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."""
116 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
118 def __init__(self, *args, **kwargs):
119 raise AttributeError(
"No constructor defined - class is abstract")
120 __repr__ = _swig_repr
121 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
122 __del__ =
lambda self:
None
125 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
126 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
131 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
132 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
134 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
139 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
140 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
142 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
145 def distance(self, x):
146 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
147 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
151 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
152 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
156 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
157 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
161 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
162 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
166 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
167 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
171 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
172 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
175 def advance(self, n):
176 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
177 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
181 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
182 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
186 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
187 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
190 def __iadd__(self, n):
191 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
192 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
195 def __isub__(self, n):
196 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
197 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
200 def __add__(self, n):
201 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
202 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
205 def __sub__(self, *args):
207 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
208 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
210 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
214 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
215 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
224 _IMP_saxs.IMP_DEBUG_swigconstant(_IMP_saxs)
225 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
227 _IMP_saxs.IMP_RELEASE_swigconstant(_IMP_saxs)
228 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
230 _IMP_saxs.IMP_SILENT_swigconstant(_IMP_saxs)
231 IMP_SILENT = _IMP_saxs.IMP_SILENT
233 _IMP_saxs.IMP_PROGRESS_swigconstant(_IMP_saxs)
234 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
236 _IMP_saxs.IMP_TERSE_swigconstant(_IMP_saxs)
237 IMP_TERSE = _IMP_saxs.IMP_TERSE
239 _IMP_saxs.IMP_VERBOSE_swigconstant(_IMP_saxs)
240 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
242 _IMP_saxs.IMP_MEMORY_swigconstant(_IMP_saxs)
243 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
245 _IMP_saxs.IMP_NONE_swigconstant(_IMP_saxs)
246 IMP_NONE = _IMP_saxs.IMP_NONE
248 _IMP_saxs.IMP_USAGE_swigconstant(_IMP_saxs)
249 IMP_USAGE = _IMP_saxs.IMP_USAGE
251 _IMP_saxs.IMP_INTERNAL_swigconstant(_IMP_saxs)
252 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
254 _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_saxs)
255 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
257 _IMP_saxs.IMP_COMPILER_HAS_AUTO_swigconstant(_IMP_saxs)
258 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
260 _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_saxs)
261 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
263 _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR_swigconstant(_IMP_saxs)
264 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR
266 _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
267 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
269 _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_saxs)
270 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
272 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_saxs)
273 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
275 _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_saxs)
276 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
278 _IMP_saxs.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
279 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
282 class _DirectorObjects(object):
283 """@internal Simple class to keep references to director objects
284 to prevent premature deletion."""
287 def register(self, obj):
288 """Take a reference to a director object; will only work for
289 refcounted C++ classes"""
290 if hasattr(obj,
'get_ref_count'):
291 self._objects.append(obj)
293 """Only drop our reference and allow cleanup by Python if no other
294 Python references exist (we hold 3 references: one in self._objects,
295 one in x, and one in the argument list for getrefcount) *and* no
296 other C++ references exist (the Python object always holds one)"""
297 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
298 or x.get_ref_count() > 1]
302 def get_object_count(self):
303 """Get number of director objects (useful for testing only)"""
304 return len(self._objects)
305 _director_objects = _DirectorObjects()
307 class _ostream(object):
308 """Proxy of C++ std::ostream class."""
