11 from sys
import version_info
12 if version_info >= (2,6,0):
13 def swig_import_helper():
14 from os.path
import dirname
18 fp, pathname, description = imp.find_module(
'_IMP_multifit', [dirname(__file__)])
24 _mod = imp.load_module(
'_IMP_multifit', fp, pathname, description)
28 _IMP_multifit = swig_import_helper()
29 del swig_import_helper
34 _swig_property = property
37 def _swig_setattr_nondynamic(self,class_type,name,value,static=1):
38 if (name ==
"thisown"):
return self.this.own(value)
40 if type(value).__name__ ==
'SwigPyObject':
41 self.__dict__[name] = value
43 method = class_type.__swig_setmethods__.get(name,
None)
44 if method:
return method(self,value)
46 self.__dict__[name] = value
48 raise AttributeError(
"You cannot add attributes to %s" % self)
50 def _swig_setattr(self,class_type,name,value):
51 return _swig_setattr_nondynamic(self,class_type,name,value,0)
53 def _swig_getattr(self,class_type,name):
54 if (name ==
"thisown"):
return self.this.own()
55 method = class_type.__swig_getmethods__.get(name,
None)
56 if method:
return method(self)
57 raise AttributeError(name)
60 try: strthis =
"proxy of " + self.this.__repr__()
62 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
67 except AttributeError:
72 def _swig_setattr_nondynamic_method(set):
73 def set_attr(self,name,value):
74 if (name ==
"thisown"):
return self.this.own(value)
75 if hasattr(self,name)
or (name ==
"this"):
78 raise AttributeError(
"You cannot add attributes to %s" % self)
84 weakref_proxy = weakref.proxy
86 weakref_proxy =
lambda x: x
89 class IMP_MULTIFIT_SwigPyIterator(object):
90 """Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class"""
91 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
92 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined - class is abstract")
94 __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
95 __del__ =
lambda self :
None;
97 """value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
98 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
102 incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
103 incr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
105 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
109 decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
110 decr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
112 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
114 def distance(self, *args):
115 """distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
116 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, *args)
118 def equal(self, *args):
119 """equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
120 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, *args)
123 """copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
124 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
127 """next(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
128 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_next(self)
131 """__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
132 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
135 """previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
136 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
138 def advance(self, *args):
139 """advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
140 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, *args)
142 def __eq__(self, *args):
143 """__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
144 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, *args)
146 def __ne__(self, *args):
147 """__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
148 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, *args)
150 def __iadd__(self, *args):
151 """__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
152 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, *args)
154 def __isub__(self, *args):
155 """__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
156 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, *args)
158 def __add__(self, *args):
159 """__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
160 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, *args)
162 def __sub__(self, *args):
164 __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
165 __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
167 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
169 def __iter__(self):
return self
170 IMP_MULTIFIT_SwigPyIterator_swigregister = _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister
171 IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
178 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
179 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
180 IMP_SILENT = _IMP_multifit.IMP_SILENT
181 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
182 IMP_TERSE = _IMP_multifit.IMP_TERSE
183 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
184 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
185 IMP_NONE = _IMP_multifit.IMP_NONE
186 IMP_USAGE = _IMP_multifit.IMP_USAGE
187 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
188 IMP_BASE_HAS_LOG4CXX = _IMP_multifit.IMP_BASE_HAS_LOG4CXX
189 IMP_COMPILER_HAS_AUTO = _IMP_multifit.IMP_COMPILER_HAS_AUTO
190 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
191 IMP_BASE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_BASE_HAS_BOOST_RANDOM
192 IMP_BASE_HAS_GPERFTOOLS = _IMP_multifit.IMP_BASE_HAS_GPERFTOOLS
193 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
194 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
195 IMPBASE_SHOW_WARNINGS = _IMP_multifit.IMPBASE_SHOW_WARNINGS
197 class _DirectorObjects(object):
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 """Proxy of C++ std::ostream class"""
224 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
225 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined")
226 __repr__ = _swig_repr
227 def write(self, *args):
228 """write(_ostream self, char const * osa_buf)"""
229 return _IMP_multifit._ostream_write(self, *args)
231 _ostream_swigregister = _IMP_multifit._ostream_swigregister
232 _ostream_swigregister(_ostream)
234 IMP_COMPILER_HAS_OVERRIDE = _IMP_multifit.IMP_COMPILER_HAS_OVERRIDE
235 IMP_COMPILER_HAS_FINAL = _IMP_multifit.IMP_COMPILER_HAS_FINAL
236 IMP_HAS_NOEXCEPT = _IMP_multifit.IMP_HAS_NOEXCEPT
238 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
239 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
240 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
241 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_SYSTEM
242 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
244 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
245 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
247 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
248 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_SYSTEM
249 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
250 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
251 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
253 IMP_KERNEL_HAS_IMP_CGAL = _IMP_multifit.IMP_KERNEL_HAS_IMP_CGAL
254 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
255 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
256 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_SYSTEM
257 IMP_KERNEL_HAS_CGAL = _IMP_multifit.IMP_KERNEL_HAS_CGAL
258 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
260 IMP_DISPLAY_HAS_IMP_BASE = _IMP_multifit.IMP_DISPLAY_HAS_IMP_BASE
261 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
262 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
264 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
265 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_SYSTEM
266 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
267 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
269 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
270 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
271 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
272 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
273 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
274 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
275 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
276 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
278 IMP_STATISTICS_HAS_IMP_BASE = _IMP_multifit.IMP_STATISTICS_HAS_IMP_BASE
279 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
280 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
281 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
282 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
283 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_SYSTEM
284 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
285 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
287 IMP_CORE_HAS_IMP_BASE = _IMP_multifit.IMP_CORE_HAS_IMP_BASE
288 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
289 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
290 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
291 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
292 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
293 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_SYSTEM
294 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
295 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
296 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
298 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
299 IMP_CONTAINER_HAS_IMP_BASE = _IMP_multifit.IMP_CONTAINER_HAS_IMP_BASE
300 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
301 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
302 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
303 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
304 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
305 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
306 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
307 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_SYSTEM
308 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
309 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
310 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
312 IMP_ATOM_HAS_IMP_BASE = _IMP_multifit.IMP_ATOM_HAS_IMP_BASE
313 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
314 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
315 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
316 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
317 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
318 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
319 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ATOM_HAS_BOOST_SYSTEM
320 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
321 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
322 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
323 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
324 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
325 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
327 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
328 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
329 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
330 IMP_EM_HAS_IMP_KERNEL = _IMP_multifit.IMP_EM_HAS_IMP_KERNEL
331 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
332 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
333 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
334 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
335 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
336 IMP_EM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_SYSTEM
337 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
338 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
339 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
341 IMP_RMF_HAS_IMP_BASE = _IMP_multifit.IMP_RMF_HAS_IMP_BASE
342 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
