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)
223 _IMP_saxs.IMP_DEBUG_swigconstant(_IMP_saxs)
224 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
226 _IMP_saxs.IMP_RELEASE_swigconstant(_IMP_saxs)
227 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
229 _IMP_saxs.IMP_SILENT_swigconstant(_IMP_saxs)
230 IMP_SILENT = _IMP_saxs.IMP_SILENT
232 _IMP_saxs.IMP_PROGRESS_swigconstant(_IMP_saxs)
233 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
235 _IMP_saxs.IMP_TERSE_swigconstant(_IMP_saxs)
236 IMP_TERSE = _IMP_saxs.IMP_TERSE
238 _IMP_saxs.IMP_VERBOSE_swigconstant(_IMP_saxs)
239 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
241 _IMP_saxs.IMP_MEMORY_swigconstant(_IMP_saxs)
242 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
244 _IMP_saxs.IMP_NONE_swigconstant(_IMP_saxs)
245 IMP_NONE = _IMP_saxs.IMP_NONE
247 _IMP_saxs.IMP_USAGE_swigconstant(_IMP_saxs)
248 IMP_USAGE = _IMP_saxs.IMP_USAGE
250 _IMP_saxs.IMP_INTERNAL_swigconstant(_IMP_saxs)
251 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
253 _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_saxs)
254 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
256 _IMP_saxs.IMP_COMPILER_HAS_AUTO_swigconstant(_IMP_saxs)
257 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
259 _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_saxs)
260 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
262 _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR_swigconstant(_IMP_saxs)
263 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR
265 _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
266 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
268 _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_saxs)
269 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
271 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_saxs)
272 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
274 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_saxs)
275 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
277 _IMP_saxs.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
278 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
281 class _DirectorObjects(object):
282 """@internal Simple class to keep references to director objects
283 to prevent premature deletion."""
286 def register(self, obj):
287 """Take a reference to a director object; will only work for
288 refcounted C++ classes"""
289 if hasattr(obj,
'get_ref_count'):
290 self._objects.append(obj)
292 """Only drop our reference and allow cleanup by Python if no other
293 Python references exist (we hold 3 references: one in self._objects,
294 one in x, and one in the argument list for getrefcount) *and* no
295 other C++ references exist (the Python object always holds one)"""
296 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
297 or x.get_ref_count() > 1]
301 def get_object_count(self):
302 """Get number of director objects (useful for testing only)"""
303 return len(self._objects)
304 _director_objects = _DirectorObjects()
306 class _ostream(object):
307 """Proxy of C++ std::ostream class"""
308 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
310 def __init__(self, *args, **kwargs):
311 raise AttributeError(
"No constructor defined")
312 __repr__ = _swig_repr
314 def write(self, osa_buf):
315 """write(_ostream self, char const * osa_buf)"""
316 return _IMP_saxs._ostream_write(self, osa_buf)
318 _ostream_swigregister = _IMP_saxs._ostream_swigregister
319 _ostream_swigregister(_ostream)
322 _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE_swigconstant(_IMP_saxs)
323 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
325 _IMP_saxs.IMP_COMPILER_HAS_FINAL_swigconstant(_IMP_saxs)
326 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
328 _IMP_saxs.IMP_HAS_NOEXCEPT_swigconstant(_IMP_saxs)
329 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
332 _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
333 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
335 _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
336 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
338 _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
339 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
341 _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
342 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
344 _IMP_saxs.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
345 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
348 _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
349 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
351 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
352 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
354 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
355 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
357 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
358 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
360 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
361 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
363 _IMP_saxs.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_saxs)
364 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
366 _IMP_saxs.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_saxs)
367 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
369 _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_saxs)
370 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
373 _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
374 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
376 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
377 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
379 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
380 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
382 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
383 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
385 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
386 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
388 _IMP_saxs.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_saxs)
389 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
391 _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_saxs)
392 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
395 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
396 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
398 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
399 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
401 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
402 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
404 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
405 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
407 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
408 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
410 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_saxs)
411 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