310 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
312 def __init__(self, *args, **kwargs):
313 raise AttributeError(
"No constructor defined")
314 __repr__ = _swig_repr
316 def write(self, osa_buf):
317 """write(_ostream self, char const * osa_buf)"""
318 return _IMP_saxs._ostream_write(self, osa_buf)
320 _ostream_swigregister = _IMP_saxs._ostream_swigregister
321 _ostream_swigregister(_ostream)
324 _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE_swigconstant(_IMP_saxs)
325 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
327 _IMP_saxs.IMP_COMPILER_HAS_FINAL_swigconstant(_IMP_saxs)
328 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
330 _IMP_saxs.IMP_HAS_NOEXCEPT_swigconstant(_IMP_saxs)
331 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
334 _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
335 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
337 _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
338 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
340 _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
341 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
343 _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
344 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
346 _IMP_saxs.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_saxs)
347 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
350 _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
351 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
353 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
354 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
356 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
357 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
359 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
360 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
362 _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
363 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
365 _IMP_saxs.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_saxs)
366 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
368 _IMP_saxs.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_saxs)
369 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
371 _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_saxs)
372 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
375 _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
376 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
378 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
379 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
381 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
382 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
384 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
385 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
387 _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
388 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
390 _IMP_saxs.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_saxs)
391 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
393 _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_saxs)
394 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
397 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
398 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
400 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
401 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
403 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
404 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
406 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
407 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
409 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
410 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
412 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_saxs)
413 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
415 _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_saxs)
416 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
418 _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_saxs)
419 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
422 _IMP_saxs.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
423 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
425 _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
426 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
428 _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
429 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
431 _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
432 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
434 _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
435 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
437 _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
438 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
440 _IMP_saxs.IMP_CORE_HAS_CGAL_swigconstant(_IMP_saxs)
441 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
443 _IMP_saxs.IMP_CORE_HAS_HDF5_swigconstant(_IMP_saxs)
444 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
446 _IMP_saxs.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_saxs)
447 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
450 _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_saxs)
451 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
453 _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
454 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
456 _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
457 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
459 _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
460 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
462 _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
463 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
465 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
466 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
468 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
469 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
471 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
472 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
474 _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
475 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
477 _IMP_saxs.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_saxs)
478 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
480 _IMP_saxs.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_saxs)
481 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
483 _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_saxs)
484 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
487 _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
488 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
490 _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
491 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
493 _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
494 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
496 _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
497 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
499 _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
500 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
502 _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
503 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
505 _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
506 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
508 _IMP_saxs.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_saxs)
509 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
511 _IMP_saxs.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_saxs)
512 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
514 _IMP_saxs.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_saxs)
515 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
517 _IMP_saxs.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_saxs)
518 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
520 _IMP_saxs.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_saxs)
521 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
523 _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_saxs)
524 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
527 _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL_swigconstant(_IMP_saxs)
528 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
530 _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER_swigconstant(_IMP_saxs)
531 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
533 _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY_swigconstant(_IMP_saxs)
534 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
536 _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL_swigconstant(_IMP_saxs)
537 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
539 _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_saxs)
540 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
542 _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_saxs)
543 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
545 _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_saxs)
546 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
548 _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM_swigconstant(_IMP_saxs)
549 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
551 _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX_swigconstant(_IMP_saxs)
552 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
554 _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM_swigconstant(_IMP_saxs)
555 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
557 _IMP_saxs.IMP_SAXS_HAS_CGAL_swigconstant(_IMP_saxs)
558 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
560 _IMP_saxs.IMP_SAXS_HAS_HDF5_swigconstant(_IMP_saxs)
561 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
563 _IMP_saxs.IMPSAXS_SHOW_WARNINGS_swigconstant(_IMP_saxs)
564 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
565 class DistBase(object):
566 """Proxy of C++ std::vector<(double)> class."""