343 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
344 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
345 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
346 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
347 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
348 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_SYSTEM
349 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
350 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
351 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
354 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
355 IMP_DOMINO_HAS_IMP_BASE = _IMP_multifit.IMP_DOMINO_HAS_IMP_BASE
356 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
357 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
358 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
359 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
360 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
361 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
362 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
363 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
364 IMP_DOMINO_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_SYSTEM
365 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
366 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
367 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
368 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
371 IMP_MULTIFIT_HAS_IMP_BASE = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_BASE
372 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
373 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
374 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
375 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
376 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
377 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
378 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
379 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
380 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
381 IMP_MULTIFIT_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_SYSTEM
382 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
383 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
384 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
385 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
386 _object_types.append(
"RadiusOfGyrationRestraint")
389 def _object_cast_to_RadiusOfGyrationRestraint(*args):
390 """_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
391 return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(*args)
392 _object_types.append(
"ComponentHeader")
395 def _object_cast_to_ComponentHeader(*args):
396 """_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
397 return _IMP_multifit._object_cast_to_ComponentHeader(*args)
398 _object_types.append(
"AssemblyHeader")
401 def _object_cast_to_AssemblyHeader(*args):
402 """_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
403 return _IMP_multifit._object_cast_to_AssemblyHeader(*args)
404 _object_types.append(
"SettingsData")
407 def _object_cast_to_SettingsData(*args):
408 """_object_cast_to_SettingsData(Object o) -> SettingsData"""
409 return _IMP_multifit._object_cast_to_SettingsData(*args)
410 _object_types.append(
"WeightedExcludedVolumeRestraint")
413 def _object_cast_to_WeightedExcludedVolumeRestraint(*args):
414 """_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
415 return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(*args)
416 _object_types.append(
"ComplementarityRestraint")
419 def _object_cast_to_ComplementarityRestraint(*args):
420 """_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
421 return _IMP_multifit._object_cast_to_ComplementarityRestraint(*args)
422 ProteinRecordDataList=list
423 _plural_types.append(
"ProteinRecordDataList")
424 _value_types.append(
"ProteinRecordData")
426 FittingSolutionRecords=list
427 _plural_types.append(
"FittingSolutionRecords")
428 _value_types.append(
"FittingSolutionRecord")
431 _plural_types.append(
"AnchorsDataList")
432 _value_types.append(
"AnchorsData")
434 DominoParamsList=list
435 _plural_types.append(
"DominoParamsList")
436 _value_types.append(
"DominoParams")
438 ComplementarityParamsList=list
439 _plural_types.append(
"ComplementarityParamsList")
440 _value_types.append(
"ComplementarityParams")
443 _plural_types.append(
"XlinkParamsList")
444 _value_types.append(
"XlinkParams")
446 ConnectivityParamsList=list
447 _plural_types.append(
"ConnectivityParamsList")
448 _value_types.append(
"ConnectivityParams")
450 FragmentsParamsList=list
451 _plural_types.append(
"FragmentsParamsList")
452 _value_types.append(
"FragmentsParams")
455 _plural_types.append(
"RogParamsList")
456 _value_types.append(
"RogParams")
459 _plural_types.append(
"EVParamsList")
460 _value_types.append(
"EVParams")
462 FiltersParamsList=list
463 _plural_types.append(
"FiltersParamsList")
464 _value_types.append(
"FiltersParams")
466 AlignmentParamsList=list
467 _plural_types.append(
"AlignmentParamsList")
468 _value_types.append(
"AlignmentParams")
470 FittingParamsList=list
471 _plural_types.append(
"FittingParamsList")
472 _value_types.append(
"FittingParams")
474 ProteinsAnchorsSamplingSpaces=list
475 _plural_types.append(
"ProteinsAnchorsSamplingSpaces")
476 _value_types.append(
"ProteinsAnchorsSamplingSpace")
478 _object_types.append(
"ProteomicsData")
481 def _object_cast_to_ProteomicsData(*args):
482 """_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
483 return _IMP_multifit._object_cast_to_ProteomicsData(*args)
484 _object_types.append(
"FFTFitting")
487 def _object_cast_to_FFTFitting(*args):
488 """_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
489 return _IMP_multifit._object_cast_to_FFTFitting(*args)
490 _object_types.append(
"FFTFittingOutput")
493 def _object_cast_to_FFTFittingOutput(*args):
494 """_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
495 return _IMP_multifit._object_cast_to_FFTFittingOutput(*args)
496 _object_types.append(
"ProbabilisticAnchorGraph")
499 def _object_cast_to_ProbabilisticAnchorGraph(*args):
500 """_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
501 return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(*args)
502 _object_types.append(
"Ensemble")
505 def _object_cast_to_Ensemble(*args):
506 """_object_cast_to_Ensemble(Object o) -> Ensemble"""
507 return _IMP_multifit._object_cast_to_Ensemble(*args)
508 _object_types.append(
"ProteomicsEMAlignmentAtomic")
511 def _object_cast_to_ProteomicsEMAlignmentAtomic(*args):
512 """_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
513 return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(*args)
517 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key(),
518 FloatKey weight_key=IMP::atom::Mass::get_mass_key())
519 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key())
520 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"))
521 add_surface_index(Hierarchy mhd, IMP::Float apix)
523 return _IMP_multifit.add_surface_index(*args)
527 create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind")) -> Restraint
528 create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2) -> Restraint
530 return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
531 class FittingSolutionRecord(object):
532 """Proxy of C++ IMP::multifit::FittingSolutionRecord class"""
533 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
535 """__init__(IMP::multifit::FittingSolutionRecord self) -> FittingSolutionRecord"""
536 this = _IMP_multifit.new_FittingSolutionRecord()
537 try: self.this.append(this)
538 except: self.this = this
540 """get_index(FittingSolutionRecord self) -> unsigned int"""
541 return _IMP_multifit.FittingSolutionRecord_get_index(self)
543 def set_index(self, *args):
544 """set_index(FittingSolutionRecord self, unsigned int new_ind)"""
545 return _IMP_multifit.FittingSolutionRecord_set_index(self, *args)
547 def get_solution_filename(self):
548 """get_solution_filename(FittingSolutionRecord self) -> std::string"""
549 return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
551 def set_solution_filename(self, *args):
552 """set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
553 return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, *args)
555 def get_fit_transformation(self):
556 """get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
557 return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
559 def set_fit_transformation(self, *args):
560 """set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
561 return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, *args)
563 def get_match_size(self):
564 """get_match_size(FittingSolutionRecord self) -> unsigned int"""
565 return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
567 def set_match_size(self, *args):
568 """set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
569 return _IMP_multifit.FittingSolutionRecord_set_match_size(self, *args)
571 def get_match_average_distance(self):
572 """get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
573 return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
575 def set_match_average_distance(self, *args):
576 """set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
577 return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, *args)
579 def get_fitting_score(self):
580 """get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
581 return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
583 def set_fitting_score(self, *args):
584 """set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
585 return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, *args)
587 def get_rmsd_to_reference(self):
588 """get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
589 return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
591 def set_rmsd_to_reference(self, *args):
592 """set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
593 return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, *args)
595 def get_dock_transformation(self):
596 """get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
597 return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
599 def set_dock_transformation(self, *args):
600 """set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
601 return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, *args)
603 def get_envelope_penetration_score(self):
604 """get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
605 return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
607 def set_envelope_penetration_score(self, *args):
608 """set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
609 return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, *args)
611 def show(self, *args):
613 show(FittingSolutionRecord self, _ostream out=std::cout)
614 show(FittingSolutionRecord self)
616 return _IMP_multifit.FittingSolutionRecord_show(self, *args)
618 def get_record_header():
619 """get_record_header() -> std::string"""
620 return _IMP_multifit.FittingSolutionRecord_get_record_header()
622 get_record_header = staticmethod(get_record_header)
624 """__str__(FittingSolutionRecord self) -> std::string"""
625 return _IMP_multifit.FittingSolutionRecord___str__(self)
628 """__repr__(FittingSolutionRecord self) -> std::string"""
629 return _IMP_multifit.FittingSolutionRecord___repr__(self)
631 __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
632 __del__ =
lambda self :
None;
633 FittingSolutionRecord_swigregister = _IMP_multifit.FittingSolutionRecord_swigregister
634 FittingSolutionRecord_swigregister(FittingSolutionRecord)
636 def FittingSolutionRecord_get_record_header():
637 """FittingSolutionRecord_get_record_header() -> std::string"""
638 return _IMP_multifit.FittingSolutionRecord_get_record_header()
643 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(),
644 PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