413 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_saxs)
414 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
416 _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_saxs)
417 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
420 _IMP_saxs.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
421 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
423 _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
424 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
426 _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
427 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
429 _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
430 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
432 _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
433 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
435 _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
436 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
438 _IMP_saxs.IMP_CORE_HAS_CGAL_swigconstant(_IMP_saxs)
439 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
441 _IMP_saxs.IMP_CORE_HAS_HDF5_swigconstant(_IMP_saxs)
442 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
444 _IMP_saxs.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_saxs)
445 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
448 _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_saxs)
449 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
451 _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
452 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
454 _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
455 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
457 _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
458 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
460 _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
461 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
463 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
464 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
466 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
467 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
469 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
470 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
472 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
473 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
475 _IMP_saxs.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_saxs)
476 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
478 _IMP_saxs.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_saxs)
479 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
481 _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_saxs)
482 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
485 _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
486 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
488 _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
489 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
491 _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
492 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
494 _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
495 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
497 _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
498 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
500 _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
501 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
503 _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
504 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
506 _IMP_saxs.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_saxs)
507 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
509 _IMP_saxs.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_saxs)
510 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
512 _IMP_saxs.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_saxs)
513 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
515 _IMP_saxs.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_saxs)
516 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
518 _IMP_saxs.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_saxs)
519 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
521 _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_saxs)
522 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
525 _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
526 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
528 _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER_swigconstant(_IMP_saxs)
529 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
531 _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
532 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
534 _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
535 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
537 _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
538 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
540 _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
541 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
543 _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
544 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
546 _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
547 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
549 _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
550 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
552 _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
553 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
555 _IMP_saxs.IMP_SAXS_HAS_CGAL_swigconstant(_IMP_saxs)
556 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
558 _IMP_saxs.IMP_SAXS_HAS_HDF5_swigconstant(_IMP_saxs)
559 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
561 _IMP_saxs.IMPSAXS_SHOW_WARNINGS_swigconstant(_IMP_saxs)
562 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
563 class DistBase(object):
564 """Proxy of C++ std::vector<(double)> class"""
565 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
566 __repr__ = _swig_repr
569 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
570 return _IMP_saxs.DistBase_iterator(self)
573 return self.iterator()
575 def __nonzero__(self):
576 """__nonzero__(DistBase self) -> bool"""
577 return _IMP_saxs.DistBase___nonzero__(self)
581 """__bool__(DistBase self) -> bool"""
582 return _IMP_saxs.DistBase___bool__(self)
586 """__len__(DistBase self) -> std::vector< double >::size_type"""
587 return _IMP_saxs.DistBase___len__(self)
591 """pop(DistBase self) -> std::vector< double >::value_type"""
592 return _IMP_saxs.DistBase_pop(self)
595 def __getslice__(self, i, j):
596 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
597 return _IMP_saxs.DistBase___getslice__(self, i, j)
600 def __setslice__(self, *args):
602 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
603 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
605 return _IMP_saxs.DistBase___setslice__(self, *args)
608 def __delslice__(self, i, j):
