlignmentParams self) -> std::string"""
2585 return _IMP_multifit.AlignmentParams___str__(self)
2588 r"""__repr__(AlignmentParams self) -> std::string"""
2589 return _IMP_multifit.AlignmentParams___repr__(self)
2591 def _get_as_binary(self):
2592 r"""_get_as_binary(AlignmentParams self) -> PyObject *"""
2593 return _IMP_multifit.AlignmentParams__get_as_binary(self)
2595 def _set_from_binary(self, p):
2596 r"""_set_from_binary(AlignmentParams self, PyObject * p)"""
2597 return _IMP_multifit.AlignmentParams__set_from_binary(self, p)
2599 def __getstate__(self):
2600 p = self._get_as_binary()
2601 if len(self.__dict__) > 1:
2602 d = self.__dict__.copy()
2607 def __setstate__(self, p):
2608 if not hasattr(self,
'this'):
2610 if isinstance(p, tuple):
2612 self.__dict__.update(d)
2613 return self._set_from_binary(p)
2615 __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2618 _IMP_multifit.AlignmentParams_swigregister(AlignmentParams)
2619 class ProteomicsEMAlignmentAtomic(
IMP.Object):
2620 r"""Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class."""
2622 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2624 def __init__(self, mapping_data, asmb_data, align_param):
2625 r"""__init__(ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2626 _IMP_multifit.ProteomicsEMAlignmentAtomic_swiginit(self, _IMP_multifit.new_ProteomicsEMAlignmentAtomic(mapping_data, asmb_data, align_param))
2629 r"""align(ProteomicsEMAlignmentAtomic self)"""
2630 return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2632 def add_all_restraints(self):
2633 r"""add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2634 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2636 def get_restraint_set(self):
2637 r"""get_restraint_set(ProteomicsEMAlignmentAtomic self) -> RestraintSet"""
2638 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_restraint_set(self)
2640 def add_states_and_filters(self):
2641 r"""add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2642 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2644 def show_domino_merge_tree(self):
2645 r"""show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2646 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2648 def get_combinations(self, uniques=False):
2649 r"""get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments"""
2650 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2652 def set_density_map(self, dmap, threshold):
2653 r"""set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2654 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, dmap, threshold)
2656 def get_molecules(self):
2657 r"""get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2658 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2660 def get_rigid_bodies(self):
2661 r"""get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2662 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2664 def load_combination_of_states(self, state4particles):
2665 r"""load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2666 return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, state4particles)
2668 def show_scores_header(self, *args):
2669 r"""show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)"""
2670 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2672 def get_model(self):
2673 r"""get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2674 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2676 def set_fast_scoring(self, state):
2677 r"""set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2678 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, state)
2680 def get_version_info(self):
2681 r"""get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2682 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2683 __swig_destroy__ = _IMP_multifit.delete_ProteomicsEMAlignmentAtomic
2686 r"""__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2687 return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2690 r"""__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2691 return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2695 return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2699 _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2702 r"""write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2703 return _IMP_multifit.write_connolly_surface(atoms, fn, density, probe_radius)
2705 r"""Proxy of C++ IMP::multifit::Ensemble class."""
2707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2709 def load_combination(self, fit_comb):
2710 r"""load_combination(Ensemble self, IMP::Ints fit_comb)"""
2711 return _IMP_multifit.Ensemble_load_combination(self, fit_comb)
2713 def unload_combination(self, fit_comb):
2714 r"""unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2715 return _IMP_multifit.Ensemble_unload_combination(self, fit_comb)
2717 def add_component_and_fits(self, mh, fits):
2718 r"""add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2719 return _IMP_multifit.Ensemble_add_component_and_fits(self, mh, fits)
2721 def get_molecules(self):
2722 r"""get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2723 return _IMP_multifit.Ensemble_get_molecules(self)
2725 def get_rigid_bodies(self):
2726 r"""get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2727 return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2730 r"""get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2731 return _IMP_multifit.Ensemble_get_rmsd(self, second_xyz)
2733 def __init__(self, sd, mapping_data):
2734 r"""__init__(Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2735 _IMP_multifit.Ensemble_swiginit(self, _IMP_multifit.new_Ensemble(sd, mapping_data))
2737 def score_by_restraints(self, rs, combinations):
2738 r"""score_by_restraints(Ensemble self, IMP::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2739 return _IMP_multifit.Ensemble_score_by_restraints(self, rs, combinations)
2741 def get_version_info(self):
2742 r"""get_version_info(Ensemble self) -> VersionInfo"""
2743 return _IMP_multifit.Ensemble_get_version_info(self)
2744 __swig_destroy__ = _IMP_multifit.delete_Ensemble
2747 r"""__str__(Ensemble self) -> std::string"""
2748 return _IMP_multifit.Ensemble___str__(self)
2751 r"""__repr__(Ensemble self) -> std::string"""
2752 return _IMP_multifit.Ensemble___repr__(self)
2756 return _object_cast_to_Ensemble(o)
2760 _IMP_multifit.Ensemble_swigregister(Ensemble)
2762 def load_ensemble(sd, mdl, mapping_data):
2763 r"""load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2764 return _IMP_multifit.load_ensemble(sd, mdl, mapping_data)
2766 r"""Proxy of C++ IMP::multifit::RigidLeavesRefiner class."""