645 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key()) -> FittingSolutions
646 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
647 pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(),
648 PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
649 pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key()) -> FittingSolutions
650 pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
652 return _IMP_multifit.pca_based_rigid_fitting(*args)
654 def write_markers(*args):
655 """write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
656 return _IMP_multifit.write_markers(*args)
658 """Proxy of C++ IMP::multifit::ComponentHeader class"""
659 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
661 """__init__(IMP::multifit::ComponentHeader self) -> ComponentHeader"""
662 this = _IMP_multifit.new_ComponentHeader()
663 try: self.this.append(this)
664 except: self.this = this
665 def set_name(self, *args):
666 """set_name(ComponentHeader self, std::string const & name)"""
667 return _IMP_multifit.ComponentHeader_set_name(self, *args)
670 """get_name(ComponentHeader self) -> std::string"""
671 return _IMP_multifit.ComponentHeader_get_name(self)
673 def get_filename(self):
674 """get_filename(ComponentHeader self) -> std::string"""
675 return _IMP_multifit.ComponentHeader_get_filename(self)
677 def set_filename(self, *args):
678 """set_filename(ComponentHeader self, std::string const & filename)"""
679 return _IMP_multifit.ComponentHeader_set_filename(self, *args)
681 def get_surface_fn(self):
682 """get_surface_fn(ComponentHeader self) -> std::string"""
683 return _IMP_multifit.ComponentHeader_get_surface_fn(self)
685 def set_surface_fn(self, *args):
686 """set_surface_fn(ComponentHeader self, std::string const & fn)"""
687 return _IMP_multifit.ComponentHeader_set_surface_fn(self, *args)
689 def set_txt_ap_fn(self, *args):
690 """set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
691 return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, *args)
693 def get_txt_ap_fn(self):
694 """get_txt_ap_fn(ComponentHeader self) -> std::string"""
695 return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
697 def set_txt_fine_ap_fn(self, *args):
698 """set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
699 return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, *args)
701 def get_txt_fine_ap_fn(self):
702 """get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
703 return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
705 def set_num_ap(self, *args):
706 """set_num_ap(ComponentHeader self, int num_ap)"""
707 return _IMP_multifit.ComponentHeader_set_num_ap(self, *args)
709 def get_num_ap(self):
710 """get_num_ap(ComponentHeader self) -> int"""
711 return _IMP_multifit.ComponentHeader_get_num_ap(self)
713 def set_num_fine_ap(self, *args):
714 """set_num_fine_ap(ComponentHeader self, int num_ap)"""
715 return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, *args)
717 def get_num_fine_ap(self):
718 """get_num_fine_ap(ComponentHeader self) -> int"""
719 return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
721 def set_transformations_fn(self, *args):
722 """set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
723 return _IMP_multifit.ComponentHeader_set_transformations_fn(self, *args)
725 def get_transformations_fn(self):
726 """get_transformations_fn(ComponentHeader self) -> std::string"""
727 return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
729 def set_reference_fn(self, *args):
730 """set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
731 return _IMP_multifit.ComponentHeader_set_reference_fn(self, *args)
733 def get_reference_fn(self):
734 """get_reference_fn(ComponentHeader self) -> std::string"""
735 return _IMP_multifit.ComponentHeader_get_reference_fn(self)
737 def get_version_info(self):
738 """get_version_info(ComponentHeader self) -> VersionInfo"""
739 return _IMP_multifit.ComponentHeader_get_version_info(self)
742 """__str__(ComponentHeader self) -> std::string"""
743 return _IMP_multifit.ComponentHeader___str__(self)
746 """__repr__(ComponentHeader self) -> std::string"""
747 return _IMP_multifit.ComponentHeader___repr__(self)
750 return _object_cast_to_ComponentHeader(o)
751 get_from = staticmethod(get_from)
753 ComponentHeader_swigregister = _IMP_multifit.ComponentHeader_swigregister
754 ComponentHeader_swigregister(ComponentHeader)
757 """Proxy of C++ IMP::multifit::AssemblyHeader class"""
758 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
760 """__init__(IMP::multifit::AssemblyHeader self) -> AssemblyHeader"""
761 this = _IMP_multifit.new_AssemblyHeader()
762 try: self.this.append(this)
763 except: self.this = this
764 def set_dens_fn(self, *args):
765 """set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
766 return _IMP_multifit.AssemblyHeader_set_dens_fn(self, *args)
768 def get_dens_fn(self):
769 """get_dens_fn(AssemblyHeader self) -> std::string"""
770 return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
772 def set_resolution(self, *args):
773 """set_resolution(AssemblyHeader self, float res)"""
774 return _IMP_multifit.AssemblyHeader_set_resolution(self, *args)
777 """get_resolution(AssemblyHeader self) -> float"""
778 return _IMP_multifit.AssemblyHeader_get_resolution(self)
780 def get_spacing(self):
781 """get_spacing(AssemblyHeader self) -> float"""
782 return _IMP_multifit.AssemblyHeader_get_spacing(self)
784 def set_spacing(self, *args):
785 """set_spacing(AssemblyHeader self, float spacing)"""
786 return _IMP_multifit.AssemblyHeader_set_spacing(self, *args)
788 def set_threshold(self, *args):
789 """set_threshold(AssemblyHeader self, float t)"""
790 return _IMP_multifit.AssemblyHeader_set_threshold(self, *args)
792 def get_threshold(self):
793 """get_threshold(AssemblyHeader self) -> float"""
794 return _IMP_multifit.AssemblyHeader_get_threshold(self)
796 def get_origin(self):
797 """get_origin(AssemblyHeader self) -> Vector3D"""
798 return _IMP_multifit.AssemblyHeader_get_origin(self)
800 def set_origin(self, *args):
801 """set_origin(AssemblyHeader self, Vector3D origin)"""
802 return _IMP_multifit.AssemblyHeader_set_origin(self, *args)
804 def get_coarse_ap_fn(self):
805 """get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
806 return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
808 def set_coarse_ap_fn(self, *args):
809 """set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
810 return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, *args)
812 def get_coarse_over_sampled_ap_fn(self):
813 """get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
814 return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
816 def set_coarse_over_sampled_ap_fn(self, *args):
817 """set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
818 return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, *args)
820 def get_fine_ap_fn(self):
821 """get_fine_ap_fn(AssemblyHeader self) -> std::string"""
822 return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
824 def set_fine_ap_fn(self, *args):
825 """set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
826 return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, *args)
828 def get_fine_over_sampled_ap_fn(self):
829 """get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
830 return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
832 def set_fine_over_sampled_ap_fn(self, *args):
833 """set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
834 return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, *args)
836 def get_version_info(self):
837 """get_version_info(AssemblyHeader self) -> VersionInfo"""
838 return _IMP_multifit.AssemblyHeader_get_version_info(self)
841 """__str__(AssemblyHeader self) -> std::string"""
842 return _IMP_multifit.AssemblyHeader___str__(self)
845 """__repr__(AssemblyHeader self) -> std::string"""
846 return _IMP_multifit.AssemblyHeader___repr__(self)
849 return _object_cast_to_AssemblyHeader(o)
850 get_from = staticmethod(get_from)
852 AssemblyHeader_swigregister = _IMP_multifit.AssemblyHeader_swigregister
853 AssemblyHeader_swigregister(AssemblyHeader)
856 """Proxy of C++ IMP::multifit::SettingsData class"""
857 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
859 """__init__(IMP::multifit::SettingsData self) -> SettingsData"""
860 this = _IMP_multifit.new_SettingsData()
861 try: self.this.append(this)
862 except: self.this = this
863 def show_component_header_line(*args):
865 show_component_header_line(_ostream out=std::cout)
866 show_component_header_line()
868 return _IMP_multifit.SettingsData_show_component_header_line(*args)
870 show_component_header_line = staticmethod(show_component_header_line)
871 def get_component_header_line():
872 """get_component_header_line() -> std::string"""
873 return _IMP_multifit.SettingsData_get_component_header_line()
875 get_component_header_line = staticmethod(get_component_header_line)
876 def show_density_header_line(*args):
878 show_density_header_line(_ostream out=std::cout)
879 show_density_header_line()
881 return _IMP_multifit.SettingsData_show_density_header_line(*args)
883 show_density_header_line = staticmethod(show_density_header_line)
884 def get_density_header_line():
885 """get_density_header_line() -> std::string"""
886 return _IMP_multifit.SettingsData_get_density_header_line()
888 get_density_header_line = staticmethod(get_density_header_line)
889 def set_assembly_filename(self, *args):
890 """set_assembly_filename(SettingsData self, std::string const & fn)"""
891 return _IMP_multifit.SettingsData_set_assembly_filename(self, *args)
893 def get_assembly_filename(self):
894 """get_assembly_filename(SettingsData self) -> char const *"""
895 return _IMP_multifit.SettingsData_get_assembly_filename(self)
897 def set_assembly_header(self, *args):
898 """set_assembly_header(SettingsData self, AssemblyHeader h)"""
899 return _IMP_multifit.SettingsData_set_assembly_header(self, *args)
901 def get_assembly_header(self):
902 """get_assembly_header(SettingsData self) -> AssemblyHeader"""
903 return _IMP_multifit.SettingsData_get_assembly_header(self)
905 def set_data_path(self, *args):
906 """set_data_path(SettingsData self, std::string const & fn)"""
907 return _IMP_multifit.SettingsData_set_data_path(self, *args)
910 """get_data_path(SettingsData self) -> std::string"""
911 return _IMP_multifit.SettingsData_get_data_path(self)
913 def get_version_info(self):
914 """get_version_info(SettingsData self) -> VersionInfo"""
915 return _IMP_multifit.SettingsData_get_version_info(self)
917 def remove_component_header(self, *args):
918 """remove_component_header(SettingsData self, ComponentHeader d)"""
919 return _IMP_multifit.SettingsData_remove_component_header(self, *args)
921 def remove_component_headers(self, *args):
922 """remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
923 return _IMP_multifit.SettingsData_remove_component_headers(self, *args)
925 def set_component_headers(self, *args):
926 """set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
927 return _IMP_multifit.SettingsData_set_component_headers(self, *args)
929 def set_component_headers_order(self, *args):
930 """set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
931 return _IMP_multifit.SettingsData_set_component_headers_order(self, *args)
933 def add_component_header(self, *args):
934 """add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
935 return _IMP_multifit.SettingsData_add_component_header(self, *args)
937 def add_component_headers(self, *args):
938 """add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
939 return _IMP_multifit.SettingsData_add_component_headers(self, *args)
941 def clear_component_headers(self):
942 """clear_component_headers(SettingsData self)"""
943 return _IMP_multifit.SettingsData_clear_component_headers(self)
945 def get_number_of_component_headers(self):
