10 from __future__
import print_function, division, absolute_import
15 from sys
import version_info
16 if version_info >= (2, 6, 0):
17 def swig_import_helper():
18 from os.path
import dirname
22 fp, pathname, description = imp.find_module(
'_IMP_multifit', [dirname(__file__)])
28 _mod = imp.load_module(
'_IMP_multifit', fp, pathname, description)
32 _IMP_multifit = swig_import_helper()
33 del swig_import_helper
38 _swig_property = property
43 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
44 if (name ==
"thisown"):
45 return self.this.own(value)
47 if type(value).__name__ ==
'SwigPyObject':
48 self.__dict__[name] = value
50 method = class_type.__swig_setmethods__.get(name,
None)
52 return method(self, value)
54 object.__setattr__(self, name, value)
56 raise AttributeError(
"You cannot add attributes to %s" % self)
59 def _swig_setattr(self, class_type, name, value):
60 return _swig_setattr_nondynamic(self, class_type, name, value, 0)
63 def _swig_getattr_nondynamic(self, class_type, name, static=1):
64 if (name ==
"thisown"):
65 return self.this.own()
66 method = class_type.__swig_getmethods__.get(name,
None)
70 return object.__getattr__(self, name)
72 raise AttributeError(name)
74 def _swig_getattr(self, class_type, name):
75 return _swig_getattr_nondynamic(self, class_type, name, 0)
80 strthis =
"proxy of " + self.this.__repr__()
83 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
88 except AttributeError:
95 def _swig_setattr_nondynamic_method(set):
96 def set_attr(self, name, value):
97 if (name ==
"thisown"):
98 return self.this.own(value)
99 if hasattr(self, name)
or (name ==
"this"):
100 set(self, name, value)
102 raise AttributeError(
"You cannot add attributes to %s" % self)
108 weakref_proxy = weakref.proxy
110 weakref_proxy =
lambda x: x
113 class IMP_MULTIFIT_SwigPyIterator(object):
114 """Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class."""
116 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
118 def __init__(self, *args, **kwargs):
119 raise AttributeError(
"No constructor defined - class is abstract")
120 __repr__ = _swig_repr
121 __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
122 __del__ =
lambda self:
None
125 """value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
126 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
131 incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
132 incr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
134 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
139 decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
140 decr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
142 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
145 def distance(self, x):
146 """distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
147 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, x)
151 """equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
152 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, x)
156 """copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
157 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
161 """next(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
162 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_next(self)
166 """__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
167 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
171 """previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
172 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
175 def advance(self, n):
176 """advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
177 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, n)
181 """__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
182 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, x)
186 """__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
187 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, x)
190 def __iadd__(self, n):
191 """__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
192 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, n)
195 def __isub__(self, n):
196 """__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
197 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, n)
200 def __add__(self, n):
201 """__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
202 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, n)
205 def __sub__(self, *args):
207 __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
208 __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
210 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
214 IMP_MULTIFIT_SwigPyIterator_swigregister = _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister
215 IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
224 _IMP_multifit.IMP_DEBUG_swigconstant(_IMP_multifit)
225 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
227 _IMP_multifit.IMP_RELEASE_swigconstant(_IMP_multifit)
228 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
230 _IMP_multifit.IMP_SILENT_swigconstant(_IMP_multifit)
231 IMP_SILENT = _IMP_multifit.IMP_SILENT
233 _IMP_multifit.IMP_PROGRESS_swigconstant(_IMP_multifit)
234 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
236 _IMP_multifit.IMP_TERSE_swigconstant(_IMP_multifit)
237 IMP_TERSE = _IMP_multifit.IMP_TERSE
239 _IMP_multifit.IMP_VERBOSE_swigconstant(_IMP_multifit)
240 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
242 _IMP_multifit.IMP_MEMORY_swigconstant(_IMP_multifit)
243 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
245 _IMP_multifit.IMP_NONE_swigconstant(_IMP_multifit)
246 IMP_NONE = _IMP_multifit.IMP_NONE
248 _IMP_multifit.IMP_USAGE_swigconstant(_IMP_multifit)
249 IMP_USAGE = _IMP_multifit.IMP_USAGE
251 _IMP_multifit.IMP_INTERNAL_swigconstant(_IMP_multifit)
252 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
254 _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_multifit)
255 IMP_KERNEL_HAS_LOG4CXX = _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX
257 _IMP_multifit.IMP_COMPILER_HAS_AUTO_swigconstant(_IMP_multifit)
258 IMP_COMPILER_HAS_AUTO = _IMP_multifit.IMP_COMPILER_HAS_AUTO
260 _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_multifit)
261 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
263 _IMP_multifit.IMP_COMPILER_HAS_UNIQUE_PTR_swigconstant(_IMP_multifit)
264 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_multifit.IMP_COMPILER_HAS_UNIQUE_PTR
266 _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
267 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
269 _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_multifit)
270 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS
272 _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_multifit)
273 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
275 _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_multifit)
276 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
278 _IMP_multifit.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_multifit)
279 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
282 class _DirectorObjects(object):
283 """@internal Simple class to keep references to director objects
284 to prevent premature deletion."""
287 def register(self, obj):
288 """Take a reference to a director object; will only work for
289 refcounted C++ classes"""
290 if hasattr(obj,
'get_ref_count'):
291 self._objects.append(obj)
293 """Only drop our reference and allow cleanup by Python if no other
294 Python references exist (we hold 3 references: one in self._objects,
295 one in x, and one in the argument list for getrefcount) *and* no
296 other C++ references exist (the Python object always holds one)"""
297 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
298 or x.get_ref_count() > 1]
302 def get_object_count(self):
303 """Get number of director objects (useful for testing only)"""
304 return len(self._objects)
305 _director_objects = _DirectorObjects()
307 class _ostream(object):
308 """Proxy of C++ std::ostream class."""
310 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
312 def __init__(self, *args, **kwargs):
313 raise AttributeError(
"No constructor defined")
314 __repr__ = _swig_repr
316 def write(self, osa_buf):
317 """write(_ostream self, char const * osa_buf)"""
318 return _IMP_multifit._ostream_write(self, osa_buf)
320 _ostream_swigregister = _IMP_multifit._ostream_swigregister
321 _ostream_swigregister(_ostream)
324 _IMP_multifit.IMP_COMPILER_HAS_OVERRIDE_swigconstant(_IMP_multifit)
325 IMP_COMPILER_HAS_OVERRIDE = _IMP_multifit.IMP_COMPILER_HAS_OVERRIDE
327 _IMP_multifit.IMP_COMPILER_HAS_FINAL_swigconstant(_IMP_multifit)
328 IMP_COMPILER_HAS_FINAL = _IMP_multifit.IMP_COMPILER_HAS_FINAL
330 _IMP_multifit.IMP_HAS_NOEXCEPT_swigconstant(_IMP_multifit)
331 IMP_HAS_NOEXCEPT = _IMP_multifit.IMP_HAS_NOEXCEPT
334 _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
335 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
337 _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
338 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
340 _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
341 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
343 _IMP_multifit.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
344 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_SYSTEM
346 _IMP_multifit.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_multifit)
347 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
350 _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
351 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
353 _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
354 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
356 _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
357 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
359 _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
360 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
362 _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
363 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_SYSTEM
365 _IMP_multifit.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_multifit)
366 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
368 _IMP_multifit.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_multifit)
369 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
371 _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_multifit)
372 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
375 _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
376 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
378 _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
379 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
381 _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
382 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
384 _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
385 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
387 _IMP_multifit.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
388 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_SYSTEM
390 _IMP_multifit.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_multifit)
391 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
393 _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_multifit)
394 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
397 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
398 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
400 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
401 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
403 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
404 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
406 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
407 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
409 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
410 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
412 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_multifit)
413 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
415 _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_multifit)
416 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
418 _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_multifit)
419 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
422 _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
423 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
425 _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
426 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
428 _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
429 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
431 _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
432 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
434 _IMP_multifit.IMP_STATISTICS_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
435 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_SYSTEM
437 _IMP_multifit.IMP_STATISTICS_HAS_CGAL_swigconstant(_IMP_multifit)
438 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
440 _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS_swigconstant(_IMP_multifit)
441 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
444 _IMP_multifit.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
445 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
447 _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_multifit)
448 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
450 _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
451 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
453 _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
454 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
456 _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
457 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
459 _IMP_multifit.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
460 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_SYSTEM
462 _IMP_multifit.IMP_CORE_HAS_CGAL_swigconstant(_IMP_multifit)
463 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
465 _IMP_multifit.IMP_CORE_HAS_HDF5_swigconstant(_IMP_multifit)
466 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
468 _IMP_multifit.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_multifit)
469 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
472 _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_multifit)
473 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
475 _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
476 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
478 _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_multifit)
479 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
481 _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_multifit)
482 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
484 _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
485 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
487 _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
488 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
490 _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
491 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
493 _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
494 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
496 _IMP_multifit.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
497 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_SYSTEM
499 _IMP_multifit.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_multifit)
500 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
502 _IMP_multifit.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_multifit)
503 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
505 _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_multifit)
506 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
509 _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
510 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
512 _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_multifit)
513 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
515 _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
516 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
518 _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
519 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
521 _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
522 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
524 _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_multifit)
525 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
527 _IMP_multifit.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
528 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ATOM_HAS_BOOST_SYSTEM
530 _IMP_multifit.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_multifit)
531 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
533 _IMP_multifit.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_multifit)
534 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
536 _IMP_multifit.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_multifit)
537 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
539 _IMP_multifit.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_multifit)