568 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
569 __repr__ = _swig_repr
572 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
573 return _IMP_saxs.DistBase_iterator(self)
576 return self.iterator()
578 def __nonzero__(self):
579 """__nonzero__(DistBase self) -> bool"""
580 return _IMP_saxs.DistBase___nonzero__(self)
584 """__bool__(DistBase self) -> bool"""
585 return _IMP_saxs.DistBase___bool__(self)
589 """__len__(DistBase self) -> std::vector< double >::size_type"""
590 return _IMP_saxs.DistBase___len__(self)
593 def __getslice__(self, i, j):
594 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
595 return _IMP_saxs.DistBase___getslice__(self, i, j)
598 def __setslice__(self, *args):
600 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
601 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
603 return _IMP_saxs.DistBase___setslice__(self, *args)
606 def __delslice__(self, i, j):
607 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
608 return _IMP_saxs.DistBase___delslice__(self, i, j)
611 def __delitem__(self, *args):
613 __delitem__(DistBase self, std::vector< double >::difference_type i)
614 __delitem__(DistBase self, PySliceObject * slice)
616 return _IMP_saxs.DistBase___delitem__(self, *args)
619 def __getitem__(self, *args):
621 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
622 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
624 return _IMP_saxs.DistBase___getitem__(self, *args)
627 def __setitem__(self, *args):
629 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
630 __setitem__(DistBase self, PySliceObject * slice)
631 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
633 return _IMP_saxs.DistBase___setitem__(self, *args)
637 """pop(DistBase self) -> std::vector< double >::value_type"""
638 return _IMP_saxs.DistBase_pop(self)
642 """append(DistBase self, std::vector< double >::value_type const & x)"""
643 return _IMP_saxs.DistBase_append(self, x)
647 """empty(DistBase self) -> bool"""
648 return _IMP_saxs.DistBase_empty(self)
652 """size(DistBase self) -> std::vector< double >::size_type"""
653 return _IMP_saxs.DistBase_size(self)
657 """swap(DistBase self, DistBase v)"""
658 return _IMP_saxs.DistBase_swap(self, v)
662 """begin(DistBase self) -> std::vector< double >::iterator"""
663 return _IMP_saxs.DistBase_begin(self)
667 """end(DistBase self) -> std::vector< double >::iterator"""
668 return _IMP_saxs.DistBase_end(self)
672 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
673 return _IMP_saxs.DistBase_rbegin(self)
677 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
678 return _IMP_saxs.DistBase_rend(self)
682 """clear(DistBase self)"""
683 return _IMP_saxs.DistBase_clear(self)
686 def get_allocator(self):
687 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
688 return _IMP_saxs.DistBase_get_allocator(self)
692 """pop_back(DistBase self)"""
693 return _IMP_saxs.DistBase_pop_back(self)
696 def erase(self, *args):
698 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
699 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
701 return _IMP_saxs.DistBase_erase(self, *args)
704 def __init__(self, *args):
706 __init__(std::vector<(double)> self) -> DistBase
707 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
708 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
709 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
711 this = _IMP_saxs.new_DistBase(*args)
713 self.this.append(this)
717 def push_back(self, x):
718 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
719 return _IMP_saxs.DistBase_push_back(self, x)
723 """front(DistBase self) -> std::vector< double >::value_type const &"""
724 return _IMP_saxs.DistBase_front(self)
728 """back(DistBase self) -> std::vector< double >::value_type const &"""
729 return _IMP_saxs.DistBase_back(self)
732 def assign(self, n, x):
733 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
734 return _IMP_saxs.DistBase_assign(self, n, x)
737 def resize(self, *args):
739 resize(DistBase self, std::vector< double >::size_type new_size)
740 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
742 return _IMP_saxs.DistBase_resize(self, *args)
745 def insert(self, *args):
747 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
748 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
750 return _IMP_saxs.DistBase_insert(self, *args)
753 def reserve(self, n):
754 """reserve(DistBase self, std::vector< double >::size_type n)"""
755 return _IMP_saxs.DistBase_reserve(self, n)
759 """capacity(DistBase self) -> std::vector< double >::size_type"""
760 return _IMP_saxs.DistBase_capacity(self)
762 __swig_destroy__ = _IMP_saxs.delete_DistBase
763 __del__ =
lambda self:
None
764 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
765 DistBase_swigregister(DistBase)
768 _object_types.append(
"Profile")
771 def _object_cast_to_Profile(o):
772 """_object_cast_to_Profile(Object o) -> Profile"""
773 return _IMP_saxs._object_cast_to_Profile(o)
775 _object_types.append(
"ChiScore")
778 def _object_cast_to_ChiScore(o):
779 """_object_cast_to_ChiScore(Object o) -> ChiScore"""
780 return _IMP_saxs._object_cast_to_ChiScore(o)
782 _object_types.append(
"ChiScoreLog")
785 def _object_cast_to_ChiScoreLog(o):
786 """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
787 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
789 _IMP_saxs.ALL_ATOMS_swigconstant(_IMP_saxs)
790 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
792 _IMP_saxs.HEAVY_ATOMS_swigconstant(_IMP_saxs)
793 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
795 _IMP_saxs.CA_ATOMS_swigconstant(_IMP_saxs)
796 CA_ATOMS = _IMP_saxs.CA_ATOMS
797 class FormFactorTable(object):
798 """Proxy of C++ IMP::saxs::FormFactorTable class."""