946 """get_number_of_component_headers(SettingsData self) -> unsigned int"""
947 return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
949 def get_has_component_headers(self):
950 """get_has_component_headers(SettingsData self) -> bool"""
951 return _IMP_multifit.SettingsData_get_has_component_headers(self)
953 def get_component_header(self, *args):
954 """get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
955 return _IMP_multifit.SettingsData_get_component_header(self, *args)
957 def get_component_headers(self):
958 """get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
959 return _IMP_multifit.SettingsData_get_component_headers(self)
961 def reserve_component_headers(self, *args):
962 """reserve_component_headers(SettingsData self, unsigned int sz)"""
963 return _IMP_multifit.SettingsData_reserve_component_headers(self, *args)
966 """__str__(SettingsData self) -> std::string"""
967 return _IMP_multifit.SettingsData___str__(self)
970 """__repr__(SettingsData self) -> std::string"""
971 return _IMP_multifit.SettingsData___repr__(self)
974 return _object_cast_to_SettingsData(o)
975 get_from = staticmethod(get_from)
977 SettingsData_swigregister = _IMP_multifit.SettingsData_swigregister
978 SettingsData_swigregister(SettingsData)
980 def SettingsData_show_component_header_line(*args):
982 show_component_header_line(_ostream out=std::cout)
983 SettingsData_show_component_header_line()
985 return _IMP_multifit.SettingsData_show_component_header_line(*args)
987 def SettingsData_get_component_header_line():
988 """SettingsData_get_component_header_line() -> std::string"""
989 return _IMP_multifit.SettingsData_get_component_header_line()
991 def SettingsData_show_density_header_line(*args):
993 show_density_header_line(_ostream out=std::cout)
994 SettingsData_show_density_header_line()
996 return _IMP_multifit.SettingsData_show_density_header_line(*args)
998 def SettingsData_get_density_header_line():
999 """SettingsData_get_density_header_line() -> std::string"""
1000 return _IMP_multifit.SettingsData_get_density_header_line()
1003 def read_settings(*args):
1004 """read_settings(char const * filename) -> SettingsData"""
1005 return _IMP_multifit.read_settings(*args)
1007 def write_settings(*args):
1008 """write_settings(char const * filename, SettingsData sd)"""
1009 return _IMP_multifit.write_settings(*args)
1011 """Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class"""
1012 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1013 def __init__(self, *args):
1015 __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint
1016 __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner) -> WeightedExcludedVolumeRestraint
1018 this = _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args)
1019 try: self.this.append(this)
1020 except: self.this = this
1021 def do_get_inputs(self):
1022 """do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1023 return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1025 def get_version_info(self):
1026 """get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1027 return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1030 """__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1031 return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1034 """__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1035 return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1038 return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1039 get_from = staticmethod(get_from)
1041 WeightedExcludedVolumeRestraint_swigregister = _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister
1042 WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1045 """Proxy of C++ IMP::multifit::FFTFittingOutput class"""
1046 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1048 """__init__(IMP::multifit::FFTFittingOutput self) -> FFTFittingOutput"""
1049 this = _IMP_multifit.new_FFTFittingOutput()
1050 try: self.this.append(this)
1051 except: self.this = this
1052 def get_version_info(self):
1053 """get_version_info(FFTFittingOutput self) -> VersionInfo"""
1054 return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1056 best_fits_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set)
1057 best_trans_per_rot_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set)
1059 """__str__(FFTFittingOutput self) -> std::string"""
1060 return _IMP_multifit.FFTFittingOutput___str__(self)
1063 """__repr__(FFTFittingOutput self) -> std::string"""
1064 return _IMP_multifit.FFTFittingOutput___repr__(self)
1067 return _object_cast_to_FFTFittingOutput(o)
1068 get_from = staticmethod(get_from)
1070 FFTFittingOutput_swigregister = _IMP_multifit.FFTFittingOutput_swigregister
1071 FFTFittingOutput_swigregister(FFTFittingOutput)
1074 """Proxy of C++ IMP::multifit::FFTFitting class"""
1075 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1076 def get_version_info(self):
1077 """get_version_info(FFTFitting self) -> VersionInfo"""
1078 return _IMP_multifit.FFTFitting_get_version_info(self)
1081 """__init__(IMP::multifit::FFTFitting self) -> FFTFitting"""
1082 this = _IMP_multifit.new_FFTFitting()
1083 try: self.this.append(this)
1084 except: self.this = this
1085 def do_global_fitting(self, *args):
1087 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1088 int num_fits_to_report, double max_clustering_translation,
1089 double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1,
1090 std::string const & angles_filename="") -> FFTFittingOutput
1091 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1092 int num_fits_to_report, double max_clustering_translation,
1093 double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1) -> FFTFittingOutput
1094 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1095 int num_fits_to_report, double max_clustering_translation,
1096 double max_clustering_angle, bool cluster_fits=True) -> FFTFittingOutput
1097 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1098 int num_fits_to_report, double max_clustering_translation,
1099 double max_clustering_angle) -> FFTFittingOutput
1101 return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1103 def do_local_fitting(self, *args):
1105 do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1106 double max_angle_sampling_rad, double max_translation, int num_fits_to_report,
1107 bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation,
1108 double max_clustering_rotation, std::string const & angles_filename="") -> FFTFittingOutput
1109 do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1110 double max_angle_sampling_rad, double max_translation, int num_fits_to_report,
1111 bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation,
1112 double max_clustering_rotation) -> FFTFittingOutput
1114 return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1117 """__str__(FFTFitting self) -> std::string"""
1118 return _IMP_multifit.FFTFitting___str__(self)
1121 """__repr__(FFTFitting self) -> std::string"""
1122 return _IMP_multifit.FFTFitting___repr__(self)
1125 return _object_cast_to_FFTFitting(o)
1126 get_from = staticmethod(get_from)
1128 FFTFitting_swigregister = _IMP_multifit.FFTFitting_swigregister
1129 FFTFitting_swigregister(FFTFitting)
1133 """fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1134 return _IMP_multifit.fft_based_rigid_fitting(*args)
1137 """remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1138 return _IMP_multifit.remove_background(*args)
1141 """get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1142 return _IMP_multifit.get_connected_components(*args)
1146 get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename,
1147 std::string const cmm_filename, std::string const seg_filename,
1148 std::string const txt_filename)
1150 return _IMP_multifit.get_segmentation(*args)
1152 """Proxy of C++ IMP::multifit::ComplementarityRestraint class"""
1153 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1154 def __init__(self, *args):
1156 __init__(IMP::multifit::ComplementarityRestraint self, IMP::kernel::ParticlesTemp const & a, IMP::kernel::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint
1157 __init__(IMP::multifit::ComplementarityRestraint self, IMP::kernel::ParticlesTemp const & a, IMP::kernel::ParticlesTemp const & b) -> ComplementarityRestraint
1159 this = _IMP_multifit.new_ComplementarityRestraint(*args)
1160 try: self.this.append(this)
1161 except: self.this = this
1162 def set_maximum_penetration_score(self, *args):
1163 """set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1164 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, *args)
1166 def set_maximum_penetration(self, *args):
1167 """set_maximum_penetration(ComplementarityRestraint self, double d)"""
1168 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, *args)
1170 def set_maximum_separation(self, *args):
1171 """set_maximum_separation(ComplementarityRestraint self, double s)"""
1172 return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, *args)
1174 def set_complementarity_thickness(self, *args):
1175 """set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1176 return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, *args)
1178 def set_complementarity_value(self, *args):
1179 """set_complementarity_value(ComplementarityRestraint self, double th)"""
1180 return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, *args)
1182 def set_interior_layer_thickness(self, *args):
1183 """set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1184 return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, *args)
1186 def set_penetration_coefficient(self, *args):
1187 """set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1188 return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, *args)
1190 def set_complementarity_coefficient(self, *args):
1191 """set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1192 return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, *args)
1194 def set_boundary_coefficient(self, *args):
1195 """set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1196 return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, *args)
1198 def get_voxel_size(self):
1199 """get_voxel_size(ComplementarityRestraint self) -> float"""
1200 return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1202 def do_get_inputs(self):
1203 """do_get_inputs(ComplementarityRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1204 return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1206 def get_version_info(self):
1207 """get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1208 return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1211 """__str__(ComplementarityRestraint self) -> std::string"""
1212 return _IMP_multifit.ComplementarityRestraint___str__(self)
1215 """__repr__(ComplementarityRestraint self) -> std::string"""
1216 return _IMP_multifit.ComplementarityRestraint___repr__(self)
1219 return _object_cast_to_ComplementarityRestraint(o)
1220 get_from = staticmethod(get_from)
1222 ComplementarityRestraint_swigregister = _IMP_multifit.ComplementarityRestraint_swigregister
1223 ComplementarityRestraint_swigregister(ComplementarityRestraint)
1227 """read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1228 return _IMP_multifit.read_fitting_solutions(*args)
1232 write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols,
1234 write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols)
1236 return _IMP_multifit.write_fitting_solutions(*args)
1238 def convert_em_to_multifit_format(*args):
1239 """convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1240 return _IMP_multifit.convert_em_to_multifit_format(*args)
1242 def convert_multifit_to_em_format(*args):
1243 """convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1244 return _IMP_multifit.convert_multifit_to_em_format(*args)
1246 def convert_transformations_to_multifit_format(*args):