609 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
610 return _IMP_saxs.DistBase___delslice__(self, i, j)
613 def __delitem__(self, *args):
615 __delitem__(DistBase self, std::vector< double >::difference_type i)
616 __delitem__(DistBase self, PySliceObject * slice)
618 return _IMP_saxs.DistBase___delitem__(self, *args)
621 def __getitem__(self, *args):
623 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
624 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
626 return _IMP_saxs.DistBase___getitem__(self, *args)
629 def __setitem__(self, *args):
631 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
632 __setitem__(DistBase self, PySliceObject * slice)
633 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
635 return _IMP_saxs.DistBase___setitem__(self, *args)
639 """append(DistBase self, std::vector< double >::value_type const & x)"""
640 return _IMP_saxs.DistBase_append(self, x)
644 """empty(DistBase self) -> bool"""
645 return _IMP_saxs.DistBase_empty(self)
649 """size(DistBase self) -> std::vector< double >::size_type"""
650 return _IMP_saxs.DistBase_size(self)
654 """clear(DistBase self)"""
655 return _IMP_saxs.DistBase_clear(self)
659 """swap(DistBase self, DistBase v)"""
660 return _IMP_saxs.DistBase_swap(self, v)
663 def get_allocator(self):
664 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
665 return _IMP_saxs.DistBase_get_allocator(self)
669 """begin(DistBase self) -> std::vector< double >::iterator"""
670 return _IMP_saxs.DistBase_begin(self)
674 """end(DistBase self) -> std::vector< double >::iterator"""
675 return _IMP_saxs.DistBase_end(self)
679 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
680 return _IMP_saxs.DistBase_rbegin(self)
684 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
685 return _IMP_saxs.DistBase_rend(self)
689 """pop_back(DistBase self)"""
690 return _IMP_saxs.DistBase_pop_back(self)
693 def erase(self, *args):
695 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
696 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
698 return _IMP_saxs.DistBase_erase(self, *args)
701 def __init__(self, *args):
703 __init__(std::vector<(double)> self) -> DistBase
704 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
705 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
706 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
708 this = _IMP_saxs.new_DistBase(*args)
710 self.this.append(this)
714 def push_back(self, x):
715 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
716 return _IMP_saxs.DistBase_push_back(self, x)
720 """front(DistBase self) -> std::vector< double >::value_type const &"""
721 return _IMP_saxs.DistBase_front(self)
725 """back(DistBase self) -> std::vector< double >::value_type const &"""
726 return _IMP_saxs.DistBase_back(self)
729 def assign(self, n, x):
730 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
731 return _IMP_saxs.DistBase_assign(self, n, x)
734 def resize(self, *args):
736 resize(DistBase self, std::vector< double >::size_type new_size)
737 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
739 return _IMP_saxs.DistBase_resize(self, *args)
742 def insert(self, *args):
744 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
745 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
747 return _IMP_saxs.DistBase_insert(self, *args)
750 def reserve(self, n):
751 """reserve(DistBase self, std::vector< double >::size_type n)"""
752 return _IMP_saxs.DistBase_reserve(self, n)
756 """capacity(DistBase self) -> std::vector< double >::size_type"""
757 return _IMP_saxs.DistBase_capacity(self)
759 __swig_destroy__ = _IMP_saxs.delete_DistBase
760 __del__ =
lambda self:
None
761 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
762 DistBase_swigregister(DistBase)
765 _object_types.append(
"Profile")
768 def _object_cast_to_Profile(o):
769 """_object_cast_to_Profile(Object o) -> Profile"""
770 return _IMP_saxs._object_cast_to_Profile(o)
772 _object_types.append(
"ChiScore")
775 def _object_cast_to_ChiScore(o):
776 """_object_cast_to_ChiScore(Object o) -> ChiScore"""
777 return _IMP_saxs._object_cast_to_ChiScore(o)
779 _object_types.append(
"ChiScoreLog")
782 def _object_cast_to_ChiScoreLog(o):
783 """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
784 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
786 _IMP_saxs.ALL_ATOMS_swigconstant(_IMP_saxs)
787 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
789 _IMP_saxs.HEAVY_ATOMS_swigconstant(_IMP_saxs)
790 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
792 _IMP_saxs.CA_ATOMS_swigconstant(_IMP_saxs)
793 CA_ATOMS = _IMP_saxs.CA_ATOMS
794 class FormFactorTable(object):
795 """Proxy of C++ IMP::saxs::FormFactorTable class"""
796 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
797 __repr__ = _swig_repr
799 def __init__(self, *args):
801 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
802 __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
804 this = _IMP_saxs.new_FormFactorTable(*args)
806 self.this.append(this)
810 def get_form_factor(self, *args):
812 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
813 get_form_factor(FormFactorTable self, Particle p) -> double
815 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
818 def get_vacuum_form_factor(self, *args):
820 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
821 get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
823 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
826 def get_dummy_form_factor(self, *args):
828 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
829 get_dummy_form_factor(FormFactorTable self, Particle p) -> double
831 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
834 def get_water_form_factor(self):
835 """get_water_form_factor(FormFactorTable self) -> double"""
836 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
839 def get_vacuum_water_form_factor(self):
840 """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
841 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
844 def get_dummy_water_form_factor(self):
845 """get_dummy_water_form_factor(FormFactorTable self) -> double"""
846 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
849 def get_form_factors(self, *args):
851 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
852 get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
854 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
857 def get_vacuum_form_factors(self, *args):
859 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
860 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
862 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
865 def get_dummy_form_factors(self, *args):
867 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
868 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
870 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
873 def get_water_form_factors(self):
874 """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
875 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
878 def get_water_vacuum_form_factors(self):