800 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
801 __repr__ = _swig_repr
803 def __init__(self, *args):
805 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
806 __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
808 this = _IMP_saxs.new_FormFactorTable(*args)
810 self.this.append(this)
814 def get_form_factor(self, *args):
816 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
817 get_form_factor(FormFactorTable self, Particle p) -> double
819 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
822 def get_vacuum_form_factor(self, *args):
824 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
825 get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
827 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
830 def get_dummy_form_factor(self, *args):
832 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
833 get_dummy_form_factor(FormFactorTable self, Particle p) -> double
835 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
838 def get_water_form_factor(self):
839 """get_water_form_factor(FormFactorTable self) -> double"""
840 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
843 def get_vacuum_water_form_factor(self):
844 """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
845 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
848 def get_dummy_water_form_factor(self):
849 """get_dummy_water_form_factor(FormFactorTable self) -> double"""
850 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
853 def get_form_factors(self, *args):
855 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
856 get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
858 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
861 def get_vacuum_form_factors(self, *args):
863 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
864 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
866 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
869 def get_dummy_form_factors(self, *args):
871 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
872 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
874 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
877 def get_water_form_factors(self):
878 """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
879 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
882 def get_water_vacuum_form_factors(self):
883 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
884 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
887 def get_water_dummy_form_factors(self):
888 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
889 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
892 def get_radius(self, *args):
894 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
895 get_radius(FormFactorTable self, Particle p) -> double
897 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
902 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
903 get_volume(FormFactorTable self, Particle p) -> double
905 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
908 def show(self, *args):
910 show(FormFactorTable self, _ostream out, std::string prefix)
911 show(FormFactorTable self, _ostream out)
912 show(FormFactorTable self)
914 return _IMP_saxs.FormFactorTable_show(self, *args)
916 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
917 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
918 __del__ =
lambda self:
None
919 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
920 FormFactorTable_swigregister(FormFactorTable)
921 cvar = _IMP_saxs.cvar
925 """get_default_form_factor_table() -> FormFactorTable"""
926 return _IMP_saxs.get_default_form_factor_table()
928 """Proxy of C++ IMP::saxs::Profile class."""
930 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
932 def __init__(self, *args):
934 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
935 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
936 __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
937 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
938 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
939 __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
940 __init__(IMP::saxs::Profile self) -> Profile
942 this = _IMP_saxs.new_Profile(*args)
944 self.this.append(this)
948 def calculate_profile_partial(self, *args):
950 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
951 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
952 calculate_profile_partial(Profile self, IMP::Particles const & particles)
953 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)
954 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
955 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
