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_saxs', [dirname(__file__)])
28 _mod = imp.load_module(
'_IMP_saxs', fp, pathname, description)
32 _IMP_saxs = 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_SAXS_SwigPyIterator(object):
114 """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class"""
115 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
117 def __init__(self, *args, **kwargs):
118 raise AttributeError(
"No constructor defined - class is abstract")
119 __repr__ = _swig_repr
120 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
121 __del__ =
lambda self:
None
124 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
125 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
130 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
131 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
133 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
138 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
139 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
141 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
144 def distance(self, x):
145 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
146 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
150 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
151 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
155 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
156 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
160 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
161 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
165 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
166 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
170 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
171 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
174 def advance(self, n):
175 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
176 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
180 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
181 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
185 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
186 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
189 def __iadd__(self, n):
190 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
191 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
194 def __isub__(self, n):
195 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
196 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
199 def __add__(self, n):
200 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
201 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
204 def __sub__(self, *args):
206 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
207 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
209 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
213 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
214 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
222 _IMP_saxs.IMP_DEBUG_swigconstant(_IMP_saxs)
223 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
225 _IMP_saxs.IMP_RELEASE_swigconstant(_IMP_saxs)
226 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
228 _IMP_saxs.IMP_SILENT_swigconstant(_IMP_saxs)
229 IMP_SILENT = _IMP_saxs.IMP_SILENT
231 _IMP_saxs.IMP_PROGRESS_swigconstant(_IMP_saxs)
232 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
234 _IMP_saxs.IMP_TERSE_swigconstant(_IMP_saxs)
235 IMP_TERSE = _IMP_saxs.IMP_TERSE
237 _IMP_saxs.IMP_VERBOSE_swigconstant(_IMP_saxs)
238 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
240 _IMP_saxs.IMP_MEMORY_swigconstant(_IMP_saxs)
241 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
243 _IMP_saxs.IMP_NONE_swigconstant(_IMP_saxs)
244 IMP_NONE = _IMP_saxs.IMP_NONE
246 _IMP_saxs.IMP_USAGE_swigconstant(_IMP_saxs)
247 IMP_USAGE = _IMP_saxs.IMP_USAGE
249 _IMP_saxs.IMP_INTERNAL_swigconstant(_IMP_saxs)
250 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
252 _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_saxs)
253 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
255 _IMP_saxs.IMP_COMPILER_HAS_AUTO_swigconstant(_IMP_saxs)
256 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
258 _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_saxs)
259 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
261 _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
262 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
264 _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_saxs)
265 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
267 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_saxs)
268 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
270 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_saxs)
271 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
273 _IMP_saxs.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
274 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
276 class _DirectorObjects(object):
277 """@internal Simple class to keep references to director objects
278 to prevent premature deletion."""
281 def register(self, obj):
282 """Take a reference to a director object; will only work for
283 refcounted C++ classes"""
284 if hasattr(obj,
'get_ref_count'):
285 self._objects.append(obj)
287 """Only drop our reference and allow cleanup by Python if no other
288 Python references exist (we hold 3 references: one in self._objects,
289 one in x, and one in the argument list for getrefcount) *and* no
290 other C++ references exist (the Python object always holds one)"""
291 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
292 or x.get_ref_count() > 1]
296 def get_object_count(self):
297 """Get number of director objects (useful for testing only)"""
298 return len(self._objects)
299 _director_objects = _DirectorObjects()
301 class _ostream(object):
302 """Proxy of C++ std::ostream class"""
303 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
305 def __init__(self, *args, **kwargs):
306 raise AttributeError(
"No constructor defined")
307 __repr__ = _swig_repr
309 def write(self, osa_buf):
310 """write(_ostream self, char const * osa_buf)"""
311 return _IMP_saxs._ostream_write(self, osa_buf)
313 _ostream_swigregister = _IMP_saxs._ostream_swigregister
314 _ostream_swigregister(_ostream)
317 _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE_swigconstant(_IMP_saxs)
318 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
320 _IMP_saxs.IMP_COMPILER_HAS_FINAL_swigconstant(_IMP_saxs)
321 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
323 _IMP_saxs.IMP_HAS_NOEXCEPT_swigconstant(_IMP_saxs)
324 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
327 _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
328 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
330 _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
331 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
333 _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
334 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
336 _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
337 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
339 _IMP_saxs.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
340 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
343 _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
344 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
346 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