879 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
880 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
883 def get_water_dummy_form_factors(self):
884 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
885 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
888 def get_radius(self, *args):
890 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
891 get_radius(FormFactorTable self, Particle p) -> double
893 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
898 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
899 get_volume(FormFactorTable self, Particle p) -> double
901 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
904 def show(self, *args):
906 show(FormFactorTable self, _ostream out, std::string prefix)
907 show(FormFactorTable self, _ostream out)
908 show(FormFactorTable self)
910 return _IMP_saxs.FormFactorTable_show(self, *args)
912 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
913 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
914 __del__ =
lambda self:
None
915 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
916 FormFactorTable_swigregister(FormFactorTable)
917 cvar = _IMP_saxs.cvar
921 """get_default_form_factor_table() -> FormFactorTable"""
922 return _IMP_saxs.get_default_form_factor_table()
924 """Proxy of C++ IMP::saxs::Profile class"""
925 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
927 def __init__(self, *args):
929 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
930 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
931 __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
932 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
933 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
934 __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
935 __init__(IMP::saxs::Profile self) -> Profile
937 this = _IMP_saxs.new_Profile(*args)
939 self.this.append(this)
943 def calculate_profile_partial(self, *args):
945 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
946 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
947 calculate_profile_partial(Profile self, IMP::Particles const & particles)
948 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)
949 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
950 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
951 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
953 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
956 def calculate_profile_reciprocal_partial(self, *args):
958 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
959 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
960 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
962 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
965 def calculate_profile(self, *args):
967 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
968 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
969 calculate_profile(Profile self, IMP::Particles const & particles)
970 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
971 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
973 return _IMP_saxs.Profile_calculate_profile(self, *args)
976 def calculate_I0(self, *args):
978 calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
979 calculate_I0(Profile self, IMP::Particles const & particles) -> double
981 return _IMP_saxs.Profile_calculate_I0(self, *args)
984 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
986 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
987 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
989 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
992 def calculate_profile_symmetric(self, *args):
994 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
995 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
997 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
1000 def profile_2_distribution(self, rd, max_distance):
1001 """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
1002 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
1005 def distribution_2_profile(self, r_dist):
1006 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
1007 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
1010 def resample(self, exp_profile, resampled_profile):
1011 """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
1012 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
1015 def downsample(self, downsampled_profile, point_number):
1016 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
1017 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
1022 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
1023 radius_of_gyration(Profile self) -> double
1025 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
1028 def mean_intensity(self):
1029 """mean_intensity(Profile self) -> double"""
1030 return _IMP_saxs.Profile_mean_intensity(self)
1033 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0):
1035 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
1036 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
1037 read_SAXS_file(Profile self, std::string const & file_name)
1039 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q)
1042 def write_SAXS_file(self, file_name, max_q=0.0):
1044 write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
1045 write_SAXS_file(Profile self, std::string const & file_name)
1047 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
1050 def read_partial_profiles(self, file_name):
1051 """read_partial_profiles(Profile self, std::string const & file_name)"""
1052 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
1055 def write_partial_profiles(self, file_name):
1056 """write_partial_profiles(Profile self, std::string const & file_name)"""
1057 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
1060 def get_delta_q(self):
1061 """get_delta_q(Profile self) -> double"""
1062 return _IMP_saxs.Profile_get_delta_q(self)
1065 def get_min_q(self):
1066 """get_min_q(Profile self) -> double"""
1067 return _IMP_saxs.Profile_get_min_q(self)
1070 def get_max_q(self):
1071 """get_max_q(Profile self) -> double"""
1072 return _IMP_saxs.Profile_get_max_q(self)
1075 def get_intensity(self, i):
1076 """get_intensity(Profile self, unsigned int i) -> double"""
1077 return _IMP_saxs.Profile_get_intensity(self, i)
1081 """get_q(Profile self, unsigned int i) -> double"""
1082 return _IMP_saxs.Profile_get_q(self, i)
1085 def get_error(self, i):
1086 """get_error(Profile self, unsigned int i) -> double"""
1087 return _IMP_saxs.Profile_get_error(self, i)
1090 def get_weight(self, i):
1091 """get_weight(Profile self, unsigned int i) -> double"""
1092 return _IMP_saxs.Profile_get_weight(self, i)
1096 """get_qs(Profile self) -> IMP_Eigen::VectorXf const &"""
1097 return _IMP_saxs.Profile_get_qs(self)
1100 def get_intensities(self):
1101 """get_intensities(Profile self) -> IMP_Eigen::VectorXf const &"""
1102 return _IMP_saxs.Profile_get_intensities(self)
1105 def get_errors(self):
1106 """get_errors(Profile self) -> IMP_Eigen::VectorXf const &"""
1107 return _IMP_saxs.Profile_get_errors(self)