956 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
958 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
961 def calculate_profile_reciprocal_partial(self, *args):
963 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
964 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
965 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
967 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
970 def calculate_profile(self, *args):
972 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
973 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
974 calculate_profile(Profile self, IMP::Particles const & particles)
975 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
976 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
978 return _IMP_saxs.Profile_calculate_profile(self, *args)
981 def calculate_I0(self, *args):
983 calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
984 calculate_I0(Profile self, IMP::Particles const & particles) -> double
986 return _IMP_saxs.Profile_calculate_I0(self, *args)
989 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
991 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
992 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
994 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
997 def calculate_profile_symmetric(self, *args):
999 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
1000 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
1002 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
1005 def profile_2_distribution(self, rd, max_distance):
1006 """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
1007 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
1010 def distribution_2_profile(self, r_dist):
1011 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
1012 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
1015 def resample(self, exp_profile, resampled_profile):
1016 """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
1017 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
1020 def downsample(self, downsampled_profile, point_number):
1021 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
1022 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
1027 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
1028 radius_of_gyration(Profile self) -> double
1030 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
1033 def mean_intensity(self):
1034 """mean_intensity(Profile self) -> double"""
1035 return _IMP_saxs.Profile_mean_intensity(self)
1038 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0):
1040 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
1041 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
1042 read_SAXS_file(Profile self, std::string const & file_name)
1044 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q)
1047 def write_SAXS_file(self, file_name, max_q=0.0):
1049 write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
1050 write_SAXS_file(Profile self, std::string const & file_name)
1052 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
1055 def read_partial_profiles(self, file_name):
1056 """read_partial_profiles(Profile self, std::string const & file_name)"""
1057 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
1060 def write_partial_profiles(self, file_name):
1061 """write_partial_profiles(Profile self, std::string const & file_name)"""
1062 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
1065 def get_delta_q(self):
1066 """get_delta_q(Profile self) -> double"""
1067 return _IMP_saxs.Profile_get_delta_q(self)
1070 def get_min_q(self):
1071 """get_min_q(Profile self) -> double"""
1072 return _IMP_saxs.Profile_get_min_q(self)
1075 def get_max_q(self):
1076 """get_max_q(Profile self) -> double"""
1077 return _IMP_saxs.Profile_get_max_q(self)
1080 def get_intensity(self, i):
1081 """get_intensity(Profile self, unsigned int i) -> double"""
1082 return _IMP_saxs.Profile_get_intensity(self, i)
1086 """get_q(Profile self, unsigned int i) -> double"""
1087 return _IMP_saxs.Profile_get_q(self, i)
1090 def get_error(self, i):
1091 """get_error(Profile self, unsigned int i) -> double"""
1092 return _IMP_saxs.Profile_get_error(self, i)
1095 def get_weight(self, i):
1096 """get_weight(Profile self, unsigned int i) -> double"""
1097 return _IMP_saxs.Profile_get_weight(self, i)
1101 """get_qs(Profile self) -> IMP_Eigen::VectorXf const &"""
1102 return _IMP_saxs.Profile_get_qs(self)
1105 def get_intensities(self):
1106 """get_intensities(Profile self) -> IMP_Eigen::VectorXf const &"""
1107 return _IMP_saxs.Profile_get_intensities(self)
1110 def get_errors(self):