347 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
349 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
350 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
352 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
353 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
355 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
356 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
358 _IMP_saxs.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_saxs)
359 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
361 _IMP_saxs.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_saxs)
362 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
364 _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_saxs)
365 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
368 _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
369 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
371 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
372 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
374 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
375 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
377 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
378 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
380 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
381 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
383 _IMP_saxs.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_saxs)
384 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
386 _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_saxs)
387 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
390 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
391 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
393 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
394 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
396 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
397 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
399 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
400 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
402 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
403 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
405 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_saxs)
406 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
408 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_saxs)
409 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
411 _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_saxs)
412 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
415 _IMP_saxs.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
416 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
418 _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
419 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
421 _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
422 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
424 _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
425 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
427 _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
428 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
430 _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
431 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
433 _IMP_saxs.IMP_CORE_HAS_CGAL_swigconstant(_IMP_saxs)
434 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
436 _IMP_saxs.IMP_CORE_HAS_HDF5_swigconstant(_IMP_saxs)
437 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
439 _IMP_saxs.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_saxs)
440 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
443 _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_saxs)
444 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
446 _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
447 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
449 _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
450 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
452 _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
453 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
455 _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
456 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
458 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
459 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
461 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
462 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
464 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
465 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
467 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
468 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
470 _IMP_saxs.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_saxs)
471 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
473 _IMP_saxs.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_saxs)
474 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
476 _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_saxs)
477 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
480 _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
481 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
483 _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
484 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
486 _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
487 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
489 _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
490 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
492 _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
493 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
495 _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
496 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
498 _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
499 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
501 _IMP_saxs.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_saxs)
502 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
504 _IMP_saxs.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_saxs)
505 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
507 _IMP_saxs.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_saxs)
508 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
510 _IMP_saxs.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_saxs)
511 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
513 _IMP_saxs.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_saxs)
514 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
516 _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_saxs)
517 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
520 _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
521 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
523 _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER_swigconstant(_IMP_saxs)
524 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
526 _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
527 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
529 _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
530 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
532 _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
533 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
535 _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
536 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