1110 def get_average_radius(self):
1111 """get_average_radius(Profile self) -> double"""
1112 return _IMP_saxs.Profile_get_average_radius(self)
1116 """size(Profile self) -> unsigned int"""
1117 return _IMP_saxs.Profile_size(self)
1120 def is_uniform_sampling(self):
1121 """is_uniform_sampling(Profile self) -> bool"""
1122 return _IMP_saxs.Profile_is_uniform_sampling(self)
1125 def is_partial_profile(self):
1126 """is_partial_profile(Profile self) -> bool"""
1127 return _IMP_saxs.Profile_is_partial_profile(self)
1131 """get_name(Profile self) -> std::string"""
1132 return _IMP_saxs.Profile_get_name(self)
1136 """get_id(Profile self) -> unsigned int"""
1137 return _IMP_saxs.Profile_get_id(self)
1140 def set_qs(self, q):
1141 """set_qs(Profile self, IMP_Eigen::VectorXf const & q)"""
1142 return _IMP_saxs.Profile_set_qs(self, q)
1145 def set_intensities(self, i):
1146 """set_intensities(Profile self, IMP_Eigen::VectorXf const & i)"""
1147 return _IMP_saxs.Profile_set_intensities(self, i)
1150 def set_errors(self, e):
1151 """set_errors(Profile self, IMP_Eigen::VectorXf const & e)"""
1152 return _IMP_saxs.Profile_set_errors(self, e)
1155 def set_intensity(self, i, iq):
1156 """set_intensity(Profile self, unsigned int i, double iq)"""
1157 return _IMP_saxs.Profile_set_intensity(self, i, iq)
1160 def set_ff_table(self, ff_table):
1161 """set_ff_table(Profile self, FormFactorTable ff_table)"""
1162 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
1165 def set_average_radius(self, r):
1166 """set_average_radius(Profile self, double r)"""
1167 return _IMP_saxs.Profile_set_average_radius(self, r)
1170 def set_average_volume(self, v):
1171 """set_average_volume(Profile self, double v)"""
1172 return _IMP_saxs.Profile_set_average_volume(self, v)
1175 def set_name(self, name):
1176 """set_name(Profile self, std::string name)"""
1177 return _IMP_saxs.Profile_set_name(self, name)
1180 def set_id(self, id):
1181 """set_id(Profile self, unsigned int id)"""
1182 return _IMP_saxs.Profile_set_id(self, id)
1185 def set_beam_profile(self, beam_profile_file):
1186 """set_beam_profile(Profile self, std::string beam_profile_file)"""
1187 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
1190 def add_errors(self):
1191 """add_errors(Profile self)"""
1192 return _IMP_saxs.Profile_add_errors(self)
1195 def add_noise(self, percentage=0.03):
1197 add_noise(Profile self, double percentage=0.03)
1198 add_noise(Profile self)
1200 return _IMP_saxs.Profile_add_noise(self, percentage)
1203 def sum_partial_profiles(self, c1, c2, check_cashed=True):
1205 sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1206 sum_partial_profiles(Profile self, double c1, double c2)
1208 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1211 def add(self, *args):
1213 add(Profile self, Profile other_profile, double weight=1.0)
1214 add(Profile self, Profile other_profile)
1215 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1216 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1218 return _IMP_saxs.Profile_add(self, *args)
1221 def add_partial_profiles(self, *args):
1223 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1224 add_partial_profiles(Profile self, Profile other_profile)
1225 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1226 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1228 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1231 def background_adjust(self, start_q):
1232 """background_adjust(Profile self, double start_q)"""
1233 return _IMP_saxs.Profile_background_adjust(self, start_q)
1237 """scale(Profile self, double c)"""
1238 return _IMP_saxs.Profile_scale(self, c)
1241 def offset(self, c):
1242 """offset(Profile self, double c)"""
1243 return _IMP_saxs.Profile_offset(self, c)
1246 def copy_errors(self, exp_profile):
1247 """copy_errors(Profile self, Profile exp_profile)"""
1248 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1251 def get_version_info(self):
1252 """get_version_info(Profile self) -> VersionInfo"""
1253 return _IMP_saxs.Profile_get_version_info(self)
1257 """__str__(Profile self) -> std::string"""
1258 return _IMP_saxs.Profile___str__(self)
1262 """__repr__(Profile self) -> std::string"""
1263 return _IMP_saxs.Profile___repr__(self)
1268 return _object_cast_to_Profile(o)
1270 Profile_swigregister = _IMP_saxs.Profile_swigregister
1271 Profile_swigregister(Profile)
1272 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1274 class FitParameters(object):
1275 """Proxy of C++ IMP::saxs::FitParameters class"""
1276 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1277 __repr__ = _swig_repr
1279 def __init__(self, *args):
1281 __init__(IMP::saxs::FitParameters self) -> FitParameters
1282 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2, double c, double o) -> FitParameters
1283 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2) -> FitParameters
1285 this = _IMP_saxs.new_FitParameters(*args)
1287 self.this.append(this)
1291 def get_score(self):
1292 """get_score(FitParameters self) -> double"""
1293 return _IMP_saxs.FitParameters_get_score(self)
1297 """get_chi(FitParameters self) -> double"""
1298 return _IMP_saxs.FitParameters_get_chi(self)
1302 """get_c1(FitParameters self) -> double"""
1303 return _IMP_saxs.FitParameters_get_c1(self)
1307 """get_c2(FitParameters self) -> double"""
1308 return _IMP_saxs.FitParameters_get_c2(self)
1311 def get_scale(self):
1312 """get_scale(FitParameters self) -> double"""
1313 return _IMP_saxs.FitParameters_get_scale(self)
1316 def get_offset(self):
1317 """get_offset(FitParameters self) -> double"""
1318 return _IMP_saxs.FitParameters_get_offset(self)
1321 def get_default_chi(self):
1322 """get_default_chi(FitParameters self) -> double"""
1323 return _IMP_saxs.FitParameters_get_default_chi(self)
1326 def get_pdb_file_name(self):
1327 """get_pdb_file_name(FitParameters self) -> std::string"""
1328 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1331 def get_profile_file_name(self):
1332 """get_profile_file_name(FitParameters self) -> std::string"""
1333 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1336 def get_mol_index(self):
1337 """get_mol_index(FitParameters self) -> int"""
1338 return _IMP_saxs.FitParameters_get_mol_index(self)
1341 def set_chi(self, chi):
1342 """set_chi(FitParameters self, double chi)"""
1343 return _IMP_saxs.FitParameters_set_chi(self, chi)
1346 def set_default_chi(self, chi):
1347 """set_default_chi(FitParameters self, double chi)"""
1348 return _IMP_saxs.FitParameters_set_default_chi(self, chi)
1351 def set_profile_file_name(self, file_name):
1352 """set_profile_file_name(FitParameters self, std::string file_name)"""
1353 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1356 def set_pdb_file_name(self, file_name):
1357 """set_pdb_file_name(FitParameters self, std::string file_name)"""
1358 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1361 def set_mol_index(self, index):
1362 """set_mol_index(FitParameters self, int index)"""