1111 """get_errors(Profile self) -> IMP_Eigen::VectorXf const &"""
1112 return _IMP_saxs.Profile_get_errors(self)
1115 def get_average_radius(self):
1116 """get_average_radius(Profile self) -> double"""
1117 return _IMP_saxs.Profile_get_average_radius(self)
1121 """size(Profile self) -> unsigned int"""
1122 return _IMP_saxs.Profile_size(self)
1125 def is_uniform_sampling(self):
1126 """is_uniform_sampling(Profile self) -> bool"""
1127 return _IMP_saxs.Profile_is_uniform_sampling(self)
1130 def is_partial_profile(self):
1131 """is_partial_profile(Profile self) -> bool"""
1132 return _IMP_saxs.Profile_is_partial_profile(self)
1136 """get_name(Profile self) -> std::string"""
1137 return _IMP_saxs.Profile_get_name(self)
1141 """get_id(Profile self) -> unsigned int"""
1142 return _IMP_saxs.Profile_get_id(self)
1145 def set_qs(self, q):
1146 """set_qs(Profile self, IMP_Eigen::VectorXf const & q)"""
1147 return _IMP_saxs.Profile_set_qs(self, q)
1150 def set_intensities(self, i):
1151 """set_intensities(Profile self, IMP_Eigen::VectorXf const & i)"""
1152 return _IMP_saxs.Profile_set_intensities(self, i)
1155 def set_errors(self, e):
1156 """set_errors(Profile self, IMP_Eigen::VectorXf const & e)"""
1157 return _IMP_saxs.Profile_set_errors(self, e)
1160 def set_intensity(self, i, iq):
1161 """set_intensity(Profile self, unsigned int i, double iq)"""
1162 return _IMP_saxs.Profile_set_intensity(self, i, iq)
1165 def set_ff_table(self, ff_table):
1166 """set_ff_table(Profile self, FormFactorTable ff_table)"""
1167 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
1170 def set_average_radius(self, r):
1171 """set_average_radius(Profile self, double r)"""
1172 return _IMP_saxs.Profile_set_average_radius(self, r)
1175 def set_average_volume(self, v):
1176 """set_average_volume(Profile self, double v)"""
1177 return _IMP_saxs.Profile_set_average_volume(self, v)
1180 def set_name(self, name):
1181 """set_name(Profile self, std::string name)"""
1182 return _IMP_saxs.Profile_set_name(self, name)
1185 def set_id(self, id):
1186 """set_id(Profile self, unsigned int id)"""
1187 return _IMP_saxs.Profile_set_id(self, id)
1190 def set_beam_profile(self, beam_profile_file):
1191 """set_beam_profile(Profile self, std::string beam_profile_file)"""
1192 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
1195 def add_errors(self):
1196 """add_errors(Profile self)"""
1197 return _IMP_saxs.Profile_add_errors(self)
1200 def add_noise(self, percentage=0.03):
1202 add_noise(Profile self, double percentage=0.03)
1203 add_noise(Profile self)
1205 return _IMP_saxs.Profile_add_noise(self, percentage)
1208 def sum_partial_profiles(self, c1, c2, check_cashed=True):
1210 sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1211 sum_partial_profiles(Profile self, double c1, double c2)
1213 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1216 def add(self, *args):
1218 add(Profile self, Profile other_profile, double weight=1.0)
1219 add(Profile self, Profile other_profile)
1220 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1221 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1223 return _IMP_saxs.Profile_add(self, *args)
1226 def add_partial_profiles(self, *args):
1228 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1229 add_partial_profiles(Profile self, Profile other_profile)
1230 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1231 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1233 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1236 def background_adjust(self, start_q):
1237 """background_adjust(Profile self, double start_q)"""
1238 return _IMP_saxs.Profile_background_adjust(self, start_q)
1242 """scale(Profile self, double c)"""
1243 return _IMP_saxs.Profile_scale(self, c)
1246 def offset(self, c):
1247 """offset(Profile self, double c)"""
1248 return _IMP_saxs.Profile_offset(self, c)
1251 def copy_errors(self, exp_profile):
1252 """copy_errors(Profile self, Profile exp_profile)"""
1253 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1256 def get_version_info(self):
1257 """get_version_info(Profile self) -> VersionInfo"""
1258 return _IMP_saxs.Profile_get_version_info(self)
1262 """__str__(Profile self) -> std::string"""
1263 return _IMP_saxs.Profile___str__(self)
1267 """__repr__(Profile self) -> std::string"""
1268 return _IMP_saxs.Profile___repr__(self)
1273 return _object_cast_to_Profile(o)
1275 Profile_swigregister = _IMP_saxs.Profile_swigregister
1276 Profile_swigregister(Profile)
1277 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1279 class FitParameters(object):
1280 """Proxy of C++ IMP::saxs::FitParameters class."""