1247 """convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1248 return _IMP_multifit.convert_transformations_to_multifit_format(*args)
1250 def convert_multifit_format_to_transformations(*args):
1251 """convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1252 return _IMP_multifit.convert_multifit_format_to_transformations(*args)
1256 get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap,
1257 IMP::Float dist) -> IMP::multifit::FittingSolutionRecords
1259 return _IMP_multifit.get_close_to_point(*args)
1261 """Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class"""
1262 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1263 def __init__(self, *args):
1264 """__init__(IMP::multifit::ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1265 this = _IMP_multifit.new_ProbabilisticAnchorGraph(*args)
1266 try: self.this.append(this)
1267 except: self.this = this
1268 def add_edge(self, *args):
1269 """add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1270 return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, *args)
1272 def set_particle_probabilities_on_anchors(self, *args):
1273 """set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1274 return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, *args)
1276 def show(self, *args):
1278 show(ProbabilisticAnchorGraph self, _ostream out=std::cout)
1279 show(ProbabilisticAnchorGraph self)
1281 return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1283 def get_number_of_anchors(self):
1284 """get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1285 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1287 def get_number_of_edges(self):
1288 """get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1289 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1291 def get_edge_list(self):
1292 """get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1293 return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1295 def get_anchors(self):
1296 """get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1297 return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1299 def get_particle_anchors(self, *args):
1301 get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds
1302 get_particle_anchors(ProbabilisticAnchorGraph self, Particle p) -> IMP::algebra::Vector3Ds
1304 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, *args)
1306 def get_are_probabilities_for_particle_set(self, *args):
1307 """get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1308 return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, *args)
1310 def get_particle_probabilities(self, *args):
1311 """get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1312 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, *args)
1314 def get_version_info(self):
1315 """get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1316 return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1319 """__str__(ProbabilisticAnchorGraph self) -> std::string"""
1320 return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1323 """__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1324 return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1327 return _object_cast_to_ProbabilisticAnchorGraph(o)
1328 get_from = staticmethod(get_from)
1330 ProbabilisticAnchorGraph_swigregister = _IMP_multifit.ProbabilisticAnchorGraph_swigregister
1331 ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1333 class ProteinRecordData(object):
1334 """Proxy of C++ IMP::multifit::ProteinRecordData class"""
1335 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1336 def reset_all(self):
1337 """reset_all(ProteinRecordData self)"""
1338 return _IMP_multifit.ProteinRecordData_reset_all(self)
1340 def __init__(self, *args):
1342 __init__(IMP::multifit::ProteinRecordData self) -> ProteinRecordData
1343 __init__(IMP::multifit::ProteinRecordData self, std::string const & name) -> ProteinRecordData
1344 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1345 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1346 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn,
1347 std::string const & ref_fn) -> ProteinRecordData
1349 this = _IMP_multifit.new_ProteinRecordData(*args)
1350 try: self.this.append(this)
1351 except: self.this = this
1352 def show(self, *args):
1354 show(ProteinRecordData self, _ostream out=std::cout)
1355 show(ProteinRecordData self)
1357 return _IMP_multifit.ProteinRecordData_show(self, *args)
1359 name_ = _swig_property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set)
1360 start_res_ = _swig_property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set)
1361 end_res_ = _swig_property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set)
1362 filename_ = _swig_property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set)
1363 surface_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set)
1364 ref_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set)
1366 """__str__(ProteinRecordData self) -> std::string"""
1367 return _IMP_multifit.ProteinRecordData___str__(self)
1370 """__repr__(ProteinRecordData self) -> std::string"""
1371 return _IMP_multifit.ProteinRecordData___repr__(self)
1373 __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1374 __del__ =
lambda self :
None;
1375 ProteinRecordData_swigregister = _IMP_multifit.ProteinRecordData_swigregister
1376 ProteinRecordData_swigregister(ProteinRecordData)
1379 """Proxy of C++ IMP::multifit::ProteomicsData class"""
1380 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1382 """__init__(IMP::multifit::ProteomicsData self) -> ProteomicsData"""
1383 this = _IMP_multifit.new_ProteomicsData()
1384 try: self.this.append(this)
1385 except: self.this = this
1386 def add_protein(self, *args):
1388 add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn,
1389 std::string const & ref_fn) -> int
1390 add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1392 return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1394 def find(self, *args):
1395 """find(ProteomicsData self, std::string const & name) -> int"""
1396 return _IMP_multifit.ProteomicsData_find(self, *args)
1398 def add_interaction(self, *args):
1399 """add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1400 return _IMP_multifit.ProteomicsData_add_interaction(self, *args)
1402 def add_cross_link_interaction(self, *args):
1404 add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter,
1405 IMP::Float linker_len)
1407 return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, *args)
1409 def add_ev_pair(self, *args):
1410 """add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1411 return _IMP_multifit.ProteomicsData_add_ev_pair(self, *args)
1413 def get_number_of_proteins(self):
1414 """get_number_of_proteins(ProteomicsData self) -> int"""
1415 return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1417 def get_number_of_interactions(self):
1418 """get_number_of_interactions(ProteomicsData self) -> int"""
1419 return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1421 def get_interaction(self, *args):
1422 """get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1423 return _IMP_multifit.ProteomicsData_get_interaction(self, *args)
1425 def get_interaction_part_of_filter(self, *args):
1426 """get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1427 return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, *args)
1429 def get_interaction_linker_length(self, *args):
1430 """get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1431 return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, *args)
1433 def get_number_of_cross_links(self):
1434 """get_number_of_cross_links(ProteomicsData self) -> int"""
1435 return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1437 def get_cross_link(self, *args):
1438 """get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1439 return _IMP_multifit.ProteomicsData_get_cross_link(self, *args)
1441 def get_cross_link_part_of_filter(self, *args):
1442 """get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1443 return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, *args)
1445 def get_cross_link_length(self, *args):
1446 """get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1447 return _IMP_multifit.ProteomicsData_get_cross_link_length(self, *args)
1449 def get_number_of_ev_pairs(self):
1450 """get_number_of_ev_pairs(ProteomicsData self) -> int"""
1451 return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1453 def get_ev_pair(self, *args):
1454 """get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1455 return _IMP_multifit.ProteomicsData_get_ev_pair(self, *args)
1457 def get_protein_name(self, *args):
1458 """get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1459 return _IMP_multifit.ProteomicsData_get_protein_name(self, *args)
1461 def get_end_res(self, *args):
1462 """get_end_res(ProteomicsData self, int protein_ind) -> int"""
1463 return _IMP_multifit.ProteomicsData_get_end_res(self, *args)
1465 def get_start_res(self, *args):
1466 """get_start_res(ProteomicsData self, int protein_ind) -> int"""
1467 return _IMP_multifit.ProteomicsData_get_start_res(self, *args)
1469 def get_protein_filename(self, *args):
1470 """get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1471 return _IMP_multifit.ProteomicsData_get_protein_filename(self, *args)
1473 def get_reference_filename(self, *args):
1474 """get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1475 return _IMP_multifit.ProteomicsData_get_reference_filename(self, *args)
1477 def get_surface_filename(self, *args):
1478 """get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1479 return _IMP_multifit.ProteomicsData_get_surface_filename(self, *args)
1481 def get_protein_data(self, *args):
1482 """get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1483 return _IMP_multifit.ProteomicsData_get_protein_data(self, *args)
1485 def get_version_info(self):
1486 """get_version_info(ProteomicsData self) -> VersionInfo"""
1487 return _IMP_multifit.ProteomicsData_get_version_info(self)
1489 def get_num_allowed_violated_interactions(self):
1490 """get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1491 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1493 def set_num_allowed_violated_interactions(self, *args):
1494 """set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1495 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, *args)
1497 def get_num_allowed_violated_cross_links(self):
1498 """get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1499 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1501 def set_num_allowed_violated_cross_links(self, *args):
1502 """set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1503 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, *args)
1505 def get_num_allowed_violated_ev(self):
1506 """get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1507 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1509 def set_num_allowed_violated_ev(self, *args):
1510 """set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1511 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, *args)
1514 """__str__(ProteomicsData self) -> std::string"""
1515 return _IMP_multifit.ProteomicsData___str__(self)
1518 """__repr__(ProteomicsData self) -> std::string"""
1519 return _IMP_multifit.ProteomicsData___repr__(self)
1522 return _object_cast_to_ProteomicsData(o)
1523 get_from = staticmethod(get_from)
1525 ProteomicsData_swigregister = _IMP_multifit.ProteomicsData_swigregister
1526 ProteomicsData_swigregister(ProteomicsData)
1530 """read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1531 return _IMP_multifit.read_proteomics_data(*args)
1533 def get_partial_proteomics_data(*args):
1534 """get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1535 return _IMP_multifit.get_partial_proteomics_data(*args)
1536 class AnchorsData(object):
1537 """Proxy of C++ IMP::multifit::AnchorsData class"""