1363 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1367 """show(FitParameters self, _ostream s)"""
1368 return _IMP_saxs.FitParameters_show(self, s)
1370 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1371 __del__ =
lambda self:
None
1372 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1373 FitParameters_swigregister(FitParameters)
1375 class WeightedFitParameters(FitParameters):
1376 """Proxy of C++ IMP::saxs::WeightedFitParameters class"""
1377 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1378 __repr__ = _swig_repr
1380 def __init__(self, *args):
1382 __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1383 __init__(IMP::saxs::WeightedFitParameters self, double chi, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1385 this = _IMP_saxs.new_WeightedFitParameters(*args)
1387 self.this.append(this)
1391 def get_weights(self):
1392 """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1393 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1396 def set_weights(self, weights):
1397 """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1398 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1402 """show(WeightedFitParameters self, _ostream s)"""
1403 return _IMP_saxs.WeightedFitParameters_show(self, s)
1405 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1406 __del__ =
lambda self:
None
1407 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1408 WeightedFitParameters_swigregister(WeightedFitParameters)
1411 """Proxy of C++ IMP::saxs::ChiScore class"""
1412 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1415 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1416 this = _IMP_saxs.new_ChiScore()
1418 self.this.append(this)
1422 def compute_score(self, exp_profile, model_profile, use_offset=False):
1424 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1425 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1427 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1430 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1432 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1433 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1435 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1438 def compute_offset(self, exp_profile, model_profile):
1439 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1440 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1443 def get_version_info(self):
1444 """get_version_info(ChiScore self) -> VersionInfo"""
1445 return _IMP_saxs.ChiScore_get_version_info(self)
1449 """__str__(ChiScore self) -> std::string"""
1450 return _IMP_saxs.ChiScore___str__(self)
1454 """__repr__(ChiScore self) -> std::string"""
1455 return _IMP_saxs.ChiScore___repr__(self)
1460 return _object_cast_to_ChiScore(o)
1462 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1463 ChiScore_swigregister(ChiScore)
1466 """Proxy of C++ IMP::saxs::ChiScoreLog class"""
1467 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1470 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1471 this = _IMP_saxs.new_ChiScoreLog()
1473 self.this.append(this)
1477 def compute_score(self, *args):
1479 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1480 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1481 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1483 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1486 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1488 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1489 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1491 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1494 def compute_offset(self, exp_profile, model_profile):
1495 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1496 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1499 def get_version_info(self):
1500 """get_version_info(ChiScoreLog self) -> VersionInfo"""
1501 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1505 """__str__(ChiScoreLog self) -> std::string"""
1506 return _IMP_saxs.ChiScoreLog___str__(self)
1510 """__repr__(ChiScoreLog self) -> std::string"""
1511 return _IMP_saxs.ChiScoreLog___repr__(self)
1516 return _object_cast_to_ChiScoreLog(o)
1518 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1519 ChiScoreLog_swigregister(ChiScoreLog)
1522 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class"""
1523 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1524 __repr__ = _swig_repr
1526 def __init__(self, *args):
1528 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1529 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1531 this = _IMP_saxs.new_ProfileFitterChi(*args)
1533 self.this.append(this)
1537 def compute_score(self, *args):
1539 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1540 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1541 compute_score(ProfileFitterChi self, Profile model_profile) -> double
1543 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1546 def fit_profile(self, *args):
1548 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
1549 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
1550 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
1551 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1552 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1553 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1554 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1556 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1559 def compute_scale_factor(self, model_profile, offset=0.0):
1561 compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1562 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1564 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1567 def compute_offset(self, model_profile):
1568 """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1569 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1572 def resample(self, model_profile, resampled_profile):
1573 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1574 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1577 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1579 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)
1580 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1581 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1583 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1585 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1586 __del__ =
lambda self:
None
1587 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1588 ProfileFitterChi_swigregister(ProfileFitterChi)
1590 class WeightedProfileFitterChi(ProfileFitterChi):
1591 """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class"""
1592 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1593 __repr__ = _swig_repr
1595 def __init__(self, exp_profile):
1596 """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1597 this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1599 self.this.append(this)
1603 def compute_score(self, profiles, weights, NNLS=True):
1605 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool NNLS=True) -> double