540 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
542 _IMP_multifit.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_multifit)
543 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
545 _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_multifit)
546 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
549 _IMP_multifit.IMP_EM_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
550 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
552 _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER_swigconstant(_IMP_multifit)
553 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
555 _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY_swigconstant(_IMP_multifit)
556 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
558 _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
559 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
561 _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
562 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
564 _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
565 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
567 _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
568 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
570 _IMP_multifit.IMP_EM_HAS_BOOST_REGEX_swigconstant(_IMP_multifit)
571 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
573 _IMP_multifit.IMP_EM_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
574 IMP_EM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_SYSTEM
576 _IMP_multifit.IMP_EM_HAS_CGAL_swigconstant(_IMP_multifit)
577 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
579 _IMP_multifit.IMP_EM_HAS_HDF5_swigconstant(_IMP_multifit)
580 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
582 _IMP_multifit.IMPEM_SHOW_WARNINGS_swigconstant(_IMP_multifit)
583 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
586 _IMP_multifit.IMP_RMF_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
587 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
589 _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
590 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
592 _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
593 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
595 _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
596 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
598 _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
599 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
601 _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX_swigconstant(_IMP_multifit)
602 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
604 _IMP_multifit.IMP_RMF_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
605 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_SYSTEM
607 _IMP_multifit.IMP_RMF_HAS_CGAL_swigconstant(_IMP_multifit)
608 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
610 _IMP_multifit.IMP_RMF_HAS_HDF5_swigconstant(_IMP_multifit)
611 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
613 _IMP_multifit.IMPRMF_SHOW_WARNINGS_swigconstant(_IMP_multifit)
614 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
618 _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM_swigconstant(_IMP_multifit)
619 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
621 _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
622 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
624 _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL_swigconstant(_IMP_multifit)
625 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
627 _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF_swigconstant(_IMP_multifit)
628 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
630 _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
631 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
633 _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_multifit)
634 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
636 _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_multifit)
637 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
639 _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
640 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
642 _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX_swigconstant(_IMP_multifit)
643 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
645 _IMP_multifit.IMP_DOMINO_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
646 IMP_DOMINO_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_SYSTEM
648 _IMP_multifit.IMP_DOMINO_HAS_CGAL_swigconstant(_IMP_multifit)
649 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
651 _IMP_multifit.IMP_DOMINO_HAS_HDF5_swigconstant(_IMP_multifit)
652 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
654 _IMP_multifit.IMP_DOMINO_HAS_RMF_swigconstant(_IMP_multifit)
655 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
657 _IMP_multifit.IMPDOMINO_SHOW_WARNINGS_swigconstant(_IMP_multifit)
658 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
662 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL_swigconstant(_IMP_multifit)
663 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
665 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER_swigconstant(_IMP_multifit)
666 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
668 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY_swigconstant(_IMP_multifit)
669 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
671 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL_swigconstant(_IMP_multifit)
672 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
674 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF_swigconstant(_IMP_multifit)
675 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
677 _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_multifit)
678 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
680 _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH_swigconstant(_IMP_multifit)
681 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
683 _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM_swigconstant(_IMP_multifit)
684 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
686 _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX_swigconstant(_IMP_multifit)
687 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
689 _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_SYSTEM_swigconstant(_IMP_multifit)
690 IMP_MULTIFIT_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_SYSTEM
692 _IMP_multifit.IMP_MULTIFIT_HAS_CGAL_swigconstant(_IMP_multifit)
693 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
695 _IMP_multifit.IMP_MULTIFIT_HAS_HDF5_swigconstant(_IMP_multifit)
696 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
698 _IMP_multifit.IMP_MULTIFIT_HAS_RMF_swigconstant(_IMP_multifit)
699 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
701 _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS_swigconstant(_IMP_multifit)
702 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
704 _object_types.append(
"RadiusOfGyrationRestraint")
707 def _object_cast_to_RadiusOfGyrationRestraint(o):
708 """_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
709 return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(o)
711 _object_types.append(
"ComponentHeader")
714 def _object_cast_to_ComponentHeader(o):
715 """_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
716 return _IMP_multifit._object_cast_to_ComponentHeader(o)
718 _object_types.append(
"AssemblyHeader")
721 def _object_cast_to_AssemblyHeader(o):
722 """_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
723 return _IMP_multifit._object_cast_to_AssemblyHeader(o)
725 _object_types.append(
"SettingsData")
728 def _object_cast_to_SettingsData(o):
729 """_object_cast_to_SettingsData(Object o) -> SettingsData"""
730 return _IMP_multifit._object_cast_to_SettingsData(o)
732 _object_types.append(
"WeightedExcludedVolumeRestraint")
735 def _object_cast_to_WeightedExcludedVolumeRestraint(o):
736 """_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
737 return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(o)
739 _object_types.append(
"ComplementarityRestraint")
742 def _object_cast_to_ComplementarityRestraint(o):
743 """_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
744 return _IMP_multifit._object_cast_to_ComplementarityRestraint(o)
746 ProteinRecordDataList=list
747 _plural_types.append(
"ProteinRecordDataList")
748 _value_types.append(
"ProteinRecordData")
751 FittingSolutionRecords=list
752 _plural_types.append(
"FittingSolutionRecords")
753 _value_types.append(
"FittingSolutionRecord")
757 _plural_types.append(
"AnchorsDataList")
758 _value_types.append(
"AnchorsData")
761 DominoParamsList=list
762 _plural_types.append(
"DominoParamsList")
763 _value_types.append(
"DominoParams")
766 ComplementarityParamsList=list
767 _plural_types.append(
"ComplementarityParamsList")
768 _value_types.append(
"ComplementarityParams")
772 _plural_types.append(
"XlinkParamsList")
773 _value_types.append(
"XlinkParams")
776 ConnectivityParamsList=list
777 _plural_types.append(
"ConnectivityParamsList")
778 _value_types.append(
"ConnectivityParams")
781 FragmentsParamsList=list
782 _plural_types.append(
"FragmentsParamsList")
783 _value_types.append(
"FragmentsParams")
787 _plural_types.append(
"RogParamsList")
788 _value_types.append(
"RogParams")
792 _plural_types.append(
"EVParamsList")
793 _value_types.append(
"EVParams")
796 FiltersParamsList=list
797 _plural_types.append(
"FiltersParamsList")
798 _value_types.append(
"FiltersParams")
801 AlignmentParamsList=list
802 _plural_types.append(
"AlignmentParamsList")
803 _value_types.append(
"AlignmentParams")
806 FittingParamsList=list
807 _plural_types.append(
"FittingParamsList")
808 _value_types.append(
"FittingParams")
811 ProteinsAnchorsSamplingSpaces=list
812 _plural_types.append(
"ProteinsAnchorsSamplingSpaces")
813 _value_types.append(
"ProteinsAnchorsSamplingSpace")
816 _object_types.append(
"ProteomicsData")
819 def _object_cast_to_ProteomicsData(o):
820 """_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
821 return _IMP_multifit._object_cast_to_ProteomicsData(o)
823 _object_types.append(
"FFTFitting")
826 def _object_cast_to_FFTFitting(o):
827 """_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
828 return _IMP_multifit._object_cast_to_FFTFitting(o)
830 _object_types.append(
"FFTFittingOutput")
833 def _object_cast_to_FFTFittingOutput(o):
834 """_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
835 return _IMP_multifit._object_cast_to_FFTFittingOutput(o)
837 _object_types.append(
"ProbabilisticAnchorGraph")
840 def _object_cast_to_ProbabilisticAnchorGraph(o):
841 """_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
842 return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(o)
844 _object_types.append(
"Ensemble")
847 def _object_cast_to_Ensemble(o):
848 """_object_cast_to_Ensemble(Object o) -> Ensemble"""
849 return _IMP_multifit._object_cast_to_Ensemble(o)
851 _object_types.append(
"ProteomicsEMAlignmentAtomic")
854 def _object_cast_to_ProteomicsEMAlignmentAtomic(o):
855 """_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
856 return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(o)
860 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key, FloatKey radius_key, FloatKey weight_key)
861 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key, FloatKey radius_key)
862 add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key)
863 add_surface_index(Hierarchy mhd, IMP::Float apix)
865 return _IMP_multifit.add_surface_index(*args)
869 create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key) -> Restraint
870 create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2) -> Restraint
872 return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
873 class FittingSolutionRecord(object):
874 """Proxy of C++ IMP::multifit::FittingSolutionRecord class."""
876 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
879 """__init__(IMP::multifit::FittingSolutionRecord self) -> FittingSolutionRecord"""
880 this = _IMP_multifit.new_FittingSolutionRecord()
882 self.this.append(this)
887 """get_index(FittingSolutionRecord self) -> unsigned int"""
888 return _IMP_multifit.FittingSolutionRecord_get_index(self)
891 def set_index(self, new_ind):
892 """set_index(FittingSolutionRecord self, unsigned int new_ind)"""
893 return _IMP_multifit.FittingSolutionRecord_set_index(self, new_ind)
896 def get_solution_filename(self):
897 """get_solution_filename(FittingSolutionRecord self) -> std::string"""
898 return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
901 def set_solution_filename(self, sol_fn):
902 """set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
903 return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, sol_fn)
906 def get_fit_transformation(self):
907 """get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
908 return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
911 def set_fit_transformation(self, t):
912 """set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
913 return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, t)
916 def get_match_size(self):
917 """get_match_size(FittingSolutionRecord self) -> unsigned int"""
918 return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
921 def set_match_size(self, match_size):
922 """set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
923 return _IMP_multifit.FittingSolutionRecord_set_match_size(self, match_size)
926 def get_match_average_distance(self):
927 """get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
928 return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
931 def set_match_average_distance(self, match_avg_dist):
932 """set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
933 return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, match_avg_dist)
936 def get_fitting_score(self):
937 """get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
938 return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
941 def set_fitting_score(self, fit_score):
942 """set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
943 return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, fit_score)
946 def get_rmsd_to_reference(self):
947 """get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
948 return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
951 def set_rmsd_to_reference(self, rmsd_to_ref):
952 """set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
953 return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, rmsd_to_ref)
956 def get_dock_transformation(self):
957 """get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
958 return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
961 def set_dock_transformation(self, t):
962 """set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
963 return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, t)
966 def get_envelope_penetration_score(self):
967 """get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
968 return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
971 def set_envelope_penetration_score(self, s):
972 """set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
973 return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, s)
976 def show(self, *args):
978 show(FittingSolutionRecord self, _ostream out)
979 show(FittingSolutionRecord self)
981 return _IMP_multifit.FittingSolutionRecord_show(self, *args)
984 def get_record_header():
985 """get_record_header() -> std::string"""
986 return _IMP_multifit.FittingSolutionRecord_get_record_header()
988 get_record_header = staticmethod(get_record_header)
991 """__str__(FittingSolutionRecord self) -> std::string"""
992 return _IMP_multifit.FittingSolutionRecord___str__(self)
996 """__repr__(FittingSolutionRecord self) -> std::string"""
997 return _IMP_multifit.FittingSolutionRecord___repr__(self)
999 __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
1000 __del__ =
lambda self:
None
1001 FittingSolutionRecord_swigregister = _IMP_multifit.FittingSolutionRecord_swigregister
1002 FittingSolutionRecord_swigregister(FittingSolutionRecord)
1004 def FittingSolutionRecord_get_record_header():
1005 """FittingSolutionRecord_get_record_header() -> std::string"""
1006 return _IMP_multifit.FittingSolutionRecord_get_record_header()
1011 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key, PrincipalComponentAnalysis3D dens_pca_input) -> FittingSolutions
1012 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key) -> FittingSolutions
1013 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
1014 pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key, PrincipalComponentAnalysis3D dens_pca_input) -> FittingSolutions
1015 pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key) -> FittingSolutions
1016 pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
1018 return _IMP_multifit.pca_based_rigid_fitting(*args)
1020 def write_markers(pca, out):
1021 """write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
1022 return _IMP_multifit.write_markers(pca, out)
1024 """Proxy of C++ IMP::multifit::ComponentHeader class."""