538 _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
539 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
541 _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
542 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
544 _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
545 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
547 _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
548 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
550 _IMP_saxs.IMP_SAXS_HAS_CGAL_swigconstant(_IMP_saxs)
551 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
553 _IMP_saxs.IMP_SAXS_HAS_HDF5_swigconstant(_IMP_saxs)
554 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
556 _IMP_saxs.IMPSAXS_SHOW_WARNINGS_swigconstant(_IMP_saxs)
557 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
558 class DistBase(object):
559 """Proxy of C++ std::vector<(double)> class"""
560 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
561 __repr__ = _swig_repr
564 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
565 return _IMP_saxs.DistBase_iterator(self)
568 return self.iterator()
570 def __nonzero__(self):
571 """__nonzero__(DistBase self) -> bool"""
572 return _IMP_saxs.DistBase___nonzero__(self)
576 """__bool__(DistBase self) -> bool"""
577 return _IMP_saxs.DistBase___bool__(self)
581 """__len__(DistBase self) -> std::vector< double >::size_type"""
582 return _IMP_saxs.DistBase___len__(self)
586 """pop(DistBase self) -> std::vector< double >::value_type"""
587 return _IMP_saxs.DistBase_pop(self)
590 def __getslice__(self, i, j):
591 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
592 return _IMP_saxs.DistBase___getslice__(self, i, j)
595 def __setslice__(self, *args):
597 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
598 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
600 return _IMP_saxs.DistBase___setslice__(self, *args)
603 def __delslice__(self, i, j):
604 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
605 return _IMP_saxs.DistBase___delslice__(self, i, j)
608 def __delitem__(self, *args):
610 __delitem__(DistBase self, std::vector< double >::difference_type i)
611 __delitem__(DistBase self, PySliceObject * slice)
613 return _IMP_saxs.DistBase___delitem__(self, *args)
616 def __getitem__(self, *args):
618 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
619 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
621 return _IMP_saxs.DistBase___getitem__(self, *args)
624 def __setitem__(self, *args):
626 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
627 __setitem__(DistBase self, PySliceObject * slice)
628 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
630 return _IMP_saxs.DistBase___setitem__(self, *args)
634 """append(DistBase self, std::vector< double >::value_type const & x)"""
635 return _IMP_saxs.DistBase_append(self, x)
639 """empty(DistBase self) -> bool"""
640 return _IMP_saxs.DistBase_empty(self)
644 """size(DistBase self) -> std::vector< double >::size_type"""
645 return _IMP_saxs.DistBase_size(self)
649 """clear(DistBase self)"""
650 return _IMP_saxs.DistBase_clear(self)
654 """swap(DistBase self, DistBase v)"""
655 return _IMP_saxs.DistBase_swap(self, v)
658 def get_allocator(self):
659 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
660 return _IMP_saxs.DistBase_get_allocator(self)
664 """begin(DistBase self) -> std::vector< double >::iterator"""
665 return _IMP_saxs.DistBase_begin(self)
669 """end(DistBase self) -> std::vector< double >::iterator"""
670 return _IMP_saxs.DistBase_end(self)
674 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
675 return _IMP_saxs.DistBase_rbegin(self)
679 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
680 return _IMP_saxs.DistBase_rend(self)
684 """pop_back(DistBase self)"""
685 return _IMP_saxs.DistBase_pop_back(self)
688 def erase(self, *args):
690 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
691 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
693 return _IMP_saxs.DistBase_erase(self, *args)
696 def __init__(self, *args):
698 __init__(std::vector<(double)> self) -> DistBase
699 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
700 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
701 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
703 this = _IMP_saxs.new_DistBase(*args)
705 self.this.append(this)
709 def push_back(self, x):
710 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
711 return _IMP_saxs.DistBase_push_back(self, x)
715 """front(DistBase self) -> std::vector< double >::value_type const &"""
716 return _IMP_saxs.DistBase_front(self)
720 """back(DistBase self) -> std::vector< double >::value_type const &"""
721 return _IMP_saxs.DistBase_back(self)
724 def assign(self, n, x):
725 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
726 return _IMP_saxs.DistBase_assign(self, n, x)
729 def resize(self, *args):
731 resize(DistBase self, std::vector< double >::size_type new_size)
732 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
734 return _IMP_saxs.DistBase_resize(self, *args)
737 def insert(self, *args):
739 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
740 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
742 return _IMP_saxs.DistBase_insert(self, *args)
745 def reserve(self, n):
746 """reserve(DistBase self, std::vector< double >::size_type n)"""
747 return _IMP_saxs.DistBase_reserve(self, n)
751 """capacity(DistBase self) -> std::vector< double >::size_type"""
752 return _IMP_saxs.DistBase_capacity(self)
754 __swig_destroy__ = _IMP_saxs.delete_DistBase
755 __del__ =
lambda self:
None
756 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
757 DistBase_swigregister(DistBase)
759 _object_types.append(
"Profile")
762 def _object_cast_to_Profile(o):
763 """_object_cast_to_Profile(Object o) -> Profile"""
764 return _IMP_saxs._object_cast_to_Profile(o)
765 _object_types.append(
"ChiScore")
768 def _object_cast_to_ChiScore(o):
769 """_object_cast_to_ChiScore(Object o) -> ChiScore"""
770 return _IMP_saxs._object_cast_to_ChiScore(o)
771 _object_types.append(
"ChiScoreLog")
774 def _object_cast_to_ChiScoreLog(o):
775 """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
776 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
778 _IMP_saxs.ALL_ATOMS_swigconstant(_IMP_saxs)
779 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
781 _IMP_saxs.HEAVY_ATOMS_swigconstant(_IMP_saxs)
782 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
784 _IMP_saxs.CA_ATOMS_swigconstant(_IMP_saxs)
785 CA_ATOMS = _IMP_saxs.CA_ATOMS
786 class FormFactorTable(object):
787 """Proxy of C++ IMP::saxs::FormFactorTable class"""
788 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
789 __repr__ = _swig_repr
791 def __init__(self, *args):
793 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
794 __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
796 this = _IMP_saxs.new_FormFactorTable(*args)
798 self.this.append(this)
802 def get_form_factor(self, *args):
804 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
805 get_form_factor(FormFactorTable self, Particle p) -> double
807 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
810 def get_vacuum_form_factor(self, *args):
812 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
813 get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
815 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
818 def get_dummy_form_factor(self, *args):