1538 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1539 def __init__(self, *args):
1541 __init__(IMP::multifit::AnchorsData self) -> AnchorsData
1542 __init__(IMP::multifit::AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1544 this = _IMP_multifit.new_AnchorsData(*args)
1545 try: self.this.append(this)
1546 except: self.this = this
1547 def remove_edges_for_node(self, *args):
1548 """remove_edges_for_node(AnchorsData self, int node_ind)"""
1549 return _IMP_multifit.AnchorsData_remove_edges_for_node(self, *args)
1551 def get_number_of_points(self):
1552 """get_number_of_points(AnchorsData self) -> int"""
1553 return _IMP_multifit.AnchorsData_get_number_of_points(self)
1555 def get_number_of_edges(self):
1556 """get_number_of_edges(AnchorsData self) -> int"""
1557 return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1559 def get_is_point_considered(self, *args):
1560 """get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1561 return _IMP_multifit.AnchorsData_get_is_point_considered(self, *args)
1563 def show(self, *args):
1565 show(AnchorsData self, _ostream out=std::cout)
1566 show(AnchorsData self)
1568 return _IMP_multifit.AnchorsData_show(self, *args)
1570 def get_secondary_structure_is_set(self):
1571 """get_secondary_structure_is_set(AnchorsData self) -> bool"""
1572 return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1574 def setup_secondary_structure(self, *args):
1575 """setup_secondary_structure(AnchorsData self, Model mdl)"""
1576 return _IMP_multifit.AnchorsData_setup_secondary_structure(self, *args)
1578 def set_secondary_structure_probabilities(self, *args):
1580 set_secondary_structure_probabilities(AnchorsData self, IMP::kernel::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())
1581 set_secondary_structure_probabilities(AnchorsData self, IMP::kernel::Particles const & ssres_ps)
1583 return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1585 def get_secondary_structure_particles(self):
1586 """get_secondary_structure_particles(AnchorsData self) -> IMP::kernel::Particles"""
1587 return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1589 points_ = _swig_property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set)
1590 consider_point_ = _swig_property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set)
1591 edges_ = _swig_property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set)
1593 """__str__(AnchorsData self) -> std::string"""
1594 return _IMP_multifit.AnchorsData___str__(self)
1597 """__repr__(AnchorsData self) -> std::string"""
1598 return _IMP_multifit.AnchorsData___repr__(self)
1600 __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1601 __del__ =
lambda self :
None;
1602 AnchorsData_swigregister = _IMP_multifit.AnchorsData_swigregister
1603 AnchorsData_swigregister(AnchorsData)
1606 def read_anchors_data(*args):
1607 """read_anchors_data(char const * txt_filename) -> AnchorsData"""
1608 return _IMP_multifit.read_anchors_data(*args)
1610 def write_txt(*args):
1611 """write_txt(std::string const & txt_filename, AnchorsData ad)"""
1612 return _IMP_multifit.write_txt(*args)
1614 def write_cmm(*args):
1615 """write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1616 return _IMP_multifit.write_cmm(*args)
1620 create_coarse_molecule_from_molecule(Hierarchy mh, int num_beads, Model mdl, float bead_radius, bool add_conn_restraint=False) -> Hierarchy
1621 create_coarse_molecule_from_molecule(Hierarchy mh, int num_beads, Model mdl, float bead_radius) -> Hierarchy
1623 return _IMP_multifit.create_coarse_molecule_from_molecule(*args)
1627 create_coarse_molecules_from_molecules(IMP::atom::Hierarchies const & mhs, int frag_len, Model mdl, float bead_radius, bool add_conn_restraint=False) -> IMP::atom::Hierarchies
1628 create_coarse_molecules_from_molecules(IMP::atom::Hierarchies const & mhs, int frag_len, Model mdl, float bead_radius) -> IMP::atom::Hierarchies
1630 return _IMP_multifit.create_coarse_molecules_from_molecules(*args)
1633 """create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1634 return _IMP_multifit.create_coarse_molecule_from_density(*args)
1636 def create_hit_map(*args):
1638 create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols,
1639 DensityMap damp) -> DensityMap
1641 return _IMP_multifit.create_hit_map(*args)
1644 """get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1645 return _IMP_multifit.get_points_close_to_molecule(*args)
1647 def get_points_far_from_molecule(*args):
1648 """get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1649 return _IMP_multifit.get_points_far_from_molecule(*args)
1651 """Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class"""
1652 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1653 def __init__(self, *args):
1655 __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::kernel::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint
1656 __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::kernel::Particles ps, int num_residues) -> RadiusOfGyrationRestraint
1658 this = _IMP_multifit.new_RadiusOfGyrationRestraint(*args)
1659 try: self.this.append(this)
1660 except: self.this = this
1661 def do_get_inputs(self):
1662 """do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1663 return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1665 def get_version_info(self):
1666 """get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1667 return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1669 def set_radius_of_gyration(self, *args):
1670 """set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1671 return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, *args)
1674 """get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1675 return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1678 """__str__(RadiusOfGyrationRestraint self) -> std::string"""
1679 return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1682 """__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1683 return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1686 return _object_cast_to_RadiusOfGyrationRestraint(o)
1687 get_from = staticmethod(get_from)
1689 RadiusOfGyrationRestraint_swigregister = _IMP_multifit.RadiusOfGyrationRestraint_swigregister
1690 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1693 def get_approximated_radius_of_gyration(*args):
1694 """get_approximated_radius_of_gyration(int len) -> float"""
1695 return _IMP_multifit.get_approximated_radius_of_gyration(*args)
1697 def get_actual_radius_of_gyration(*args):
1698 """get_actual_radius_of_gyration(IMP::kernel::ParticlesTemp ps) -> float"""
1699 return _IMP_multifit.get_actual_radius_of_gyration(*args)
1701 def get_approximated_radius(*args):
1702 """get_approximated_radius(int len) -> float"""
1703 return _IMP_multifit.get_approximated_radius(*args)
1704 class ProteinsAnchorsSamplingSpace(object):
1705 """Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class"""
1706 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1707 def __init__(self, prots=None):
1709 __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace
1710 __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self) -> ProteinsAnchorsSamplingSpace
1712 this = _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots)
1713 try: self.this.append(this)
1714 except: self.this = this
1715 def set_anchors(self, *args):
1716 """set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1717 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, *args)
1719 def get_anchors(self):
1720 """get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1721 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1723 def get_anchors_filename(self):
1724 """get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1725 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1727 def set_anchors_filename(self, *args):
1728 """set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1729 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, *args)
1731 def get_proteomics_data(self):
1732 """get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1733 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1735 def add_protein(self, *args):
1736 """add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1737 return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, *args)
1739 def get_paths_for_protein(self, *args):
1740 """get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1741 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, *args)
1743 def set_paths_filename_for_protein(self, *args):
1744 """set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1745 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, *args)
1747 def get_paths_filename_for_protein(self, *args):
1748 """get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1749 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, *args)
1751 def set_paths_for_protein(self, *args):
1752 """set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1753 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, *args)
1755 def show(self, *args):
1757 show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)
1758 show(ProteinsAnchorsSamplingSpace self)
1760 return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1763 """__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1764 return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1767 """__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1768 return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1770 __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1771 __del__ =
lambda self :
None;
1772 ProteinsAnchorsSamplingSpace_swigregister = _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister
1773 ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1776 def read_protein_anchors_mapping(*args):
1778 read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace
1779 read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn) -> ProteinsAnchorsSamplingSpace
1781 return _IMP_multifit.read_protein_anchors_mapping(*args)
1783 def write_protein_anchors_mapping(*args):
1785 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)
1786 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1788 return _IMP_multifit.write_protein_anchors_mapping(*args)
1791 """get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1792 return _IMP_multifit.get_part_of_sampling_space(*args)
1795 """get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1796 return _IMP_multifit.get_partial_assembly_setting_data(*args)
1800 read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList
1801 read_paths(char const * txt_filename) -> IMP::IntsList
1803 return _IMP_multifit.read_paths(*args)
1805 def write_paths(*args):
1806 """write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1807 return _IMP_multifit.write_paths(*args)
1809 def molecule2anchors(*args):
1810 """molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
1811 return _IMP_multifit.molecule2anchors(*args)
1815 get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename,
1816 std::string cmm_filename, std::string seg_filename, std::string txt_filename)
1818 return _IMP_multifit.get_anchors_for_density(*args)
1822 get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList
1823 get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs) -> IMP::IntsList
1825 return _IMP_multifit.get_anchor_indices_matching_secondary_structure(*args)
1826 class DominoParams(object):
1827 """Proxy of C++ IMP::multifit::DominoParams class"""
1828 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1830 """__init__(IMP::multifit::DominoParams self) -> DominoParams"""
1831 this = _IMP_multifit.new_DominoParams()
1832 try: self.this.append(this)
1833 except: self.this = this
1834 def add(self, *args):
1835 """add(DominoParams self, boost::property_tree::ptree const & pt)"""
1836 return _IMP_multifit.DominoParams_add(self, *args)