1026 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1029 """__init__(IMP::multifit::ComponentHeader self) -> ComponentHeader"""
1030 this = _IMP_multifit.new_ComponentHeader()
1032 self.this.append(this)
1036 def set_name(self, name):
1037 """set_name(ComponentHeader self, std::string const & name)"""
1038 return _IMP_multifit.ComponentHeader_set_name(self, name)
1042 """get_name(ComponentHeader self) -> std::string"""
1043 return _IMP_multifit.ComponentHeader_get_name(self)
1046 def get_filename(self):
1047 """get_filename(ComponentHeader self) -> std::string"""
1048 return _IMP_multifit.ComponentHeader_get_filename(self)
1051 def set_filename(self, filename):
1052 """set_filename(ComponentHeader self, std::string const & filename)"""
1053 return _IMP_multifit.ComponentHeader_set_filename(self, filename)
1056 def get_surface_fn(self):
1057 """get_surface_fn(ComponentHeader self) -> std::string"""
1058 return _IMP_multifit.ComponentHeader_get_surface_fn(self)
1061 def set_surface_fn(self, fn):
1062 """set_surface_fn(ComponentHeader self, std::string const & fn)"""
1063 return _IMP_multifit.ComponentHeader_set_surface_fn(self, fn)
1066 def set_txt_ap_fn(self, pdb_ap_fn):
1067 """set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
1068 return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, pdb_ap_fn)
1071 def get_txt_ap_fn(self):
1072 """get_txt_ap_fn(ComponentHeader self) -> std::string"""
1073 return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
1076 def set_txt_fine_ap_fn(self, pdb_ap_fn):
1077 """set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
1078 return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, pdb_ap_fn)
1081 def get_txt_fine_ap_fn(self):
1082 """get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
1083 return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
1086 def set_num_ap(self, num_ap):
1087 """set_num_ap(ComponentHeader self, int num_ap)"""
1088 return _IMP_multifit.ComponentHeader_set_num_ap(self, num_ap)
1091 def get_num_ap(self):
1092 """get_num_ap(ComponentHeader self) -> int"""
1093 return _IMP_multifit.ComponentHeader_get_num_ap(self)
1096 def set_num_fine_ap(self, num_ap):
1097 """set_num_fine_ap(ComponentHeader self, int num_ap)"""
1098 return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, num_ap)
1101 def get_num_fine_ap(self):
1102 """get_num_fine_ap(ComponentHeader self) -> int"""
1103 return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
1106 def set_transformations_fn(self, transformations_fn):
1107 """set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
1108 return _IMP_multifit.ComponentHeader_set_transformations_fn(self, transformations_fn)
1111 def get_transformations_fn(self):
1112 """get_transformations_fn(ComponentHeader self) -> std::string"""
1113 return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
1116 def set_reference_fn(self, ref_fn):
1117 """set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
1118 return _IMP_multifit.ComponentHeader_set_reference_fn(self, ref_fn)
1121 def get_reference_fn(self):
1122 """get_reference_fn(ComponentHeader self) -> std::string"""
1123 return _IMP_multifit.ComponentHeader_get_reference_fn(self)
1126 def get_version_info(self):
1127 """get_version_info(ComponentHeader self) -> VersionInfo"""
1128 return _IMP_multifit.ComponentHeader_get_version_info(self)
1132 """__str__(ComponentHeader self) -> std::string"""
1133 return _IMP_multifit.ComponentHeader___str__(self)
1137 """__repr__(ComponentHeader self) -> std::string"""
1138 return _IMP_multifit.ComponentHeader___repr__(self)
1143 return _object_cast_to_ComponentHeader(o)
1145 ComponentHeader_swigregister = _IMP_multifit.ComponentHeader_swigregister
1146 ComponentHeader_swigregister(ComponentHeader)
1149 """Proxy of C++ IMP::multifit::AssemblyHeader class."""
1151 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1154 """__init__(IMP::multifit::AssemblyHeader self) -> AssemblyHeader"""
1155 this = _IMP_multifit.new_AssemblyHeader()
1157 self.this.append(this)
1161 def set_dens_fn(self, dens_fn):
1162 """set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
1163 return _IMP_multifit.AssemblyHeader_set_dens_fn(self, dens_fn)
1166 def get_dens_fn(self):
1167 """get_dens_fn(AssemblyHeader self) -> std::string"""
1168 return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
1171 def set_resolution(self, res):
1172 """set_resolution(AssemblyHeader self, float res)"""
1173 return _IMP_multifit.AssemblyHeader_set_resolution(self, res)
1177 """get_resolution(AssemblyHeader self) -> float"""
1178 return _IMP_multifit.AssemblyHeader_get_resolution(self)
1181 def get_spacing(self):
1182 """get_spacing(AssemblyHeader self) -> float"""
1183 return _IMP_multifit.AssemblyHeader_get_spacing(self)
1186 def set_spacing(self, spacing):
1187 """set_spacing(AssemblyHeader self, float spacing)"""
1188 return _IMP_multifit.AssemblyHeader_set_spacing(self, spacing)
1191 def set_threshold(self, t):
1192 """set_threshold(AssemblyHeader self, float t)"""
1193 return _IMP_multifit.AssemblyHeader_set_threshold(self, t)
1196 def get_threshold(self):
1197 """get_threshold(AssemblyHeader self) -> float"""
1198 return _IMP_multifit.AssemblyHeader_get_threshold(self)
1201 def get_origin(self):
1202 """get_origin(AssemblyHeader self) -> Vector3D"""
1203 return _IMP_multifit.AssemblyHeader_get_origin(self)
1206 def set_origin(self, origin):
1207 """set_origin(AssemblyHeader self, Vector3D origin)"""
1208 return _IMP_multifit.AssemblyHeader_set_origin(self, origin)
1211 def get_coarse_ap_fn(self):
1212 """get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
1213 return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
1216 def set_coarse_ap_fn(self, new_fn):
1217 """set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1218 return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, new_fn)
1221 def get_coarse_over_sampled_ap_fn(self):
1222 """get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1223 return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
1226 def set_coarse_over_sampled_ap_fn(self, new_fn):
1227 """set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1228 return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, new_fn)
1231 def get_fine_ap_fn(self):
1232 """get_fine_ap_fn(AssemblyHeader self) -> std::string"""
1233 return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
1236 def set_fine_ap_fn(self, new_fn):
1237 """set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1238 return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, new_fn)
1241 def get_fine_over_sampled_ap_fn(self):
1242 """get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1243 return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
1246 def set_fine_over_sampled_ap_fn(self, new_fn):
1247 """set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1248 return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, new_fn)
1251 def get_version_info(self):
1252 """get_version_info(AssemblyHeader self) -> VersionInfo"""
1253 return _IMP_multifit.AssemblyHeader_get_version_info(self)
1257 """__str__(AssemblyHeader self) -> std::string"""
1258 return _IMP_multifit.AssemblyHeader___str__(self)
1262 """__repr__(AssemblyHeader self) -> std::string"""
1263 return _IMP_multifit.AssemblyHeader___repr__(self)
1268 return _object_cast_to_AssemblyHeader(o)
1270 AssemblyHeader_swigregister = _IMP_multifit.AssemblyHeader_swigregister
1271 AssemblyHeader_swigregister(AssemblyHeader)
1274 """Proxy of C++ IMP::multifit::SettingsData class."""