820 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
821 get_dummy_form_factor(FormFactorTable self, Particle p) -> double
823 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
826 def get_water_form_factor(self):
827 """get_water_form_factor(FormFactorTable self) -> double"""
828 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
831 def get_vacuum_water_form_factor(self):
832 """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
833 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
836 def get_dummy_water_form_factor(self):
837 """get_dummy_water_form_factor(FormFactorTable self) -> double"""
838 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
841 def get_form_factors(self, *args):
843 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
844 get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
846 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
849 def get_vacuum_form_factors(self, *args):
851 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
852 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
854 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
857 def get_dummy_form_factors(self, *args):
859 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
860 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
862 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
865 def get_water_form_factors(self):
866 """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
867 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
870 def get_water_vacuum_form_factors(self):
871 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
872 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
875 def get_water_dummy_form_factors(self):
876 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
877 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
880 def get_radius(self, *args):
882 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
883 get_radius(FormFactorTable self, Particle p) -> double
885 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
890 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
891 get_volume(FormFactorTable self, Particle p) -> double
893 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
896 def show(self, *args):
898 show(FormFactorTable self, _ostream out, std::string prefix)
899 show(FormFactorTable self, _ostream out)
900 show(FormFactorTable self)
902 return _IMP_saxs.FormFactorTable_show(self, *args)
904 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
905 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
906 __del__ =
lambda self:
None
907 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
908 FormFactorTable_swigregister(FormFactorTable)
909 cvar = _IMP_saxs.cvar
913 """get_default_form_factor_table() -> FormFactorTable"""
914 return _IMP_saxs.get_default_form_factor_table()
916 """Proxy of C++ IMP::saxs::Profile class"""
917 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
919 def __init__(self, *args):
921 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
922 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
923 __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
924 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
925 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
926 __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
927 __init__(IMP::saxs::Profile self) -> Profile
929 this = _IMP_saxs.new_Profile(*args)
931 self.this.append(this)
935 def calculate_profile_partial(self, *args):
937 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
938 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
939 calculate_profile_partial(Profile self, IMP::Particles const & particles)
940 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2, IMP::saxs::FormFactorType ff_type)
941 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
942 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
943 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
945 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
948 def calculate_profile_reciprocal_partial(self, *args):
950 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
951 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
952 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
954 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
957 def calculate_profile(self, *args):
959 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
960 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
961 calculate_profile(Profile self, IMP::Particles const & particles)
962 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
963 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
965 return _IMP_saxs.Profile_calculate_profile(self, *args)
968 def calculate_I0(self, *args):
970 calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
971 calculate_I0(Profile self, IMP::Particles const & particles) -> double
973 return _IMP_saxs.Profile_calculate_I0(self, *args)
976 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
978 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
979 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
981 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
984 def calculate_profile_symmetric(self, *args):
986 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
987 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
989 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
992 def profile_2_distribution(self, rd, max_distance):
993 """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
994 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
997 def distribution_2_profile(self, r_dist):
998 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
999 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
1002 def resample(self, exp_profile, resampled_profile):
1003 """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
1004 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
1007 def downsample(self, downsampled_profile, point_number):
1008 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
1009 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
1014 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
1015 radius_of_gyration(Profile self) -> double
1017 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
1020 def mean_intensity(self):
1021 """mean_intensity(Profile self) -> double"""
1022 return _IMP_saxs.Profile_mean_intensity(self)
1025 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0):
1027 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
1028 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
1029 read_SAXS_file(Profile self, std::string const & file_name)
1031 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q)
1034 def write_SAXS_file(self, file_name, max_q=0.0):
1036 write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
1037 write_SAXS_file(Profile self, std::string const & file_name)
1039 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
1042 def read_partial_profiles(self, file_name):
1043 """read_partial_profiles(Profile self, std::string const & file_name)"""
1044 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
1047 def write_partial_profiles(self, file_name):
1048 """write_partial_profiles(Profile self, std::string const & file_name)"""
1049 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
1052 def get_delta_q(self):
1053 """get_delta_q(Profile self) -> double"""
1054 return _IMP_saxs.Profile_get_delta_q(self)