1282 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1283 __repr__ = _swig_repr
1285 def __init__(self, *args):
1287 __init__(IMP::saxs::FitParameters self) -> FitParameters
1288 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2, double c, double o) -> FitParameters
1289 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2) -> FitParameters
1291 this = _IMP_saxs.new_FitParameters(*args)
1293 self.this.append(this)
1297 def get_score(self):
1298 """get_score(FitParameters self) -> double"""
1299 return _IMP_saxs.FitParameters_get_score(self)
1303 """get_chi(FitParameters self) -> double"""
1304 return _IMP_saxs.FitParameters_get_chi(self)
1308 """get_c1(FitParameters self) -> double"""
1309 return _IMP_saxs.FitParameters_get_c1(self)
1313 """get_c2(FitParameters self) -> double"""
1314 return _IMP_saxs.FitParameters_get_c2(self)
1317 def get_scale(self):
1318 """get_scale(FitParameters self) -> double"""
1319 return _IMP_saxs.FitParameters_get_scale(self)
1322 def get_offset(self):
1323 """get_offset(FitParameters self) -> double"""
1324 return _IMP_saxs.FitParameters_get_offset(self)
1327 def get_default_chi(self):
1328 """get_default_chi(FitParameters self) -> double"""
1329 return _IMP_saxs.FitParameters_get_default_chi(self)
1332 def get_pdb_file_name(self):
1333 """get_pdb_file_name(FitParameters self) -> std::string"""
1334 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1337 def get_profile_file_name(self):
1338 """get_profile_file_name(FitParameters self) -> std::string"""
1339 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1342 def get_mol_index(self):
1343 """get_mol_index(FitParameters self) -> int"""
1344 return _IMP_saxs.FitParameters_get_mol_index(self)
1347 def set_chi(self, chi):
1348 """set_chi(FitParameters self, double chi)"""
1349 return _IMP_saxs.FitParameters_set_chi(self, chi)
1352 def set_default_chi(self, chi):
1353 """set_default_chi(FitParameters self, double chi)"""
1354 return _IMP_saxs.FitParameters_set_default_chi(self, chi)
1357 def set_profile_file_name(self, file_name):
1358 """set_profile_file_name(FitParameters self, std::string file_name)"""
1359 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1362 def set_pdb_file_name(self, file_name):
1363 """set_pdb_file_name(FitParameters self, std::string file_name)"""
1364 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1367 def set_mol_index(self, index):
1368 """set_mol_index(FitParameters self, int index)"""
1369 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1373 """show(FitParameters self, _ostream s)"""
1374 return _IMP_saxs.FitParameters_show(self, s)
1376 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1377 __del__ =
lambda self:
None
1378 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1379 FitParameters_swigregister(FitParameters)
1381 class WeightedFitParameters(FitParameters):
1382 """Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1384 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1385 __repr__ = _swig_repr
1387 def __init__(self, *args):
1389 __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1390 __init__(IMP::saxs::WeightedFitParameters self, double chi, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1392 this = _IMP_saxs.new_WeightedFitParameters(*args)
1394 self.this.append(this)
1398 def get_weights(self):
1399 """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1400 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1403 def set_weights(self, weights):
1404 """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1405 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1409 """show(WeightedFitParameters self, _ostream s)"""
1410 return _IMP_saxs.WeightedFitParameters_show(self, s)
1412 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1413 __del__ =
lambda self:
None
1414 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1415 WeightedFitParameters_swigregister(WeightedFitParameters)
1418 """Proxy of C++ IMP::saxs::ChiScore class."""
1420 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1423 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1424 this = _IMP_saxs.new_ChiScore()
1426 self.this.append(this)
1430 def compute_score(self, exp_profile, model_profile, use_offset=False):
1432 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1433 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1435 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1438 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1440 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1441 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1443 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1446 def compute_offset(self, exp_profile, model_profile):
1447 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1448 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1451 def get_version_info(self):
1452 """get_version_info(ChiScore self) -> VersionInfo"""
1453 return _IMP_saxs.ChiScore_get_version_info(self)
1457 """__str__(ChiScore self) -> std::string"""
1458 return _IMP_saxs.ChiScore___str__(self)
1462 """__repr__(ChiScore self) -> std::string"""
1463 return _IMP_saxs.ChiScore___repr__(self)
1468 return _object_cast_to_ChiScore(o)
1470 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1471 ChiScore_swigregister(ChiScore)
1474 """Proxy of C++ IMP::saxs::ChiScoreLog class."""
1476 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1479 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1480 this = _IMP_saxs.new_ChiScoreLog()
1482 self.this.append(this)
1486 def compute_score(self, *args):
1488 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1489 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1490 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1492 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1495 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1497 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1498 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1500 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1503 def compute_offset(self, exp_profile, model_profile):
1504 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1505 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1508 def get_version_info(self):
1509 """get_version_info(ChiScoreLog self) -> VersionInfo"""
1510 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1514 """__str__(ChiScoreLog self) -> std::string"""
1515 return _IMP_saxs.ChiScoreLog___str__(self)
1519 """__repr__(ChiScoreLog self) -> std::string"""
1520 return _IMP_saxs.ChiScoreLog___repr__(self)
1525 return _object_cast_to_ChiScoreLog(o)
1527 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1528 ChiScoreLog_swigregister(ChiScoreLog)
1531 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class."""