1276 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1279 """__init__(IMP::multifit::SettingsData self) -> SettingsData"""
1280 this = _IMP_multifit.new_SettingsData()
1282 self.this.append(this)
1286 def show_component_header_line(*args):
1288 show_component_header_line(_ostream out)
1289 show_component_header_line()
1291 return _IMP_multifit.SettingsData_show_component_header_line(*args)
1293 show_component_header_line = staticmethod(show_component_header_line)
1295 def get_component_header_line():
1296 """get_component_header_line() -> std::string"""
1297 return _IMP_multifit.SettingsData_get_component_header_line()
1299 get_component_header_line = staticmethod(get_component_header_line)
1301 def show_density_header_line(*args):
1303 show_density_header_line(_ostream out)
1304 show_density_header_line()
1306 return _IMP_multifit.SettingsData_show_density_header_line(*args)
1308 show_density_header_line = staticmethod(show_density_header_line)
1310 def get_density_header_line():
1311 """get_density_header_line() -> std::string"""
1312 return _IMP_multifit.SettingsData_get_density_header_line()
1314 get_density_header_line = staticmethod(get_density_header_line)
1316 def set_assembly_filename(self, fn):
1317 """set_assembly_filename(SettingsData self, std::string const & fn)"""
1318 return _IMP_multifit.SettingsData_set_assembly_filename(self, fn)
1321 def get_assembly_filename(self):
1322 """get_assembly_filename(SettingsData self) -> char const *"""
1323 return _IMP_multifit.SettingsData_get_assembly_filename(self)
1326 def set_assembly_header(self, h):
1327 """set_assembly_header(SettingsData self, AssemblyHeader h)"""
1328 return _IMP_multifit.SettingsData_set_assembly_header(self, h)
1331 def get_assembly_header(self):
1332 """get_assembly_header(SettingsData self) -> AssemblyHeader"""
1333 return _IMP_multifit.SettingsData_get_assembly_header(self)
1336 def set_data_path(self, fn):
1337 """set_data_path(SettingsData self, std::string const & fn)"""
1338 return _IMP_multifit.SettingsData_set_data_path(self, fn)
1342 """get_data_path(SettingsData self) -> std::string"""
1343 return _IMP_multifit.SettingsData_get_data_path(self)
1346 def get_version_info(self):
1347 """get_version_info(SettingsData self) -> VersionInfo"""
1348 return _IMP_multifit.SettingsData_get_version_info(self)
1351 def remove_component_header(self, d):
1352 """remove_component_header(SettingsData self, ComponentHeader d)"""
1353 return _IMP_multifit.SettingsData_remove_component_header(self, d)
1356 def remove_component_headers(self, d):
1357 """remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
1358 return _IMP_multifit.SettingsData_remove_component_headers(self, d)
1361 def set_component_headers(self, ps):
1362 """set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
1363 return _IMP_multifit.SettingsData_set_component_headers(self, ps)
1366 def set_component_headers_order(self, objs):
1367 """set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1368 return _IMP_multifit.SettingsData_set_component_headers_order(self, objs)
1371 def add_component_header(self, obj):
1372 """add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
1373 return _IMP_multifit.SettingsData_add_component_header(self, obj)
1376 def add_component_headers(self, objs):
1377 """add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1378 return _IMP_multifit.SettingsData_add_component_headers(self, objs)
1381 def clear_component_headers(self):
1382 """clear_component_headers(SettingsData self)"""
1383 return _IMP_multifit.SettingsData_clear_component_headers(self)
1386 def get_number_of_component_headers(self):
1387 """get_number_of_component_headers(SettingsData self) -> unsigned int"""
1388 return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
1391 def get_has_component_headers(self):
1392 """get_has_component_headers(SettingsData self) -> bool"""
1393 return _IMP_multifit.SettingsData_get_has_component_headers(self)
1396 def get_component_header(self, i):
1397 """get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
1398 return _IMP_multifit.SettingsData_get_component_header(self, i)
1401 def get_component_headers(self):
1402 """get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
1403 return _IMP_multifit.SettingsData_get_component_headers(self)
1406 def reserve_component_headers(self, sz):
1407 """reserve_component_headers(SettingsData self, unsigned int sz)"""
1408 return _IMP_multifit.SettingsData_reserve_component_headers(self, sz)
1412 """__str__(SettingsData self) -> std::string"""
1413 return _IMP_multifit.SettingsData___str__(self)
1417 """__repr__(SettingsData self) -> std::string"""
1418 return _IMP_multifit.SettingsData___repr__(self)
1423 return _object_cast_to_SettingsData(o)
1425 SettingsData_swigregister = _IMP_multifit.SettingsData_swigregister
1426 SettingsData_swigregister(SettingsData)
1428 def SettingsData_show_component_header_line(*args):
1430 show_component_header_line(_ostream out)
1431 SettingsData_show_component_header_line()
1433 return _IMP_multifit.SettingsData_show_component_header_line(*args)
1435 def SettingsData_get_component_header_line():
1436 """SettingsData_get_component_header_line() -> std::string"""
1437 return _IMP_multifit.SettingsData_get_component_header_line()
1439 def SettingsData_show_density_header_line(*args):
1441 show_density_header_line(_ostream out)
1442 SettingsData_show_density_header_line()
1444 return _IMP_multifit.SettingsData_show_density_header_line(*args)
1446 def SettingsData_get_density_header_line():
1447 """SettingsData_get_density_header_line() -> std::string"""
1448 return _IMP_multifit.SettingsData_get_density_header_line()
1451 def read_settings(filename):
1452 """read_settings(char const * filename) -> SettingsData"""
1453 return _IMP_multifit.read_settings(filename)
1455 def write_settings(filename, sd):
1456 """write_settings(char const * filename, SettingsData sd)"""
1457 return _IMP_multifit.write_settings(filename, sd)
1459 """Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class."""
1461 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1465 __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key) -> WeightedExcludedVolumeRestraint
1466 __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner) -> WeightedExcludedVolumeRestraint
1468 this = _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args)
1470 self.this.append(this)
1474 def do_get_inputs(self):
1475 """do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
1476 return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1479 def get_version_info(self):
1480 """get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1481 return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1485 """__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1486 return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1490 """__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1491 return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1496 return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1498 WeightedExcludedVolumeRestraint_swigregister = _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister
1499 WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1502 """Proxy of C++ IMP::multifit::FFTFittingOutput class."""
1504 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1507 """__init__(IMP::multifit::FFTFittingOutput self) -> FFTFittingOutput"""
1508 this = _IMP_multifit.new_FFTFittingOutput()
1510 self.this.append(this)
1514 def get_version_info(self):
1515 """get_version_info(FFTFittingOutput self) -> VersionInfo"""
1516 return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1518 best_fits_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set)
1519 best_trans_per_rot_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set)
1522 """__str__(FFTFittingOutput self) -> std::string"""
1523 return _IMP_multifit.FFTFittingOutput___str__(self)
1527 """__repr__(FFTFittingOutput self) -> std::string"""
1528 return _IMP_multifit.FFTFittingOutput___repr__(self)
1533 return _object_cast_to_FFTFittingOutput(o)
1535 FFTFittingOutput_swigregister = _IMP_multifit.FFTFittingOutput_swigregister
1536 FFTFittingOutput_swigregister(FFTFittingOutput)
1539 """Proxy of C++ IMP::multifit::FFTFitting class."""
1541 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1543 def get_version_info(self):
1544 """get_version_info(FFTFitting self) -> VersionInfo"""
1545 return _IMP_multifit.FFTFitting_get_version_info(self)
1549 """__init__(IMP::multifit::FFTFitting self) -> FFTFitting"""
1550 this = _IMP_multifit.new_FFTFitting()
1552 self.this.append(this)
1556 def do_global_fitting(self, *args):
1558 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1, std::string const & angles_filename) -> FFTFittingOutput
1559 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1) -> FFTFittingOutput
1560 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True) -> FFTFittingOutput
1561 do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle) -> FFTFittingOutput
1563 return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1566 def do_local_fitting(self, *args):
1568 do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, double max_angle_sampling_rad, double max_translation, int num_fits_to_report, bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation, double max_clustering_rotation, std::string const & angles_filename) -> FFTFittingOutput
1569 do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, double max_angle_sampling_rad, double max_translation, int num_fits_to_report, bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation, double max_clustering_rotation) -> FFTFittingOutput
1571 return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1575 """__str__(FFTFitting self) -> std::string"""
1576 return _IMP_multifit.FFTFitting___str__(self)
1580 """__repr__(FFTFitting self) -> std::string"""
1581 return _IMP_multifit.FFTFitting___repr__(self)
1586 return _object_cast_to_FFTFitting(o)
1588 FFTFitting_swigregister = _IMP_multifit.FFTFitting_swigregister
1589 FFTFitting_swigregister(FFTFitting)
1593 """fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1594 return _IMP_multifit.fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad)
1597 """remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1598 return _IMP_multifit.remove_background(dmap, threshold, edge_threshold)
1601 """get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1602 return _IMP_multifit.get_connected_components(dmap, threshold, edge_threshold)
1604 def get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename):
1605 """get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename, std::string const cmm_filename, std::string const seg_filename, std::string const txt_filename)"""
1606 return _IMP_multifit.get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename)
1608 """Proxy of C++ IMP::multifit::ComplementarityRestraint class."""