1057 def get_min_q(self):
1058 """get_min_q(Profile self) -> double"""
1059 return _IMP_saxs.Profile_get_min_q(self)
1062 def get_max_q(self):
1063 """get_max_q(Profile self) -> double"""
1064 return _IMP_saxs.Profile_get_max_q(self)
1067 def get_intensity(self, i):
1068 """get_intensity(Profile self, unsigned int i) -> double"""
1069 return _IMP_saxs.Profile_get_intensity(self, i)
1073 """get_q(Profile self, unsigned int i) -> double"""
1074 return _IMP_saxs.Profile_get_q(self, i)
1077 def get_error(self, i):
1078 """get_error(Profile self, unsigned int i) -> double"""
1079 return _IMP_saxs.Profile_get_error(self, i)
1082 def get_weight(self, i):
1083 """get_weight(Profile self, unsigned int i) -> double"""
1084 return _IMP_saxs.Profile_get_weight(self, i)
1088 """get_qs(Profile self) -> IMP_Eigen::VectorXf const &"""
1089 return _IMP_saxs.Profile_get_qs(self)
1092 def get_intensities(self):
1093 """get_intensities(Profile self) -> IMP_Eigen::VectorXf const &"""
1094 return _IMP_saxs.Profile_get_intensities(self)
1097 def get_errors(self):
1098 """get_errors(Profile self) -> IMP_Eigen::VectorXf const &"""
1099 return _IMP_saxs.Profile_get_errors(self)
1102 def get_average_radius(self):
1103 """get_average_radius(Profile self) -> double"""
1104 return _IMP_saxs.Profile_get_average_radius(self)
1108 """size(Profile self) -> unsigned int"""
1109 return _IMP_saxs.Profile_size(self)
1112 def is_uniform_sampling(self):
1113 """is_uniform_sampling(Profile self) -> bool"""
1114 return _IMP_saxs.Profile_is_uniform_sampling(self)
1117 def is_partial_profile(self):
1118 """is_partial_profile(Profile self) -> bool"""
1119 return _IMP_saxs.Profile_is_partial_profile(self)
1123 """get_name(Profile self) -> std::string"""
1124 return _IMP_saxs.Profile_get_name(self)
1128 """get_id(Profile self) -> unsigned int"""
1129 return _IMP_saxs.Profile_get_id(self)
1132 def set_qs(self, q):
1133 """set_qs(Profile self, IMP_Eigen::VectorXf const & q)"""
1134 return _IMP_saxs.Profile_set_qs(self, q)
1137 def set_intensities(self, i):
1138 """set_intensities(Profile self, IMP_Eigen::VectorXf const & i)"""
1139 return _IMP_saxs.Profile_set_intensities(self, i)
1142 def set_errors(self, e):
1143 """set_errors(Profile self, IMP_Eigen::VectorXf const & e)"""
1144 return _IMP_saxs.Profile_set_errors(self, e)
1147 def set_intensity(self, i, iq):
1148 """set_intensity(Profile self, unsigned int i, double iq)"""
1149 return _IMP_saxs.Profile_set_intensity(self, i, iq)
1152 def set_ff_table(self, ff_table):
1153 """set_ff_table(Profile self, FormFactorTable ff_table)"""
1154 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
1157 def set_average_radius(self, r):
1158 """set_average_radius(Profile self, double r)"""
1159 return _IMP_saxs.Profile_set_average_radius(self, r)
1162 def set_average_volume(self, v):
1163 """set_average_volume(Profile self, double v)"""
1164 return _IMP_saxs.Profile_set_average_volume(self, v)
1167 def set_name(self, name):
1168 """set_name(Profile self, std::string name)"""
1169 return _IMP_saxs.Profile_set_name(self, name)
1172 def set_id(self, id):
1173 """set_id(Profile self, unsigned int id)"""
1174 return _IMP_saxs.Profile_set_id(self, id)
1177 def set_beam_profile(self, beam_profile_file):
1178 """set_beam_profile(Profile self, std::string beam_profile_file)"""
1179 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
1182 def add_errors(self):
1183 """add_errors(Profile self)"""
1184 return _IMP_saxs.Profile_add_errors(self)
1187 def add_noise(self, percentage=0.03):
1189 add_noise(Profile self, double percentage=0.03)
1190 add_noise(Profile self)
1192 return _IMP_saxs.Profile_add_noise(self, percentage)
1195 def sum_partial_profiles(self, c1, c2, check_cashed=True):
1197 sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1198 sum_partial_profiles(Profile self, double c1, double c2)
1200 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1203 def add(self, *args):
1205 add(Profile self, Profile other_profile, double weight=1.0)
1206 add(Profile self, Profile other_profile)
1207 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1208 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1210 return _IMP_saxs.Profile_add(self, *args)
1213 def add_partial_profiles(self, *args):
1215 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1216 add_partial_profiles(Profile self, Profile other_profile)
1217 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1218 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1220 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1223 def background_adjust(self, start_q):
1224 """background_adjust(Profile self, double start_q)"""
1225 return _IMP_saxs.Profile_background_adjust(self, start_q)
1229 """scale(Profile self, double c)"""
1230 return _IMP_saxs.Profile_scale(self, c)
1233 def offset(self, c):
1234 """offset(Profile self, double c)"""
1235 return _IMP_saxs.Profile_offset(self, c)
1238 def copy_errors(self, exp_profile):
1239 """copy_errors(Profile self, Profile exp_profile)"""
1240 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1243 def get_version_info(self):
1244 """get_version_info(Profile self) -> VersionInfo"""
1245 return _IMP_saxs.Profile_get_version_info(self)
1249 """__str__(Profile self) -> std::string"""
1250 return _IMP_saxs.Profile___str__(self)
1254 """__repr__(Profile self) -> std::string"""
1255 return _IMP_saxs.Profile___repr__(self)
1258 return _object_cast_to_Profile(o)
1259 get_from = staticmethod(get_from)
1261 Profile_swigregister = _IMP_saxs.Profile_swigregister
1262 Profile_swigregister(Profile)
1263 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1265 class FitParameters(object):
1266 """Proxy of C++ IMP::saxs::FitParameters class"""
1267 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1268 __repr__ = _swig_repr
1270 def __init__(self, *args):
1272 __init__(IMP::saxs::FitParameters self) -> FitParameters
1273 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2, double c, double o) -> FitParameters
1274 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2) -> FitParameters
1276 this = _IMP_saxs.new_FitParameters(*args)
1278 self.this.append(this)
1282 def get_score(self):
1283 """get_score(FitParameters self) -> double"""
1284 return _IMP_saxs.FitParameters_get_score(self)
1288 """get_chi(FitParameters self) -> double"""
1289 return _IMP_saxs.FitParameters_get_chi(self)
1293 """get_c1(FitParameters self) -> double"""
1294 return _IMP_saxs.FitParameters_get_c1(self)
1298 """get_c2(FitParameters self) -> double"""
1299 return _IMP_saxs.FitParameters_get_c2(self)
1302 def get_scale(self):
1303 """get_scale(FitParameters self) -> double"""
1304 return _IMP_saxs.FitParameters_get_scale(self)
1307 def get_offset(self):
1308 """get_offset(FitParameters self) -> double"""
1309 return _IMP_saxs.FitParameters_get_offset(self)
1312 def get_default_chi(self):
1313 """get_default_chi(FitParameters self) -> double"""
1314 return _IMP_saxs.FitParameters_get_default_chi(self)
1317 def get_pdb_file_name(self):
1318 """get_pdb_file_name(FitParameters self) -> std::string"""
1319 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1322 def get_profile_file_name(self):
1323 """get_profile_file_name(FitParameters self) -> std::string"""
1324 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1327 def get_mol_index(self):
1328 """get_mol_index(FitParameters self) -> int"""