1606 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1608 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, NNLS)
1611 def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0):
1613 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
1614 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
1615 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1616 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1617 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1619 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2)
1622 def write_fit_file(self, partial_profiles, fp, fit_file_name):
1623 """write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)"""
1624 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name)
1626 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1627 __del__ =
lambda self:
None
1628 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1629 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1632 """Proxy of C++ IMP::saxs::Restraint class"""
1633 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1634 __repr__ = _swig_repr
1636 def __init__(self, *args):
1638 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1639 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1641 this = _IMP_saxs.new_Restraint(*args)
1643 self.this.append(this)
1647 if self.__class__ != Restraint:
1648 _director_objects.register(self)
1653 def do_get_inputs(self):
1654 """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1655 return _IMP_saxs.Restraint_do_get_inputs(self)
1658 def get_version_info(self):
1659 """get_version_info(Restraint self) -> VersionInfo"""
1660 return _IMP_saxs.Restraint_get_version_info(self)
1662 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1663 Restraint_swigregister(Restraint)
1665 class RadiusOfGyrationRestraint(Restraint):
1666 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class"""
1667 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1668 __repr__ = _swig_repr
1670 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1672 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1673 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1675 this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1677 self.this.append(this)
1680 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1681 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1683 class FloatDistribution(DistBase):
1684 """Proxy of C++ IMP::saxs::Distribution<(double)> class"""
1685 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1686 __repr__ = _swig_repr
1688 def __init__(self, *args):
1690 __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1691 __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1693 this = _IMP_saxs.new_FloatDistribution(*args)
1695 self.this.append(this)
1699 def get_max_distance(self):
1700 """get_max_distance(FloatDistribution self) -> double"""
1701 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1704 def get_bin_size(self):
1705 """get_bin_size(FloatDistribution self) -> double"""
1706 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1709 def get_index_from_distance(self, dist):
1710 """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1711 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1714 def get_distance_from_index(self, index):
1715 """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1716 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1718 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1719 __del__ =
lambda self:
None
1720 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1721 FloatDistribution_swigregister(FloatDistribution)
1723 class VectorDistribution(object):
1724 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class"""
1725 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1726 __repr__ = _swig_repr
1728 def __init__(self, *args):
1730 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1731 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1733 this = _IMP_saxs.new_VectorDistribution(*args)
1735 self.this.append(this)
1739 def get_max_distance(self):
1740 """get_max_distance(VectorDistribution self) -> double"""
1741 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1744 def get_bin_size(self):
1745 """get_bin_size(VectorDistribution self) -> double"""
1746 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1749 def get_index_from_distance(self, dist):
1750 """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1751 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1754 def get_distance_from_index(self, index):
1755 """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1756 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1758 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1759 __del__ =
lambda self:
None
1760 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1761 VectorDistribution_swigregister(VectorDistribution)
1763 class RadialDistributionFunction(FloatDistribution):
1764 """Proxy of C++ IMP::saxs::RadialDistributionFunction class"""
1765 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1766 __repr__ = _swig_repr
1768 def __init__(self, *args):
1770 __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1771 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1772 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1774 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1776 self.this.append(this)
1781 """scale(RadialDistributionFunction self, double c)"""
1782 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1785 def add(self, model_pr):
1786 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1787 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1790 def show(self, *args):
1792 show(RadialDistributionFunction self, _ostream out)
1793 show(RadialDistributionFunction self)
1795 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1798 def R_factor_score(self, *args):
1800 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1801 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1803 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1806 def fit(self, *args):
1808 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1809 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1811 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1814 def normalize(self):
1815 """normalize(RadialDistributionFunction self)"""
1816 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1819 def add_to_distribution(self, dist, value):
1820 """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1821 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1823 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1824 __del__ =
lambda self:
None
1825 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1826 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1828 class DeltaDistributionFunction(VectorDistribution):
1829 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class"""
1830 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1831 __repr__ = _swig_repr
1833 def __init__(self, *args):