2768 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2770 def __init__(self, *args):
2771 r"""__init__(RigidLeavesRefiner self, std::string name="RigidLeavesRefiner%d") -> RigidLeavesRefiner"""
2772 _IMP_multifit.RigidLeavesRefiner_swiginit(self, _IMP_multifit.new_RigidLeavesRefiner(*args))
2774 def do_get_inputs(self, m, pis):
2775 r"""do_get_inputs(RigidLeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2776 return _IMP_multifit.RigidLeavesRefiner_do_get_inputs(self, m, pis)
2778 def get_version_info(self):
2779 r"""get_version_info(RigidLeavesRefiner self) -> VersionInfo"""
2780 return _IMP_multifit.RigidLeavesRefiner_get_version_info(self)
2781 __swig_destroy__ = _IMP_multifit.delete_RigidLeavesRefiner
2784 r"""__str__(RigidLeavesRefiner self) -> std::string"""
2785 return _IMP_multifit.RigidLeavesRefiner___str__(self)
2788 r"""__repr__(RigidLeavesRefiner self) -> std::string"""
2789 return _IMP_multifit.RigidLeavesRefiner___repr__(self)
2793 return _object_cast_to_RigidLeavesRefiner(o)
2797 _IMP_multifit.RigidLeavesRefiner_swigregister(RigidLeavesRefiner)
2799 _all_commands = [
"param",
"anchors",
"fit_fft",
"cluster",
"add_fit_rmsd",
2800 "indexes",
"proteomics",
"align",
"models",
"transforms",
2801 "score",
"merge_tree",
"reference",
"refine_fft",
"segment"]
2805 r"""get_module_version() -> std::string const"""
2806 return _IMP_multifit.get_module_version()
2809 r"""get_example_path(std::string fname) -> std::string"""
2810 return _IMP_multifit.get_example_path(fname)
2813 r"""get_data_path(std::string fname) -> std::string"""
2814 return _IMP_multifit.get_data_path(fname)
2816 from .
import _version_check
def get_module_version
Return the version of this module, as a string.
IntsList get_anchor_indices_matching_secondary_structure(const AnchorsData &ad, const atom::SecondaryStructureResidues &ssrs, Float max_rmsd=0.7)
Get lists of anchors that match a sequence of secondary structures.
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::Particle *ap, Float dist)
prune solutions by distance to an anchor point
IntsList get_connected_components(em::DensityMap *dmap, float threshold, float edge_threshold)
Return connected components based on density values.
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
em::DensityMap * remove_background(em::DensityMap *dmap, float threshold, float edge_threshold)
Returns a map containing all density without the background.
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
def get_example_path
Return the full path to one of this module's example files.
multifit::SettingsData * get_partial_assembly_setting_data(multifit::SettingsData *prots_sd, const Strings &prot_names)
Get the assembly data for a few of the proteins.
Composable functors to implement scores via compile-time composition.
em::FittingSolutions pca_based_rigid_fitting(core::RigidBody rb, Refiner *rb_refiner, em::DensityMap *em_map, Float threshold, FloatKey wei_key=atom::Mass::get_mass_key(), algebra::PrincipalComponentAnalysis dens_pca_input=algebra::PrincipalComponentAnalysis())
Compute fitting scores for a given set of rigid transformations.
Code to compute statistical measures.
def get_data_path
Return the full path to one of this module's data files.
void add_surface_index(core::Hierarchy mhd, Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=core::XYZR::get_radius_key(), FloatKey weight_key=atom::Mass::get_mass_key())
Add shell index to leaves.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
void get_anchors_for_density(em::DensityMap *dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)
Generate anchors in several formats for a given density map.
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Basic utilities for handling cryo-electron microscopy 3D density maps.
void write_fitting_solutions(const char *fitting_fn, const FittingSolutionRecords &fit_sols, int num_sols=-1)
Write fitting solutions to a file.
ProteomicsData * read_proteomics_data(const char *proteomics_fn)
Proteomics reader.
IMP::Restraint * create_weighted_excluded_volume_restraint(core::RigidBody rb1, core::RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind"))
Create a weighted excluded volume restraint between two rigid bodies.
algebra::Vector3Ds get_points_close_to_molecule(const atom::Hierarchy &mh, const algebra::Vector3Ds points, Float max_dist)
void get_segmentation(em::DensityMap *dmap, double apix, double density_threshold, int num_means, const std::string pdb_filename, const std::string cmm_filename, const std::string seg_filename, const std::string txt_filename)
Segment a density map using the anchor graph.
void write_connolly_surface(atom::Atoms atoms, TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
multifit::FittingSolutionRecords fft_based_rigid_fitting(atom::Hierarchy mol2fit, em::DensityMap *dmap, double density_threshold, double angle_sampling_interval_rad)
FFT fit of a molecule in the density.
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...
IntsList read_paths(const char *txt_filename, int max_paths=INT_MAX)
Read paths.
FittingSolutionRecords read_fitting_solutions(const char *fitting_fn)
Fitting solutions reader.
Abstract class to implement hierarchical methods.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for the RMF file format for storing hierarchical molecular data and markup.
Divide-and-conquer inferential optimization in discrete space.
Support for small angle X-ray scattering (SAXS) data.
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...
A restraint is a term in an IMP ScoringFunction.
atom::Hierarchy create_coarse_molecule_from_density(em::DensityMap *dmap, float dens_threshold, int num_beads, Model *mdl, float bead_radius)
Coarsen a density map based on voxels clustering.