1329 return _IMP_saxs.FitParameters_get_mol_index(self)
1332 def set_chi(self, chi):
1333 """set_chi(FitParameters self, double chi)"""
1334 return _IMP_saxs.FitParameters_set_chi(self, chi)
1337 def set_default_chi(self, chi):
1338 """set_default_chi(FitParameters self, double chi)"""
1339 return _IMP_saxs.FitParameters_set_default_chi(self, chi)
1342 def set_profile_file_name(self, file_name):
1343 """set_profile_file_name(FitParameters self, std::string file_name)"""
1344 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1347 def set_pdb_file_name(self, file_name):
1348 """set_pdb_file_name(FitParameters self, std::string file_name)"""
1349 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1352 def set_mol_index(self, index):
1353 """set_mol_index(FitParameters self, int index)"""
1354 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1358 """show(FitParameters self, _ostream s)"""
1359 return _IMP_saxs.FitParameters_show(self, s)
1361 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1362 __del__ =
lambda self:
None
1363 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1364 FitParameters_swigregister(FitParameters)
1366 class WeightedFitParameters(FitParameters):
1367 """Proxy of C++ IMP::saxs::WeightedFitParameters class"""
1368 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1369 __repr__ = _swig_repr
1371 def __init__(self, *args):
1373 __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1374 __init__(IMP::saxs::WeightedFitParameters self, double chi, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1376 this = _IMP_saxs.new_WeightedFitParameters(*args)
1378 self.this.append(this)
1382 def get_weights(self):
1383 """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1384 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1387 def set_weights(self, weights):
1388 """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1389 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1393 """show(WeightedFitParameters self, _ostream s)"""
1394 return _IMP_saxs.WeightedFitParameters_show(self, s)
1396 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1397 __del__ =
lambda self:
None
1398 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1399 WeightedFitParameters_swigregister(WeightedFitParameters)
1402 """Proxy of C++ IMP::saxs::ChiScore class"""
1403 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1406 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1407 this = _IMP_saxs.new_ChiScore()
1409 self.this.append(this)
1413 def compute_score(self, exp_profile, model_profile, use_offset=False):
1415 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1416 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1418 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1421 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1423 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1424 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1426 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1429 def compute_offset(self, exp_profile, model_profile):
1430 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1431 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1434 def get_version_info(self):
1435 """get_version_info(ChiScore self) -> VersionInfo"""
1436 return _IMP_saxs.ChiScore_get_version_info(self)
1440 """__str__(ChiScore self) -> std::string"""
1441 return _IMP_saxs.ChiScore___str__(self)
1445 """__repr__(ChiScore self) -> std::string"""
1446 return _IMP_saxs.ChiScore___repr__(self)
1449 return _object_cast_to_ChiScore(o)
1450 get_from = staticmethod(get_from)
1452 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1453 ChiScore_swigregister(ChiScore)
1456 """Proxy of C++ IMP::saxs::ChiScoreLog class"""
1457 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1460 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1461 this = _IMP_saxs.new_ChiScoreLog()
1463 self.this.append(this)
1467 def compute_score(self, *args):
1469 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1470 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1471 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1473 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1476 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1478 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1479 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1481 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1484 def compute_offset(self, exp_profile, model_profile):
1485 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1486 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1489 def get_version_info(self):
1490 """get_version_info(ChiScoreLog self) -> VersionInfo"""
1491 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1495 """__str__(ChiScoreLog self) -> std::string"""
1496 return _IMP_saxs.ChiScoreLog___str__(self)
1500 """__repr__(ChiScoreLog self) -> std::string"""
1501 return _IMP_saxs.ChiScoreLog___repr__(self)
1504 return _object_cast_to_ChiScoreLog(o)
1505 get_from = staticmethod(get_from)
1507 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1508 ChiScoreLog_swigregister(ChiScoreLog)
1511 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class"""
1512 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1513 __repr__ = _swig_repr
1515 def __init__(self, *args):
1517 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1518 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1520 this = _IMP_saxs.new_ProfileFitterChi(*args)
1522 self.this.append(this)
1526 def compute_score(self, *args):
1528 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1529 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1530 compute_score(ProfileFitterChi self, Profile model_profile) -> double
1532 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1535 def fit_profile(self, *args):
1537 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1538 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1539 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1540 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1541 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1542 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1543 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1545 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1548 def compute_scale_factor(self, model_profile, offset=0.0):
1550 compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1551 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1553 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1556 def compute_offset(self, model_profile):
1557 """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1558 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1561 def resample(self, model_profile, resampled_profile):
1562 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1563 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1566 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1568 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1569 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1570 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1572 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1574 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1575 __del__ =
lambda self:
None
1576 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1577 ProfileFitterChi_swigregister(ProfileFitterChi)