1610 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1614 __init__(IMP::multifit::ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b, std::string name) -> ComplementarityRestraint
1615 __init__(IMP::multifit::ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> ComplementarityRestraint
1617 this = _IMP_multifit.new_ComplementarityRestraint(*args)
1619 self.this.append(this)
1623 def set_maximum_penetration_score(self, s):
1624 """set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1625 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, s)
1628 def set_maximum_penetration(self, d):
1629 """set_maximum_penetration(ComplementarityRestraint self, double d)"""
1630 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, d)
1633 def set_maximum_separation(self, s):
1634 """set_maximum_separation(ComplementarityRestraint self, double s)"""
1635 return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, s)
1638 def set_complementarity_thickness(self, th):
1639 """set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1640 return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, th)
1643 def set_complementarity_value(self, th):
1644 """set_complementarity_value(ComplementarityRestraint self, double th)"""
1645 return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, th)
1648 def set_interior_layer_thickness(self, th):
1649 """set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1650 return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, th)
1653 def set_penetration_coefficient(self, pc):
1654 """set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1655 return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, pc)
1658 def set_complementarity_coefficient(self, cc):
1659 """set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1660 return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, cc)
1663 def set_boundary_coefficient(self, bc):
1664 """set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1665 return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, bc)
1668 def get_voxel_size(self):
1669 """get_voxel_size(ComplementarityRestraint self) -> float"""
1670 return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1673 def do_get_inputs(self):
1674 """do_get_inputs(ComplementarityRestraint self) -> IMP::ModelObjectsTemp"""
1675 return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1678 def get_version_info(self):
1679 """get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1680 return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1684 """__str__(ComplementarityRestraint self) -> std::string"""
1685 return _IMP_multifit.ComplementarityRestraint___str__(self)
1689 """__repr__(ComplementarityRestraint self) -> std::string"""
1690 return _IMP_multifit.ComplementarityRestraint___repr__(self)
1695 return _object_cast_to_ComplementarityRestraint(o)
1697 ComplementarityRestraint_swigregister = _IMP_multifit.ComplementarityRestraint_swigregister
1698 ComplementarityRestraint_swigregister(ComplementarityRestraint)
1702 """read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1703 return _IMP_multifit.read_fitting_solutions(fitting_fn)
1707 write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols, int num_sols=-1)
1708 write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols)
1710 return _IMP_multifit.write_fitting_solutions(fitting_fn, fit_sols, num_sols)
1712 def convert_em_to_multifit_format(em_fits):
1713 """convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1714 return _IMP_multifit.convert_em_to_multifit_format(em_fits)
1716 def convert_multifit_to_em_format(multifit_fits):
1717 """convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1718 return _IMP_multifit.convert_multifit_to_em_format(multifit_fits)
1720 def convert_transformations_to_multifit_format(trans):
1721 """convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1722 return _IMP_multifit.convert_transformations_to_multifit_format(trans)
1724 def convert_multifit_format_to_transformations(recs):
1725 """convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1726 return _IMP_multifit.convert_multifit_format_to_transformations(recs)
1729 """get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap, IMP::Float dist) -> IMP::multifit::FittingSolutionRecords"""
1730 return _IMP_multifit.get_close_to_point(fit_sols, mh, ap, dist)
1732 """Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class."""
1734 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1736 def __init__(self, anchor_positions):
1737 """__init__(IMP::multifit::ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1738 this = _IMP_multifit.new_ProbabilisticAnchorGraph(anchor_positions)
1740 self.this.append(this)
1744 def add_edge(self, i, j):
1745 """add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1746 return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, i, j)
1749 def set_particle_probabilities_on_anchors(self, p, sols):
1750 """set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1751 return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, p, sols)
1754 def show(self, *args):
1756 show(ProbabilisticAnchorGraph self, _ostream out)
1757 show(ProbabilisticAnchorGraph self)
1759 return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1762 def get_number_of_anchors(self):
1763 """get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1764 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1767 def get_number_of_edges(self):
1768 """get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1769 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1772 def get_edge_list(self):
1773 """get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1774 return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1777 def get_anchors(self):
1778 """get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1779 return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1782 def get_particle_anchors(self, p, min_prob=0):
1784 get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds
1785 get_particle_anchors(ProbabilisticAnchorGraph self, Particle p) -> IMP::algebra::Vector3Ds
1787 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, p, min_prob)
1790 def get_are_probabilities_for_particle_set(self, p):
1791 """get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1792 return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, p)
1795 def get_particle_probabilities(self, p):
1796 """get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1797 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, p)
1800 def get_version_info(self):
1801 """get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1802 return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1806 """__str__(ProbabilisticAnchorGraph self) -> std::string"""
1807 return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1811 """__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1812 return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1817 return _object_cast_to_ProbabilisticAnchorGraph(o)
1819 ProbabilisticAnchorGraph_swigregister = _IMP_multifit.ProbabilisticAnchorGraph_swigregister
1820 ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1822 class ProteinRecordData(object):
1823 """Proxy of C++ IMP::multifit::ProteinRecordData class."""
1825 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1827 def reset_all(self):
1828 """reset_all(ProteinRecordData self)"""
1829 return _IMP_multifit.ProteinRecordData_reset_all(self)
1834 __init__(IMP::multifit::ProteinRecordData self) -> ProteinRecordData
1835 __init__(IMP::multifit::ProteinRecordData self, std::string const & name) -> ProteinRecordData
1836 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1837 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1838 __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn, std::string const & ref_fn) -> ProteinRecordData
1840 this = _IMP_multifit.new_ProteinRecordData(*args)
1842 self.this.append(this)
1846 def show(self, *args):
1848 show(ProteinRecordData self, _ostream out)
1849 show(ProteinRecordData self)
1851 return _IMP_multifit.ProteinRecordData_show(self, *args)
1853 name_ = _swig_property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set)
1854 start_res_ = _swig_property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set)
1855 end_res_ = _swig_property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set)
1856 filename_ = _swig_property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set)
1857 surface_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set)
1858 ref_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set)
1861 """__str__(ProteinRecordData self) -> std::string"""
1862 return _IMP_multifit.ProteinRecordData___str__(self)
1866 """__repr__(ProteinRecordData self) -> std::string"""
1867 return _IMP_multifit.ProteinRecordData___repr__(self)
1869 __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1870 __del__ =
lambda self:
None
1871 ProteinRecordData_swigregister = _IMP_multifit.ProteinRecordData_swigregister
1872 ProteinRecordData_swigregister(ProteinRecordData)
1875 """Proxy of C++ IMP::multifit::ProteomicsData class."""
1877 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1880 """__init__(IMP::multifit::ProteomicsData self) -> ProteomicsData"""
1881 this = _IMP_multifit.new_ProteomicsData()
1883 self.this.append(this)
1887 def add_protein(self, *args):
1889 add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn, std::string const & ref_fn) -> int
1890 add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1892 return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1895 def find(self, name):
1896 """find(ProteomicsData self, std::string const & name) -> int"""
1897 return _IMP_multifit.ProteomicsData_find(self, name)
1900 def add_interaction(self, ii, used_for_filter, linker_len):
1901 """add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1902 return _IMP_multifit.ProteomicsData_add_interaction(self, ii, used_for_filter, linker_len)
1905 def add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len):
1906 """add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter, IMP::Float linker_len)"""
1907 return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len)
1910 def add_ev_pair(self, prot1, prot2):
1911 """add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1912 return _IMP_multifit.ProteomicsData_add_ev_pair(self, prot1, prot2)
1915 def get_number_of_proteins(self):
1916 """get_number_of_proteins(ProteomicsData self) -> int"""
1917 return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1920 def get_number_of_interactions(self):
1921 """get_number_of_interactions(ProteomicsData self) -> int"""
1922 return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1925 def get_interaction(self, interaction_ind):
1926 """get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1927 return _IMP_multifit.ProteomicsData_get_interaction(self, interaction_ind)
1930 def get_interaction_part_of_filter(self, interaction_ind):
1931 """get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1932 return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, interaction_ind)
1935 def get_interaction_linker_length(self, interaction_ind):
1936 """get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1937 return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, interaction_ind)
1940 def get_number_of_cross_links(self):
1941 """get_number_of_cross_links(ProteomicsData self) -> int"""
1942 return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1945 def get_cross_link(self, xlink_ind):
1946 """get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1947 return _IMP_multifit.ProteomicsData_get_cross_link(self, xlink_ind)
1950 def get_cross_link_part_of_filter(self, xlink_ind):
1951 """get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1952 return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, xlink_ind)
1955 def get_cross_link_length(self, xlink_ind):
1956 """get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1957 return _IMP_multifit.ProteomicsData_get_cross_link_length(self, xlink_ind)
1960 def get_number_of_ev_pairs(self):
1961 """get_number_of_ev_pairs(ProteomicsData self) -> int"""
1962 return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1965 def get_ev_pair(self, ev_ind):
1966 """get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1967 return _IMP_multifit.ProteomicsData_get_ev_pair(self, ev_ind)
1970 def get_protein_name(self, protein_ind):
1971 """get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1972 return _IMP_multifit.ProteomicsData_get_protein_name(self, protein_ind)
1975 def get_end_res(self, protein_ind):
1976 """get_end_res(ProteomicsData self, int protein_ind) -> int"""
1977 return _IMP_multifit.ProteomicsData_get_end_res(self, protein_ind)
1980 def get_start_res(self, protein_ind):
1981 """get_start_res(ProteomicsData self, int protein_ind) -> int"""
1982 return _IMP_multifit.ProteomicsData_get_start_res(self, protein_ind)
1985 def get_protein_filename(self, protein_ind):
1986 """get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1987 return _IMP_multifit.ProteomicsData_get_protein_filename(self, protein_ind)
1990 def get_reference_filename(self, protein_ind):
1991 """get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1992 return _IMP_multifit.ProteomicsData_get_reference_filename(self, protein_ind)
1995 def get_surface_filename(self, protein_ind):
1996 """get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1997 return _IMP_multifit.ProteomicsData_get_surface_filename(self, protein_ind)
2000 def get_protein_data(self, protein_ind):
2001 """get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
2002 return _IMP_multifit.ProteomicsData_get_protein_data(self, protein_ind)
2005 def get_version_info(self):
2006 """get_version_info(ProteomicsData self) -> VersionInfo"""
2007 return _IMP_multifit.ProteomicsData_get_version_info(self)
2010 def get_num_allowed_violated_interactions(self):
2011 """get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
2012 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
2015 def set_num_allowed_violated_interactions(self, n):
2016 """set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
2017 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, n)
2020 def get_num_allowed_violated_cross_links(self):
2021 """get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
2022 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
2025 def set_num_allowed_violated_cross_links(self, n):
2026 """set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
2027 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, n)
2030 def get_num_allowed_violated_ev(self):
2031 """get_num_allowed_violated_ev(ProteomicsData self) -> int"""
2032 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
2035 def set_num_allowed_violated_ev(self, n):
2036 """set_num_allowed_violated_ev(ProteomicsData self, int n)"""
2037 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, n)
2041 """__str__(ProteomicsData self) -> std::string"""
2042 return _IMP_multifit.ProteomicsData___str__(self)
2046 """__repr__(ProteomicsData self) -> std::string"""
2047 return _IMP_multifit.ProteomicsData___repr__(self)
2052 return _object_cast_to_ProteomicsData(o)
2054 ProteomicsData_swigregister = _IMP_multifit.ProteomicsData_swigregister
2055 ProteomicsData_swigregister(ProteomicsData)
2059 """read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
2060 return _IMP_multifit.read_proteomics_data(proteomics_fn)
2062 def get_partial_proteomics_data(pd, prot_names):
2063 """get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
2064 return _IMP_multifit.get_partial_proteomics_data(pd, prot_names)
2065 class AnchorsData(object):
2066 """Proxy of C++ IMP::multifit::AnchorsData class."""