1838 def show(self, *args):
1840 show(DominoParams self, _ostream s=std::cout)
1841 show(DominoParams self)
1843 return _IMP_multifit.DominoParams_show(self, *args)
1845 max_value_threshold_ = _swig_property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set)
1846 max_num_states_for_subset_ = _swig_property(_IMP_multifit.DominoParams_max_num_states_for_subset__get, _IMP_multifit.DominoParams_max_num_states_for_subset__set)
1847 max_anchor_penetration_ = _swig_property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set)
1848 heap_size_ = _swig_property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set)
1849 cache_size_ = _swig_property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set)
1851 """__str__(DominoParams self) -> std::string"""
1852 return _IMP_multifit.DominoParams___str__(self)
1855 """__repr__(DominoParams self) -> std::string"""
1856 return _IMP_multifit.DominoParams___repr__(self)
1858 __swig_destroy__ = _IMP_multifit.delete_DominoParams
1859 __del__ =
lambda self :
None;
1860 DominoParams_swigregister = _IMP_multifit.DominoParams_swigregister
1861 DominoParams_swigregister(DominoParams)
1863 class XlinkParams(object):
1864 """Proxy of C++ IMP::multifit::XlinkParams class"""
1865 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1867 """__init__(IMP::multifit::XlinkParams self) -> XlinkParams"""
1868 this = _IMP_multifit.new_XlinkParams()
1869 try: self.this.append(this)
1870 except: self.this = this
1871 def add(self, *args):
1872 """add(XlinkParams self, boost::property_tree::ptree const & pt)"""
1873 return _IMP_multifit.XlinkParams_add(self, *args)
1875 def show(self, *args):
1877 show(XlinkParams self, _ostream s=std::cout)
1878 show(XlinkParams self)
1880 return _IMP_multifit.XlinkParams_show(self, *args)
1882 upper_bound_ = _swig_property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set)
1883 k_ = _swig_property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set)
1884 max_xlink_val_ = _swig_property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set)
1885 treat_between_residues_ = _swig_property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set)
1887 """__str__(XlinkParams self) -> std::string"""
1888 return _IMP_multifit.XlinkParams___str__(self)
1891 """__repr__(XlinkParams self) -> std::string"""
1892 return _IMP_multifit.XlinkParams___repr__(self)
1894 __swig_destroy__ = _IMP_multifit.delete_XlinkParams
1895 __del__ =
lambda self :
None;
1896 XlinkParams_swigregister = _IMP_multifit.XlinkParams_swigregister
1897 XlinkParams_swigregister(XlinkParams)
1899 class ConnectivityParams(object):
1900 """Proxy of C++ IMP::multifit::ConnectivityParams class"""
1901 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1903 """__init__(IMP::multifit::ConnectivityParams self) -> ConnectivityParams"""
1904 this = _IMP_multifit.new_ConnectivityParams()
1905 try: self.this.append(this)
1906 except: self.this = this
1907 def add(self, *args):
1908 """add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
1909 return _IMP_multifit.ConnectivityParams_add(self, *args)
1911 def show(self, *args):
1913 show(ConnectivityParams self, _ostream s=std::cout)
1914 show(ConnectivityParams self)
1916 return _IMP_multifit.ConnectivityParams_show(self, *args)
1918 upper_bound_ = _swig_property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set)
1919 k_ = _swig_property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set)
1920 max_conn_rest_val_ = _swig_property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set)
1922 """__str__(ConnectivityParams self) -> std::string"""
1923 return _IMP_multifit.ConnectivityParams___str__(self)
1926 """__repr__(ConnectivityParams self) -> std::string"""
1927 return _IMP_multifit.ConnectivityParams___repr__(self)
1929 __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
1930 __del__ =
lambda self :
None;
1931 ConnectivityParams_swigregister = _IMP_multifit.ConnectivityParams_swigregister
1932 ConnectivityParams_swigregister(ConnectivityParams)
1934 class FragmentsParams(object):
1935 """Proxy of C++ IMP::multifit::FragmentsParams class"""
1936 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1938 """__init__(IMP::multifit::FragmentsParams self) -> FragmentsParams"""
1939 this = _IMP_multifit.new_FragmentsParams()
1940 try: self.this.append(this)
1941 except: self.this = this
1942 def add(self, *args):
1943 """add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
1944 return _IMP_multifit.FragmentsParams_add(self, *args)
1946 def show(self, *args):
1948 show(FragmentsParams self, _ostream s=std::cout)
1949 show(FragmentsParams self)
1951 return _IMP_multifit.FragmentsParams_show(self, *args)
1953 frag_len_ = _swig_property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set)
1954 bead_radius_scale_ = _swig_property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set)
1955 load_atomic_ = _swig_property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set)
1956 subunit_rigid_ = _swig_property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set)
1958 """__str__(FragmentsParams self) -> std::string"""
1959 return _IMP_multifit.FragmentsParams___str__(self)
1962 """__repr__(FragmentsParams self) -> std::string"""
1963 return _IMP_multifit.FragmentsParams___repr__(self)
1965 __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
1966 __del__ =
lambda self :
None;
1967 FragmentsParams_swigregister = _IMP_multifit.FragmentsParams_swigregister
1968 FragmentsParams_swigregister(FragmentsParams)
1970 class RogParams(object):
1971 """Proxy of C++ IMP::multifit::RogParams class"""
1972 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1974 """__init__(IMP::multifit::RogParams self) -> RogParams"""
1975 this = _IMP_multifit.new_RogParams()
1976 try: self.this.append(this)
1977 except: self.this = this
1978 def add(self, *args):
1979 """add(RogParams self, boost::property_tree::ptree const & pt)"""
1980 return _IMP_multifit.RogParams_add(self, *args)
1982 def get_max_score(self):
1983 """get_max_score(RogParams self) -> float"""
1984 return _IMP_multifit.RogParams_get_max_score(self)
1986 def get_scale(self):
1987 """get_scale(RogParams self) -> float"""
1988 return _IMP_multifit.RogParams_get_scale(self)
1990 def show(self, *args):
1992 show(RogParams self, _ostream s=std::cout)
1993 show(RogParams self)
1995 return _IMP_multifit.RogParams_show(self, *args)
1998 """__str__(RogParams self) -> std::string"""
1999 return _IMP_multifit.RogParams___str__(self)
2002 """__repr__(RogParams self) -> std::string"""
2003 return _IMP_multifit.RogParams___repr__(self)
2005 __swig_destroy__ = _IMP_multifit.delete_RogParams
2006 __del__ =
lambda self :
None;
2007 RogParams_swigregister = _IMP_multifit.RogParams_swigregister
2008 RogParams_swigregister(RogParams)
2010 class EVParams(object):
2011 """Proxy of C++ IMP::multifit::EVParams class"""
2012 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2014 """__init__(IMP::multifit::EVParams self) -> EVParams"""
2015 this = _IMP_multifit.new_EVParams()
2016 try: self.this.append(this)
2017 except: self.this = this
2018 def add(self, *args):
2019 """add(EVParams self, boost::property_tree::ptree const & pt)"""
2020 return _IMP_multifit.EVParams_add(self, *args)
2022 def show(self, *args):
2024 show(EVParams self, _ostream s=std::cout)
2027 return _IMP_multifit.EVParams_show(self, *args)
2029 pair_distance_ = _swig_property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set)
2030 pair_slack_ = _swig_property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set)
2031 hlb_mean_ = _swig_property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set)
2032 hlb_k_ = _swig_property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set)
2033 maximum_ev_score_for_pair_ = _swig_property(_IMP_multifit.EVParams_maximum_ev_score_for_pair__get, _IMP_multifit.EVParams_maximum_ev_score_for_pair__set)
2034 allowed_percentage_of_bad_pairs_ = _swig_property(_IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__get, _IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__set)
2035 scoring_mode_ = _swig_property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set)
2037 """__str__(EVParams self) -> std::string"""
2038 return _IMP_multifit.EVParams___str__(self)
2041 """__repr__(EVParams self) -> std::string"""
2042 return _IMP_multifit.EVParams___repr__(self)
2044 __swig_destroy__ = _IMP_multifit.delete_EVParams
2045 __del__ =
lambda self :
None;
2046 EVParams_swigregister = _IMP_multifit.EVParams_swigregister
2047 EVParams_swigregister(EVParams)
2049 class FiltersParams(object):
2050 """Proxy of C++ IMP::multifit::FiltersParams class"""
2051 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2053 """__init__(IMP::multifit::FiltersParams self) -> FiltersParams"""
2054 this = _IMP_multifit.new_FiltersParams()
2055 try: self.this.append(this)
2056 except: self.this = this
2057 def add(self, *args):
2058 """add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2059 return _IMP_multifit.FiltersParams_add(self, *args)
2061 def show(self, *args):
2063 show(FiltersParams self, _ostream s=std::cout)
2064 show(FiltersParams self)
2066 return _IMP_multifit.FiltersParams_show(self, *args)
2068 max_num_violated_xlink_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set)
2069 max_num_violated_conn_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set)
2070 max_num_violated_ev_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set)
2072 """__str__(FiltersParams self) -> std::string"""
2073 return _IMP_multifit.FiltersParams___str__(self)
2076 """__repr__(FiltersParams self) -> std::string"""
2077 return _IMP_multifit.FiltersParams___repr__(self)
2079 __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2080 __del__ =
lambda self :
None;
2081 FiltersParams_swigregister = _IMP_multifit.FiltersParams_swigregister
2082 FiltersParams_swigregister(FiltersParams)
2084 class FittingParams(object):
2085 """Proxy of C++ IMP::multifit::FittingParams class"""
2086 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2088 """__init__(IMP::multifit::FittingParams self) -> FittingParams"""
2089 this = _IMP_multifit.new_FittingParams()
2090 try: self.this.append(this)
2091 except: self.this = this
2092 def add(self, *args):
2093 """add(FittingParams self, boost::property_tree::ptree const & pt)"""
2094 return _IMP_multifit.FittingParams_add(self, *args)
2096 def show(self, *args):
2098 show(FittingParams self, _ostream s=std::cout)
2099 show(FittingParams self)
2101 return _IMP_multifit.FittingParams_show(self, *args)
2103 pca_max_angle_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set)
2104 pca_max_size_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set)
2105 pca_max_cent_dist_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_cent_dist_diff__get, _IMP_multifit.FittingParams_pca_max_cent_dist_diff__set)
2106 max_asmb_fit_score_ = _swig_property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set)
2108 """__str__(FittingParams self) -> std::string"""
2109 return _IMP_multifit.FittingParams___str__(self)
2112 """__repr__(FittingParams self) -> std::string"""
2113 return _IMP_multifit.FittingParams___repr__(self)
2115 __swig_destroy__ = _IMP_multifit.delete_FittingParams
2116 __del__ =
lambda self :
None;
2117 FittingParams_swigregister = _IMP_multifit.FittingParams_swigregister
2118 FittingParams_swigregister(FittingParams)
2120 class ComplementarityParams(object):
2121 """Proxy of C++ IMP::multifit::ComplementarityParams class"""
2122 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2124 """__init__(IMP::multifit::ComplementarityParams self) -> ComplementarityParams"""
2125 this = _IMP_multifit.new_ComplementarityParams()
2126 try: self.this.append(this)
2127 except: self.this = this
2128 def add(self, *args):
2129 """add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2130 return _IMP_multifit.ComplementarityParams_add(self, *args)