1579 class WeightedProfileFitterChi(ProfileFitterChi):
1580 """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class"""
1581 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1582 __repr__ = _swig_repr
1584 def __init__(self, exp_profile):
1585 """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1586 this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1588 self.this.append(this)
1592 def compute_score(self, profiles, weights, NNLS=True):
1594 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool NNLS=True) -> double
1595 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1597 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, NNLS)
1600 def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0):
1602 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> WeightedFitParameters
1603 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> WeightedFitParameters
1604 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1605 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1606 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1608 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2)
1611 def write_fit_file(self, partial_profiles, fp, fit_file_name):
1612 """write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)"""
1613 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name)
1615 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1616 __del__ =
lambda self:
None
1617 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1618 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1621 """Proxy of C++ IMP::saxs::Restraint class"""
1622 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1623 __repr__ = _swig_repr
1625 def __init__(self, *args):
1627 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1628 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1630 this = _IMP_saxs.new_Restraint(*args)
1632 self.this.append(this)
1635 if self.__class__ != Restraint:
1636 _director_objects.register(self)
1641 def do_get_inputs(self):
1642 """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1643 return _IMP_saxs.Restraint_do_get_inputs(self)
1646 def get_version_info(self):
1647 """get_version_info(Restraint self) -> VersionInfo"""
1648 return _IMP_saxs.Restraint_get_version_info(self)
1650 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1651 Restraint_swigregister(Restraint)
1653 class RadiusOfGyrationRestraint(Restraint):
1654 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class"""
1655 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1656 __repr__ = _swig_repr
1658 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1660 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1661 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1663 this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1665 self.this.append(this)
1668 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1669 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1671 class FloatDistribution(DistBase):
1672 """Proxy of C++ IMP::saxs::Distribution<(double)> class"""
1673 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1674 __repr__ = _swig_repr
1676 def __init__(self, *args):
1678 __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1679 __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1681 this = _IMP_saxs.new_FloatDistribution(*args)
1683 self.this.append(this)
1687 def get_max_distance(self):
1688 """get_max_distance(FloatDistribution self) -> double"""
1689 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1692 def get_bin_size(self):
1693 """get_bin_size(FloatDistribution self) -> double"""
1694 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1697 def get_index_from_distance(self, dist):
1698 """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1699 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1702 def get_distance_from_index(self, index):
1703 """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1704 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1706 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1707 __del__ =
lambda self:
None
1708 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1709 FloatDistribution_swigregister(FloatDistribution)
1711 class VectorDistribution(object):
1712 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class"""
1713 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1714 __repr__ = _swig_repr
1716 def __init__(self, *args):
1718 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1719 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1721 this = _IMP_saxs.new_VectorDistribution(*args)
1723 self.this.append(this)
1727 def get_max_distance(self):
1728 """get_max_distance(VectorDistribution self) -> double"""
1729 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1732 def get_bin_size(self):
1733 """get_bin_size(VectorDistribution self) -> double"""
1734 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1737 def get_index_from_distance(self, dist):
1738 """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1739 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1742 def get_distance_from_index(self, index):
1743 """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1744 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1746 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1747 __del__ =
lambda self:
None
1748 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1749 VectorDistribution_swigregister(VectorDistribution)
1751 class RadialDistributionFunction(FloatDistribution):
1752 """Proxy of C++ IMP::saxs::RadialDistributionFunction class"""
1753 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1754 __repr__ = _swig_repr
1756 def __init__(self, *args):
1758 __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1759 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1760 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1762 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1764 self.this.append(this)
1769 """scale(RadialDistributionFunction self, double c)"""
1770 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1773 def add(self, model_pr):
1774 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1775 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1778 def show(self, *args):
1780 show(RadialDistributionFunction self, _ostream out)
1781 show(RadialDistributionFunction self)
1783 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1786 def R_factor_score(self, *args):
1788 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1789 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1791 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1794 def fit(self, *args):
1796 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1797 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1799 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1802 def normalize(self):
1803 """normalize(RadialDistributionFunction self)"""
1804 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1807 def add_to_distribution(self, dist, value):
1808 """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1809 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1811 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1812 __del__ =
lambda self:
None
1813 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1814 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1816 class DeltaDistributionFunction(VectorDistribution):