2068 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2072 __init__(IMP::multifit::AnchorsData self) -> AnchorsData
2073 __init__(IMP::multifit::AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
2075 this = _IMP_multifit.new_AnchorsData(*args)
2077 self.this.append(this)
2081 def remove_edges_for_node(self, node_ind):
2082 """remove_edges_for_node(AnchorsData self, int node_ind)"""
2083 return _IMP_multifit.AnchorsData_remove_edges_for_node(self, node_ind)
2086 def get_number_of_points(self):
2087 """get_number_of_points(AnchorsData self) -> int"""
2088 return _IMP_multifit.AnchorsData_get_number_of_points(self)
2091 def get_number_of_edges(self):
2092 """get_number_of_edges(AnchorsData self) -> int"""
2093 return _IMP_multifit.AnchorsData_get_number_of_edges(self)
2096 def get_is_point_considered(self, node_ind):
2097 """get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
2098 return _IMP_multifit.AnchorsData_get_is_point_considered(self, node_ind)
2101 def show(self, *args):
2103 show(AnchorsData self, _ostream out)
2104 show(AnchorsData self)
2106 return _IMP_multifit.AnchorsData_show(self, *args)
2109 def get_secondary_structure_is_set(self):
2110 """get_secondary_structure_is_set(AnchorsData self) -> bool"""
2111 return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
2114 def setup_secondary_structure(self, mdl):
2115 """setup_secondary_structure(AnchorsData self, Model mdl)"""
2116 return _IMP_multifit.AnchorsData_setup_secondary_structure(self, mdl)
2119 def set_secondary_structure_probabilities(self, *args):
2121 set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps, IMP::Ints const & indices)
2122 set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps)
2124 return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
2127 def get_secondary_structure_particles(self):
2128 """get_secondary_structure_particles(AnchorsData self) -> IMP::Particles"""
2129 return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
2131 points_ = _swig_property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set)
2132 consider_point_ = _swig_property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set)
2133 edges_ = _swig_property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set)
2136 """__str__(AnchorsData self) -> std::string"""
2137 return _IMP_multifit.AnchorsData___str__(self)
2141 """__repr__(AnchorsData self) -> std::string"""
2142 return _IMP_multifit.AnchorsData___repr__(self)
2144 __swig_destroy__ = _IMP_multifit.delete_AnchorsData
2145 __del__ =
lambda self:
None
2146 AnchorsData_swigregister = _IMP_multifit.AnchorsData_swigregister
2147 AnchorsData_swigregister(AnchorsData)
2150 def read_anchors_data(txt_filename):
2151 """read_anchors_data(char const * txt_filename) -> AnchorsData"""
2152 return _IMP_multifit.read_anchors_data(txt_filename)
2154 def write_txt(txt_filename, ad):
2155 """write_txt(std::string const & txt_filename, AnchorsData ad)"""
2156 return _IMP_multifit.write_txt(txt_filename, ad)
2158 def write_cmm(cmm_filename, marker_set_name, dpa):
2159 """write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
2160 return _IMP_multifit.write_cmm(cmm_filename, marker_set_name, dpa)
2163 """create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
2164 return _IMP_multifit.create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius)
2166 def create_hit_map(rb, rb_ref, sols, damp):
2167 """create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols, DensityMap damp) -> DensityMap"""
2168 return _IMP_multifit.create_hit_map(rb, rb_ref, sols, damp)
2171 """get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
2172 return _IMP_multifit.get_points_close_to_molecule(mh, points, max_dist)
2174 def get_points_far_from_molecule(mh, points, max_dist):
2175 """get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
2176 return _IMP_multifit.get_points_far_from_molecule(mh, points, max_dist)
2178 """Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class."""
2180 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2182 def __init__(self, ps, num_residues, scale=1.):
2184 __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint
2185 __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues) -> RadiusOfGyrationRestraint
2187 this = _IMP_multifit.new_RadiusOfGyrationRestraint(ps, num_residues, scale)
2189 self.this.append(this)
2193 def do_get_inputs(self):
2194 """do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::ModelObjectsTemp"""
2195 return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
2198 def get_version_info(self):
2199 """get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
2200 return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
2203 def set_radius_of_gyration(self, r):
2204 """set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
2205 return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, r)
2209 """get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
2210 return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
2214 """__str__(RadiusOfGyrationRestraint self) -> std::string"""
2215 return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
2219 """__repr__(RadiusOfGyrationRestraint self) -> std::string"""
2220 return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
2225 return _object_cast_to_RadiusOfGyrationRestraint(o)
2227 RadiusOfGyrationRestraint_swigregister = _IMP_multifit.RadiusOfGyrationRestraint_swigregister
2228 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
2231 def get_approximated_radius_of_gyration(len):
2232 """get_approximated_radius_of_gyration(int len) -> float"""
2233 return _IMP_multifit.get_approximated_radius_of_gyration(len)
2235 def get_actual_radius_of_gyration(ps):
2236 """get_actual_radius_of_gyration(IMP::ParticlesTemp ps) -> float"""
2237 return _IMP_multifit.get_actual_radius_of_gyration(ps)
2239 def get_approximated_radius(len):
2240 """get_approximated_radius(int len) -> float"""
2241 return _IMP_multifit.get_approximated_radius(len)
2242 class ProteinsAnchorsSamplingSpace(object):
2243 """Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class."""
2245 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2249 __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace
2250 __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self) -> ProteinsAnchorsSamplingSpace
2252 this = _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots)
2254 self.this.append(this)
2258 def set_anchors(self, data):
2259 """set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
2260 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, data)
2263 def get_anchors(self):
2264 """get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
2265 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
2268 def get_anchors_filename(self):
2269 """get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
2270 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
2273 def set_anchors_filename(self, fn):
2274 """set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
2275 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, fn)
2278 def get_proteomics_data(self):
2279 """get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
2280 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
2283 def add_protein(self, rec):
2284 """add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
2285 return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, rec)
2288 def get_paths_for_protein(self, prot_name):
2289 """get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
2290 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, prot_name)
2293 def set_paths_filename_for_protein(self, prot_name, paths_filename):
2294 """set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
2295 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, prot_name, paths_filename)
2298 def get_paths_filename_for_protein(self, prot_name):
2299 """get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
2300 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, prot_name)
2303 def set_paths_for_protein(self, prot_name, paths):
2304 """set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
2305 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, prot_name, paths)
2308 def show(self, *args):
2310 show(ProteinsAnchorsSamplingSpace self, _ostream s)
2311 show(ProteinsAnchorsSamplingSpace self)
2313 return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
2317 """__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
2318 return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
2322 """__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
2323 return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
2325 __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
2326 __del__ =
lambda self:
None
2327 ProteinsAnchorsSamplingSpace_swigregister = _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister
2328 ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
2331 def read_protein_anchors_mapping(*args):
2333 read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths) -> ProteinsAnchorsSamplingSpace
2334 read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn) -> ProteinsAnchorsSamplingSpace
2336 return _IMP_multifit.read_protein_anchors_mapping(*args)
2338 def write_protein_anchors_mapping(*args):
2340 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)
2341 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
2343 return _IMP_multifit.write_protein_anchors_mapping(*args)
2346 """get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
2347 return _IMP_multifit.get_part_of_sampling_space(prots_ss, prot_names)
2350 """get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
2351 return _IMP_multifit.get_partial_assembly_setting_data(prots_sd, prot_names)
2355 read_paths(char const * txt_filename, int max_paths) -> IMP::IntsList
2356 read_paths(char const * txt_filename) -> IMP::IntsList
2358 return _IMP_multifit.read_paths(*args)
2360 def write_paths(paths, txt_filename):
2361 """write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
2362 return _IMP_multifit.write_paths(paths, txt_filename)
2364 def molecule2anchors(mh, k):
2365 """molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
2366 return _IMP_multifit.molecule2anchors(mh, k)
2368 def get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename):
2369 """get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)"""
2370 return _IMP_multifit.get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename)
2374 get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList
2375 get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs) -> IMP::IntsList
2377 return _IMP_multifit.get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd)
2378 class DominoParams(object):
2379 """Proxy of C++ IMP::multifit::DominoParams class."""
2381 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2384 """__init__(IMP::multifit::DominoParams self) -> DominoParams"""
2385 this = _IMP_multifit.new_DominoParams()
2387 self.this.append(this)
2392 """add(DominoParams self, boost::property_tree::ptree const & pt)"""
2393 return _IMP_multifit.DominoParams_add(self, pt)
2396 def show(self, *args):
2398 show(DominoParams self, _ostream s)
2399 show(DominoParams self)
2401 return _IMP_multifit.DominoParams_show(self, *args)
2403 max_value_threshold_ = _swig_property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set)
2404 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)
2405 max_anchor_penetration_ = _swig_property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set)
2406 heap_size_ = _swig_property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set)
2407 cache_size_ = _swig_property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set)
2410 """__str__(DominoParams self) -> std::string"""
2411 return _IMP_multifit.DominoParams___str__(self)
2415 """__repr__(DominoParams self) -> std::string"""
2416 return _IMP_multifit.DominoParams___repr__(self)
2418 __swig_destroy__ = _IMP_multifit.delete_DominoParams
2419 __del__ =
lambda self:
None
2420 DominoParams_swigregister = _IMP_multifit.DominoParams_swigregister
2421 DominoParams_swigregister(DominoParams)
2423 class XlinkParams(object):
2424 """Proxy of C++ IMP::multifit::XlinkParams class."""