2132 def show(self, *args):
2134 show(ComplementarityParams self, _ostream s=std::cout)
2135 show(ComplementarityParams self)
2137 return _IMP_multifit.ComplementarityParams_show(self, *args)
2139 max_score_ = _swig_property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set)
2140 max_penetration_ = _swig_property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set)
2141 interior_layer_thickness_ = _swig_property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set)
2142 boundary_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set)
2143 comp_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set)
2144 penetration_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set)
2146 """__str__(ComplementarityParams self) -> std::string"""
2147 return _IMP_multifit.ComplementarityParams___str__(self)
2150 """__repr__(ComplementarityParams self) -> std::string"""
2151 return _IMP_multifit.ComplementarityParams___repr__(self)
2153 __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2154 __del__ =
lambda self :
None;
2155 ComplementarityParams_swigregister = _IMP_multifit.ComplementarityParams_swigregister
2156 ComplementarityParams_swigregister(ComplementarityParams)
2158 class AlignmentParams(object):
2159 """Proxy of C++ IMP::multifit::AlignmentParams class"""
2160 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2161 def __init__(self, *args):
2162 """__init__(IMP::multifit::AlignmentParams self, char const * param_filename) -> AlignmentParams"""
2163 this = _IMP_multifit.new_AlignmentParams(*args)
2164 try: self.this.append(this)
2165 except: self.this = this
2166 def get_domino_params(self):
2167 """get_domino_params(AlignmentParams self) -> DominoParams"""
2168 return _IMP_multifit.AlignmentParams_get_domino_params(self)
2170 def get_fitting_params(self):
2171 """get_fitting_params(AlignmentParams self) -> FittingParams"""
2172 return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2174 def get_complementarity_params(self):
2175 """get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2176 return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2178 def get_xlink_params(self):
2179 """get_xlink_params(AlignmentParams self) -> XlinkParams"""
2180 return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2182 def get_connectivity_params(self):
2183 """get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2184 return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2186 def get_rog_params(self):
2187 """get_rog_params(AlignmentParams self) -> RogParams"""
2188 return _IMP_multifit.AlignmentParams_get_rog_params(self)
2190 def get_fragments_params(self):
2191 """get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2192 return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2194 def get_filters_params(self):
2195 """get_filters_params(AlignmentParams self) -> FiltersParams"""
2196 return _IMP_multifit.AlignmentParams_get_filters_params(self)
2198 def get_ev_params(self):
2199 """get_ev_params(AlignmentParams self) -> EVParams"""
2200 return _IMP_multifit.AlignmentParams_get_ev_params(self)
2202 def show(self, *args):
2204 show(AlignmentParams self, _ostream s=std::cout)
2205 show(AlignmentParams self)
2207 return _IMP_multifit.AlignmentParams_show(self, *args)
2210 """__str__(AlignmentParams self) -> std::string"""
2211 return _IMP_multifit.AlignmentParams___str__(self)
2214 """__repr__(AlignmentParams self) -> std::string"""
2215 return _IMP_multifit.AlignmentParams___repr__(self)
2217 __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2218 __del__ =
lambda self :
None;
2219 AlignmentParams_swigregister = _IMP_multifit.AlignmentParams_swigregister
2220 AlignmentParams_swigregister(AlignmentParams)
2223 """Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class"""
2224 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2225 def __init__(self, *args):
2226 """__init__(IMP::multifit::ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2227 this = _IMP_multifit.new_ProteomicsEMAlignmentAtomic(*args)
2228 try: self.this.append(this)
2229 except: self.this = this
2231 """align(ProteomicsEMAlignmentAtomic self)"""
2232 return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2234 def add_all_restraints(self):
2235 """add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2236 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2238 def add_states_and_filters(self):
2239 """add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2240 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2242 def show_domino_merge_tree(self):
2243 """show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2244 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2246 def get_combinations(self, uniques=False):
2248 get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments
2249 get_combinations(ProteomicsEMAlignmentAtomic self) -> IMP::domino::Assignments
2251 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2253 def set_density_map(self, *args):
2254 """set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2255 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, *args)
2257 def get_molecules(self):
2258 """get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2259 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2261 def get_rigid_bodies(self):
2262 """get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2263 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2265 def load_combination_of_states(self, *args):
2266 """load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2267 return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, *args)
2269 def show_scores_header(self, *args):
2271 show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)
2272 show_scores_header(ProteomicsEMAlignmentAtomic self)
2274 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2276 def get_model(self):
2277 """get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2278 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2280 def set_fast_scoring(self, *args):
2281 """set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2282 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, *args)
2284 def get_version_info(self):
2285 """get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2286 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2289 """__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2290 return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2293 """__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2294 return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2297 return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2298 get_from = staticmethod(get_from)
2300 ProteomicsEMAlignmentAtomic_swigregister = _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister
2301 ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2305 """write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2306 return _IMP_multifit.write_connolly_surface(*args)
2308 """Proxy of C++ IMP::multifit::Ensemble class"""
2309 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2310 def load_combination(self, *args):
2311 """load_combination(Ensemble self, IMP::Ints fit_comb)"""
2312 return _IMP_multifit.Ensemble_load_combination(self, *args)
2314 def unload_combination(self, *args):
2315 """unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2316 return _IMP_multifit.Ensemble_unload_combination(self, *args)
2318 def add_component_and_fits(self, *args):
2319 """add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2320 return _IMP_multifit.Ensemble_add_component_and_fits(self, *args)
2322 def get_molecules(self):
2323 """get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2324 return _IMP_multifit.Ensemble_get_molecules(self)
2326 def get_rigid_bodies(self):
2327 """get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2328 return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2331 """get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2332 return _IMP_multifit.Ensemble_get_rmsd(self, *args)
2334 def __init__(self, *args):
2335 """__init__(IMP::multifit::Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2336 this = _IMP_multifit.new_Ensemble(*args)
2337 try: self.this.append(this)
2338 except: self.this = this
2339 def score_by_restraints(self, *args):
2340 """score_by_restraints(Ensemble self, IMP::kernel::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2341 return _IMP_multifit.Ensemble_score_by_restraints(self, *args)
2343 def get_version_info(self):
2344 """get_version_info(Ensemble self) -> VersionInfo"""
2345 return _IMP_multifit.Ensemble_get_version_info(self)
2348 """__str__(Ensemble self) -> std::string"""
2349 return _IMP_multifit.Ensemble___str__(self)
2352 """__repr__(Ensemble self) -> std::string"""
2353 return _IMP_multifit.Ensemble___repr__(self)
2356 return _object_cast_to_Ensemble(o)
2357 get_from = staticmethod(get_from)
2359 Ensemble_swigregister = _IMP_multifit.Ensemble_swigregister
2360 Ensemble_swigregister(Ensemble)
2363 def load_ensemble(*args):
2364 """load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2365 return _IMP_multifit.load_ensemble(*args)
2366 _all_commands = [
"param",
"anchors",
"fit_fft",
"cluster",
"add_fit_rmsd",
2367 "indexes",
"proteomics",
"align",
"models",
"transforms",
2368 "score",
"merge_tree",
"reference",
"refine_fft",
"segment"]
2371 def get_module_version():
2372 """get_module_version() -> std::string const"""
2373 return _IMP_multifit.get_module_version()
2376 """get_example_path(std::string fname) -> std::string"""
2377 return _IMP_multifit.get_example_path(*args)
2380 """get_data_path(std::string fname) -> std::string"""
2381 return _IMP_multifit.get_data_path(*args)
2382 from .
import _version_check
2383 _version_check.check_version(get_module_version())
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.
Ints get_index(const kernel::ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
atom::Hierarchy create_coarse_molecule_from_density(em::DensityMap *dmap, float dens_threshold, int num_beads, kernel::Model *mdl, float bead_radius)
Coarsen a density map based on voxels clustering.
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.
double get_resolution(kernel::Model *m, kernel::ParticleIndex pi)
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
Low level functionality (logging, error handling, profiling, command line flags etc) that is used by ...
std::string get_data_path(std::string file_name)
Return the full path to installed data.
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.
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.
void write_connolly_surface(atom::Atoms atoms, base::TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
Base functionality and abstract base classes for representation, scoring and sampling.
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)
A restraint is a term in an IMP ScoringFunction.
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.
Common base class for heavy weight IMP objects.
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.
atom::Hierarchy create_coarse_molecule_from_molecule(const atom::Hierarchy &mh, int num_beads, kernel::Model *mdl, float bead_radius, bool add_conn_restraint=false)
Coarsen a molecule based on atom clustering.
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...
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::kernel::Particle *ap, Float dist)
prune solutions by distance to an anchor point
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.
void show(Hierarchy h, std::ostream &out=std::cout)
Print out a molecular hierarchy.
atom::Hierarchies create_coarse_molecules_from_molecules(const atom::Hierarchies &mhs, int frag_len, kernel::Model *mdl, float bead_radius, bool add_conn_restraint=false)
Coarsen molecules based on atom clustering.
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.