1817 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class"""
1818 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1819 __repr__ = _swig_repr
1821 def __init__(self, *args):
1823 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1824 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1825 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1827 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1829 self.this.append(this)
1833 def calculate_derivative_distribution(self, particle):
1834 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1835 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1838 def show(self, *args):
1840 show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1841 show(DeltaDistributionFunction self, _ostream out)
1842 show(DeltaDistributionFunction self)
1844 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1846 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1847 __del__ =
lambda self:
None
1848 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1849 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1851 class SolventAccessibleSurface(object):
1852 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class"""
1853 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1854 __repr__ = _swig_repr
1856 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1858 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1859 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1860 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1862 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1866 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1867 this = _IMP_saxs.new_SolventAccessibleSurface()
1869 self.this.append(this)
1872 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1873 __del__ =
lambda self:
None
1874 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1875 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1878 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class"""
1879 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1880 __repr__ = _swig_repr
1882 def __init__(self, *args):
1884 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1885 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1887 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1889 self.this.append(this)
1893 def compute_score(self, *args):
1895 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1896 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1897 compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1899 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1902 def fit_profile(self, *args):
1904 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1905 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1906 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1907 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1908 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1909 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1910 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1912 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1915 def compute_scale_factor(self, model_profile, offset=0.0):
1917 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1918 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1920 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1923 def compute_offset(self, model_profile):
1924 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1925 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1928 def resample(self, model_profile, resampled_profile):
1929 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1930 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1933 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1935 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1936 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1937 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1939 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1941 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1942 __del__ =
lambda self:
None
1943 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1944 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1946 class ProfileFitterRatioVolatility(
IMP.Object):
1947 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class"""
1948 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1949 __repr__ = _swig_repr
1951 def __init__(self, *args):
1953 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1954 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1956 this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1958 self.this.append(this)
1962 def compute_score(self, *args):
1964 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1965 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1966 compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1968 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1971 def fit_profile(self, *args):
1973 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1974 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1975 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1976 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1977 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1978 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1979 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
1981 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1984 def compute_scale_factor(self, model_profile, offset=0.0):
1986 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
1987 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1989 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1992 def compute_offset(self, model_profile):
1993 """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1994 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1997 def resample(self, model_profile, resampled_profile):
1998 """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1999 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
2002 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
2004 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
2005 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
2006 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
2008 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
2010 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
2011 __del__ =
lambda self:
None
2012 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
2013 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
2016 def get_module_version():
2017 """get_module_version() -> std::string const"""
2018 return _IMP_saxs.get_module_version()
2021 """get_example_path(std::string fname) -> std::string"""
2022 return _IMP_saxs.get_example_path(fname)
2025 """get_data_path(std::string fname) -> std::string"""
2026 return _IMP_saxs.get_data_path(fname)
2027 from .
import _version_check
2028 _version_check.check_version(get_module_version())
2029 __version__ = get_module_version()
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
FormFactorTable * get_default_form_factor_table()
Composable functors to implement scores via compile-time composition.
double get_volume(const BoundingBoxD< D > &bb)
Common base class for heavy weight IMP objects.
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...
void show(Hierarchy h, std::ostream &out=std::cout)
Print out a molecular hierarchy.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
A restraint is a term in an IMP ScoringFunction.