2426 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2429 """__init__(IMP::multifit::XlinkParams self) -> XlinkParams"""
2430 this = _IMP_multifit.new_XlinkParams()
2432 self.this.append(this)
2437 """add(XlinkParams self, boost::property_tree::ptree const & pt)"""
2438 return _IMP_multifit.XlinkParams_add(self, pt)
2441 def show(self, *args):
2443 show(XlinkParams self, _ostream s)
2444 show(XlinkParams self)
2446 return _IMP_multifit.XlinkParams_show(self, *args)
2448 upper_bound_ = _swig_property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set)
2449 k_ = _swig_property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set)
2450 max_xlink_val_ = _swig_property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set)
2451 treat_between_residues_ = _swig_property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set)
2454 """__str__(XlinkParams self) -> std::string"""
2455 return _IMP_multifit.XlinkParams___str__(self)
2459 """__repr__(XlinkParams self) -> std::string"""
2460 return _IMP_multifit.XlinkParams___repr__(self)
2462 __swig_destroy__ = _IMP_multifit.delete_XlinkParams
2463 __del__ =
lambda self:
None
2464 XlinkParams_swigregister = _IMP_multifit.XlinkParams_swigregister
2465 XlinkParams_swigregister(XlinkParams)
2467 class ConnectivityParams(object):
2468 """Proxy of C++ IMP::multifit::ConnectivityParams class."""
2470 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2473 """__init__(IMP::multifit::ConnectivityParams self) -> ConnectivityParams"""
2474 this = _IMP_multifit.new_ConnectivityParams()
2476 self.this.append(this)
2481 """add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
2482 return _IMP_multifit.ConnectivityParams_add(self, pt)
2485 def show(self, *args):
2487 show(ConnectivityParams self, _ostream s)
2488 show(ConnectivityParams self)
2490 return _IMP_multifit.ConnectivityParams_show(self, *args)
2492 upper_bound_ = _swig_property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set)
2493 k_ = _swig_property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set)
2494 max_conn_rest_val_ = _swig_property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set)
2497 """__str__(ConnectivityParams self) -> std::string"""
2498 return _IMP_multifit.ConnectivityParams___str__(self)
2502 """__repr__(ConnectivityParams self) -> std::string"""
2503 return _IMP_multifit.ConnectivityParams___repr__(self)
2505 __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
2506 __del__ =
lambda self:
None
2507 ConnectivityParams_swigregister = _IMP_multifit.ConnectivityParams_swigregister
2508 ConnectivityParams_swigregister(ConnectivityParams)
2510 class FragmentsParams(object):
2511 """Proxy of C++ IMP::multifit::FragmentsParams class."""
2513 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2516 """__init__(IMP::multifit::FragmentsParams self) -> FragmentsParams"""
2517 this = _IMP_multifit.new_FragmentsParams()
2519 self.this.append(this)
2524 """add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
2525 return _IMP_multifit.FragmentsParams_add(self, pt)
2528 def show(self, *args):
2530 show(FragmentsParams self, _ostream s)
2531 show(FragmentsParams self)
2533 return _IMP_multifit.FragmentsParams_show(self, *args)
2535 frag_len_ = _swig_property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set)
2536 bead_radius_scale_ = _swig_property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set)
2537 load_atomic_ = _swig_property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set)
2538 subunit_rigid_ = _swig_property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set)
2541 """__str__(FragmentsParams self) -> std::string"""
2542 return _IMP_multifit.FragmentsParams___str__(self)
2546 """__repr__(FragmentsParams self) -> std::string"""
2547 return _IMP_multifit.FragmentsParams___repr__(self)
2549 __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
2550 __del__ =
lambda self:
None
2551 FragmentsParams_swigregister = _IMP_multifit.FragmentsParams_swigregister
2552 FragmentsParams_swigregister(FragmentsParams)
2554 class RogParams(object):
2555 """Proxy of C++ IMP::multifit::RogParams class."""
2557 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2560 """__init__(IMP::multifit::RogParams self) -> RogParams"""
2561 this = _IMP_multifit.new_RogParams()
2563 self.this.append(this)
2568 """add(RogParams self, boost::property_tree::ptree const & pt)"""
2569 return _IMP_multifit.RogParams_add(self, pt)
2572 def get_max_score(self):
2573 """get_max_score(RogParams self) -> float"""
2574 return _IMP_multifit.RogParams_get_max_score(self)
2577 def get_scale(self):
2578 """get_scale(RogParams self) -> float"""
2579 return _IMP_multifit.RogParams_get_scale(self)
2582 def show(self, *args):
2584 show(RogParams self, _ostream s)
2585 show(RogParams self)
2587 return _IMP_multifit.RogParams_show(self, *args)
2591 """__str__(RogParams self) -> std::string"""
2592 return _IMP_multifit.RogParams___str__(self)
2596 """__repr__(RogParams self) -> std::string"""
2597 return _IMP_multifit.RogParams___repr__(self)
2599 __swig_destroy__ = _IMP_multifit.delete_RogParams
2600 __del__ =
lambda self:
None
2601 RogParams_swigregister = _IMP_multifit.RogParams_swigregister
2602 RogParams_swigregister(RogParams)
2604 class EVParams(object):
2605 """Proxy of C++ IMP::multifit::EVParams class."""
2607 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2610 """__init__(IMP::multifit::EVParams self) -> EVParams"""
2611 this = _IMP_multifit.new_EVParams()
2613 self.this.append(this)
2618 """add(EVParams self, boost::property_tree::ptree const & pt)"""
2619 return _IMP_multifit.EVParams_add(self, pt)
2622 def show(self, *args):
2624 show(EVParams self, _ostream s)
2627 return _IMP_multifit.EVParams_show(self, *args)
2629 pair_distance_ = _swig_property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set)
2630 pair_slack_ = _swig_property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set)
2631 hlb_mean_ = _swig_property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set)
2632 hlb_k_ = _swig_property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set)
2633 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)
2634 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)
2635 scoring_mode_ = _swig_property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set)
2638 """__str__(EVParams self) -> std::string"""
2639 return _IMP_multifit.EVParams___str__(self)
2643 """__repr__(EVParams self) -> std::string"""
2644 return _IMP_multifit.EVParams___repr__(self)
2646 __swig_destroy__ = _IMP_multifit.delete_EVParams
2647 __del__ =
lambda self:
None
2648 EVParams_swigregister = _IMP_multifit.EVParams_swigregister
2649 EVParams_swigregister(EVParams)
2651 class FiltersParams(object):
2652 """Proxy of C++ IMP::multifit::FiltersParams class."""
2654 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2657 """__init__(IMP::multifit::FiltersParams self) -> FiltersParams"""
2658 this = _IMP_multifit.new_FiltersParams()
2660 self.this.append(this)
2665 """add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2666 return _IMP_multifit.FiltersParams_add(self, pt)
2669 def show(self, *args):
2671 show(FiltersParams self, _ostream s)
2672 show(FiltersParams self)
2674 return _IMP_multifit.FiltersParams_show(self, *args)
2676 max_num_violated_xlink_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set)
2677 max_num_violated_conn_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set)
2678 max_num_violated_ev_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set)
2681 """__str__(FiltersParams self) -> std::string"""
2682 return _IMP_multifit.FiltersParams___str__(self)
2686 """__repr__(FiltersParams self) -> std::string"""
2687 return _IMP_multifit.FiltersParams___repr__(self)
2689 __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2690 __del__ =
lambda self:
None
2691 FiltersParams_swigregister = _IMP_multifit.FiltersParams_swigregister
2692 FiltersParams_swigregister(FiltersParams)
2694 class FittingParams(object):
2695 """Proxy of C++ IMP::multifit::FittingParams class."""
2697 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2700 """__init__(IMP::multifit::FittingParams self) -> FittingParams"""
2701 this = _IMP_multifit.new_FittingParams()
2703 self.this.append(this)
2708 """add(FittingParams self, boost::property_tree::ptree const & pt)"""
2709 return _IMP_multifit.FittingParams_add(self, pt)
2712 def show(self, *args):
2714 show(FittingParams self, _ostream s)
2715 show(FittingParams self)
2717 return _IMP_multifit.FittingParams_show(self, *args)
2719 pca_max_angle_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set)
2720 pca_max_size_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set)
2721 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)
2722 max_asmb_fit_score_ = _swig_property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set)
2725 """__str__(FittingParams self) -> std::string"""
2726 return _IMP_multifit.FittingParams___str__(self)
2730 """__repr__(FittingParams self) -> std::string"""
2731 return _IMP_multifit.FittingParams___repr__(self)
2733 __swig_destroy__ = _IMP_multifit.delete_FittingParams
2734 __del__ =
lambda self:
None
2735 FittingParams_swigregister = _IMP_multifit.FittingParams_swigregister
2736 FittingParams_swigregister(FittingParams)
2738 class ComplementarityParams(object):
2739 """Proxy of C++ IMP::multifit::ComplementarityParams class."""
2741 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2744 """__init__(IMP::multifit::ComplementarityParams self) -> ComplementarityParams"""
2745 this = _IMP_multifit.new_ComplementarityParams()
2747 self.this.append(this)
2752 """add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2753 return _IMP_multifit.ComplementarityParams_add(self, pt)
2756 def show(self, *args):
2758 show(ComplementarityParams self, _ostream s)
2759 show(ComplementarityParams self)
2761 return _IMP_multifit.ComplementarityParams_show(self, *args)
2763 max_score_ = _swig_property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set)
2764 max_penetration_ = _swig_property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set)
2765 interior_layer_thickness_ = _swig_property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set)
2766 boundary_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set)
2767 comp_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set)
2768 penetration_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set)
2771 """__str__(ComplementarityParams self) -> std::string"""
2772 return _IMP_multifit.ComplementarityParams___str__(self)
2776 """__repr__(ComplementarityParams self) -> std::string"""
2777 return _IMP_multifit.ComplementarityParams___repr__(self)
2779 __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2780 __del__ =
lambda self:
None
2781 ComplementarityParams_swigregister = _IMP_multifit.ComplementarityParams_swigregister
2782 ComplementarityParams_swigregister(ComplementarityParams)
2784 class AlignmentParams(object):
2785 """Proxy of C++ IMP::multifit::AlignmentParams class."""