1835 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1836 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1837 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1839 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1841 self.this.append(this)
1845 def calculate_derivative_distribution(self, particle):
1846 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1847 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1850 def show(self, *args):
1852 show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1853 show(DeltaDistributionFunction self, _ostream out)
1854 show(DeltaDistributionFunction self)
1856 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1858 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1859 __del__ =
lambda self:
None
1860 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1861 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1863 class SolventAccessibleSurface(object):
1864 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class"""
1865 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1866 __repr__ = _swig_repr
1868 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1870 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1871 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1872 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1874 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1878 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1879 this = _IMP_saxs.new_SolventAccessibleSurface()
1881 self.this.append(this)
1884 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1885 __del__ =
lambda self:
None
1886 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1887 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1890 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class"""
1891 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1892 __repr__ = _swig_repr
1894 def __init__(self, *args):
1896 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1897 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1899 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1901 self.this.append(this)
1905 def compute_score(self, *args):
1907 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1908 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1909 compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1911 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1914 def fit_profile(self, *args):
1916 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
1917 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
1918 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
1919 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1920 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1921 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1922 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1924 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1927 def compute_scale_factor(self, model_profile, offset=0.0):
1929 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1930 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1932 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1935 def compute_offset(self, model_profile):
1936 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1937 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1940 def resample(self, model_profile, resampled_profile):
1941 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1942 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1945 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1947 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)
1948 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1949 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1951 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1953 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1954 __del__ =
lambda self:
None
1955 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1956 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1958 class ProfileFitterRatioVolatility(
IMP.Object):
1959 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class"""
1960 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1961 __repr__ = _swig_repr
1963 def __init__(self, *args):
1965 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1966 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1968 this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1970 self.this.append(this)
1974 def compute_score(self, *args):
1976 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1977 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1978 compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1980 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1983 def fit_profile(self, *args):
1985 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
1986 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
1987 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
1988 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1989 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1990 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1991 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
1993 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1996 def compute_scale_factor(self, model_profile, offset=0.0):
1998 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
1999 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
2001 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
2004 def compute_offset(self, model_profile):
2005 """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
2006 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
2009 def resample(self, model_profile, resampled_profile):
2010 """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
2011 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
2014 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
2016 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)
2017 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
2018 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
2020 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
2022 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
2023 __del__ =
lambda self:
None
2024 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
2025 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
2028 def get_module_version():
2029 """get_module_version() -> std::string const"""
2030 return _IMP_saxs.get_module_version()
2033 """get_example_path(std::string fname) -> std::string"""
2034 return _IMP_saxs.get_example_path(fname)
2037 """get_data_path(std::string fname) -> std::string"""
2038 return _IMP_saxs.get_data_path(fname)
2040 from .
import _version_check
2041 _version_check.check_version(get_module_version())
2042 __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)
See BoundingBoxD.
Common base class for heavy weight IMP objects.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
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...
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.