2787 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2789 def __init__(self, param_filename):
2790 """__init__(IMP::multifit::AlignmentParams self, char const * param_filename) -> AlignmentParams"""
2791 this = _IMP_multifit.new_AlignmentParams(param_filename)
2793 self.this.append(this)
2797 def get_domino_params(self):
2798 """get_domino_params(AlignmentParams self) -> DominoParams"""
2799 return _IMP_multifit.AlignmentParams_get_domino_params(self)
2802 def get_fitting_params(self):
2803 """get_fitting_params(AlignmentParams self) -> FittingParams"""
2804 return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2807 def get_complementarity_params(self):
2808 """get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2809 return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2812 def get_xlink_params(self):
2813 """get_xlink_params(AlignmentParams self) -> XlinkParams"""
2814 return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2817 def get_connectivity_params(self):
2818 """get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2819 return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2822 def get_rog_params(self):
2823 """get_rog_params(AlignmentParams self) -> RogParams"""
2824 return _IMP_multifit.AlignmentParams_get_rog_params(self)
2827 def get_fragments_params(self):
2828 """get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2829 return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2832 def get_filters_params(self):
2833 """get_filters_params(AlignmentParams self) -> FiltersParams"""
2834 return _IMP_multifit.AlignmentParams_get_filters_params(self)
2837 def get_ev_params(self):
2838 """get_ev_params(AlignmentParams self) -> EVParams"""
2839 return _IMP_multifit.AlignmentParams_get_ev_params(self)
2842 def show(self, *args):
2844 show(AlignmentParams self, _ostream s)
2845 show(AlignmentParams self)
2847 return _IMP_multifit.AlignmentParams_show(self, *args)
2851 """__str__(AlignmentParams self) -> std::string"""
2852 return _IMP_multifit.AlignmentParams___str__(self)
2856 """__repr__(AlignmentParams self) -> std::string"""
2857 return _IMP_multifit.AlignmentParams___repr__(self)
2859 __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2860 __del__ =
lambda self:
None
2861 AlignmentParams_swigregister = _IMP_multifit.AlignmentParams_swigregister
2862 AlignmentParams_swigregister(AlignmentParams)
2864 class ProteomicsEMAlignmentAtomic(
IMP.Object):
2865 """Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class."""
2867 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2869 def __init__(self, mapping_data, asmb_data, align_param):
2870 """__init__(IMP::multifit::ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2871 this = _IMP_multifit.new_ProteomicsEMAlignmentAtomic(mapping_data, asmb_data, align_param)
2873 self.this.append(this)
2878 """align(ProteomicsEMAlignmentAtomic self)"""
2879 return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2882 def add_all_restraints(self):
2883 """add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2884 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2887 def get_restraint_set(self):
2888 """get_restraint_set(ProteomicsEMAlignmentAtomic self) -> RestraintSet"""
2889 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_restraint_set(self)
2892 def add_states_and_filters(self):
2893 """add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2894 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2897 def show_domino_merge_tree(self):
2898 """show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2899 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2902 def get_combinations(self, uniques=False):
2904 get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments
2905 get_combinations(ProteomicsEMAlignmentAtomic self) -> IMP::domino::Assignments
2907 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2910 def set_density_map(self, dmap, threshold):
2911 """set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2912 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, dmap, threshold)
2915 def get_molecules(self):
2916 """get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2917 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2920 def get_rigid_bodies(self):
2921 """get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2922 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2925 def load_combination_of_states(self, state4particles):
2926 """load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2927 return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, state4particles)
2930 def show_scores_header(self, *args):
2932 show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous)
2933 show_scores_header(ProteomicsEMAlignmentAtomic self)
2935 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2938 def get_model(self):
2939 """get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2940 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2943 def set_fast_scoring(self, state):
2944 """set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2945 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, state)
2948 def get_version_info(self):
2949 """get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2950 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2954 """__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2955 return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2959 """__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2960 return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2965 return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2967 ProteomicsEMAlignmentAtomic_swigregister = _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister
2968 ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2972 """write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2973 return _IMP_multifit.write_connolly_surface(atoms, fn, density, probe_radius)
2975 """Proxy of C++ IMP::multifit::Ensemble class."""
2977 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2979 def load_combination(self, fit_comb):
2980 """load_combination(Ensemble self, IMP::Ints fit_comb)"""
2981 return _IMP_multifit.Ensemble_load_combination(self, fit_comb)
2984 def unload_combination(self, fit_comb):
2985 """unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2986 return _IMP_multifit.Ensemble_unload_combination(self, fit_comb)
2989 def add_component_and_fits(self, mh, fits):
2990 """add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2991 return _IMP_multifit.Ensemble_add_component_and_fits(self, mh, fits)
2994 def get_molecules(self):
2995 """get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2996 return _IMP_multifit.Ensemble_get_molecules(self)
2999 def get_rigid_bodies(self):
3000 """get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
3001 return _IMP_multifit.Ensemble_get_rigid_bodies(self)
3005 """get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
3006 return _IMP_multifit.Ensemble_get_rmsd(self, second_xyz)
3009 def __init__(self, sd, mapping_data):
3010 """__init__(IMP::multifit::Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
3011 this = _IMP_multifit.new_Ensemble(sd, mapping_data)
3013 self.this.append(this)
3017 def score_by_restraints(self, rs, combinations):
3018 """score_by_restraints(Ensemble self, IMP::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
3019 return _IMP_multifit.Ensemble_score_by_restraints(self, rs, combinations)
3022 def get_version_info(self):
3023 """get_version_info(Ensemble self) -> VersionInfo"""
3024 return _IMP_multifit.Ensemble_get_version_info(self)
3028 """__str__(Ensemble self) -> std::string"""
3029 return _IMP_multifit.Ensemble___str__(self)
3033 """__repr__(Ensemble self) -> std::string"""
3034 return _IMP_multifit.Ensemble___repr__(self)
3039 return _object_cast_to_Ensemble(o)
3041 Ensemble_swigregister = _IMP_multifit.Ensemble_swigregister
3042 Ensemble_swigregister(Ensemble)
3045 def load_ensemble(sd, mdl, mapping_data):
3046 """load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
3047 return _IMP_multifit.load_ensemble(sd, mdl, mapping_data)
3049 _all_commands = [
"param",
"anchors",
"fit_fft",
"cluster",
"add_fit_rmsd",
3050 "indexes",
"proteomics",
"align",
"models",
"transforms",
3051 "score",
"merge_tree",
"reference",
"refine_fft",
"segment"]
3054 def get_module_version():
3055 """get_module_version() -> std::string const"""
3056 return _IMP_multifit.get_module_version()
3059 """get_example_path(std::string fname) -> std::string"""
3060 return _IMP_multifit.get_example_path(fname)
3063 """get_data_path(std::string fname) -> std::string"""
3064 return _IMP_multifit.get_data_path(fname)
3066 from .
import _version_check
3067 _version_check.check_version(get_module_version())
3068 __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.
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::Particle *ap, Float dist)
prune solutions by distance to an anchor point
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
IntsList get_connected_components(em::DensityMap *dmap, float threshold, float edge_threshold)
Return connected components based on density values.
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
em::DensityMap * remove_background(em::DensityMap *dmap, float threshold, float edge_threshold)
Returns a map containing all density without the background.
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
multifit::SettingsData * get_partial_assembly_setting_data(multifit::SettingsData *prots_sd, const Strings &prot_names)
Get the assembly data for a few of the proteins.
Composable functors to implement scores via compile-time composition.
em::FittingSolutions pca_based_rigid_fitting(core::RigidBody rb, Refiner *rb_refiner, em::DensityMap *em_map, Float threshold, FloatKey wei_key=atom::Mass::get_mass_key(), algebra::PrincipalComponentAnalysis dens_pca_input=algebra::PrincipalComponentAnalysis())
Compute fitting scores for a given set of rigid transformations.
Code to compute statistical measures.
void add_surface_index(core::Hierarchy mhd, Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=core::XYZR::get_radius_key(), FloatKey weight_key=atom::Mass::get_mass_key())
Add shell index to leaves.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
void get_anchors_for_density(em::DensityMap *dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)
Generate anchors in several formats for a given density map.
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Basic utilities for handling cryo-electron microscopy 3D density maps.
void write_fitting_solutions(const char *fitting_fn, const FittingSolutionRecords &fit_sols, int num_sols=-1)
Write fitting solutions to a file.
ProteomicsData * read_proteomics_data(const char *proteomics_fn)
Proteomics reader.
IMP::Restraint * create_weighted_excluded_volume_restraint(core::RigidBody rb1, core::RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind"))
Create a weighted excluded volume restraint between two rigid bodies.
algebra::Vector3Ds get_points_close_to_molecule(const atom::Hierarchy &mh, const algebra::Vector3Ds points, Float max_dist)
void get_segmentation(em::DensityMap *dmap, double apix, double density_threshold, int num_means, const std::string pdb_filename, const std::string cmm_filename, const std::string seg_filename, const std::string txt_filename)
Segment a density map using the anchor graph.
void write_connolly_surface(atom::Atoms atoms, TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
multifit::FittingSolutionRecords fft_based_rigid_fitting(atom::Hierarchy mol2fit, em::DensityMap *dmap, double density_threshold, double angle_sampling_interval_rad)
FFT fit of a molecule in the density.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
IntsList read_paths(const char *txt_filename, int max_paths=INT_MAX)
Read paths.
FittingSolutionRecords read_fitting_solutions(const char *fitting_fn)
Fitting solutions reader.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for the RMF file format for storing hierarchical molecular data and markup.
Divide-and-conquer inferential optimization in discrete space.
A restraint is a term in an IMP ScoringFunction.
atom::Hierarchy create_coarse_molecule_from_density(em::DensityMap *dmap, float dens_threshold, int num_beads, Model *mdl, float bead_radius)
Coarsen a density map based on voxels clustering.