1533 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1534 __repr__ = _swig_repr
1536 def __init__(self, *args):
1538 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1539 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1541 this = _IMP_saxs.new_ProfileFitterChi(*args)
1543 self.this.append(this)
1547 def compute_score(self, *args):
1549 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1550 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1551 compute_score(ProfileFitterChi self, Profile model_profile) -> double
1553 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1556 def fit_profile(self, *args):
1558 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
1559 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
1560 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
1561 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1562 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1563 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1564 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1566 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1569 def compute_scale_factor(self, model_profile, offset=0.0):
1571 compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1572 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1574 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1577 def compute_offset(self, model_profile):
1578 """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1579 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1582 def resample(self, model_profile, resampled_profile):
1583 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1584 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1587 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1589 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)
1590 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1591 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1593 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1595 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1596 __del__ =
lambda self:
None
1597 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1598 ProfileFitterChi_swigregister(ProfileFitterChi)
1600 class WeightedProfileFitterChi(ProfileFitterChi):
1601 """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class."""
1603 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1604 __repr__ = _swig_repr
1606 def __init__(self, exp_profile):
1607 """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1608 this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1610 self.this.append(this)
1614 def compute_score(self, profiles, weights, NNLS=True):
1616 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool NNLS=True) -> double
1617 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1619 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, NNLS)
1622 def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0):
1624 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
1625 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
1626 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1627 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1628 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1630 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2)
1633 def write_fit_file(self, partial_profiles, fp, fit_file_name):
1634 """write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)"""
1635 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name)
1637 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1638 __del__ =
lambda self:
None
1639 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1640 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1643 """Proxy of C++ IMP::saxs::Restraint class."""
1645 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1646 __repr__ = _swig_repr
1648 def __init__(self, *args):
1650 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1651 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1653 this = _IMP_saxs.new_Restraint(*args)
1655 self.this.append(this)
1659 if self.__class__ != Restraint:
1660 _director_objects.register(self)
1665 def do_get_inputs(self):
1666 """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1667 return _IMP_saxs.Restraint_do_get_inputs(self)
1670 def get_version_info(self):
1671 """get_version_info(Restraint self) -> VersionInfo"""
1672 return _IMP_saxs.Restraint_get_version_info(self)
1674 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1675 Restraint_swigregister(Restraint)
1677 class RadiusOfGyrationRestraint(Restraint):
1678 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1680 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1681 __repr__ = _swig_repr
1683 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1685 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1686 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1688 this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1690 self.this.append(this)
1693 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1694 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1696 class FloatDistribution(DistBase):
1697 """Proxy of C++ IMP::saxs::Distribution<(double)> class."""
1699 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1700 __repr__ = _swig_repr
1702 def __init__(self, *args):
1704 __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1705 __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1707 this = _IMP_saxs.new_FloatDistribution(*args)
1709 self.this.append(this)
1713 def get_max_distance(self):
1714 """get_max_distance(FloatDistribution self) -> double"""
1715 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1718 def get_bin_size(self):
1719 """get_bin_size(FloatDistribution self) -> double"""
1720 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1723 def get_index_from_distance(self, dist):
1724 """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1725 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1728 def get_distance_from_index(self, index):
1729 """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1730 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1732 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1733 __del__ =
lambda self:
None
1734 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1735 FloatDistribution_swigregister(FloatDistribution)
1737 class VectorDistribution(object):
1738 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class."""
1740 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1741 __repr__ = _swig_repr
1743 def __init__(self, *args):
1745 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1746 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1748 this = _IMP_saxs.new_VectorDistribution(*args)
1750 self.this.append(this)
1754 def get_max_distance(self):
1755 """get_max_distance(VectorDistribution self) -> double"""
1756 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1759 def get_bin_size(self):
1760 """get_bin_size(VectorDistribution self) -> double"""
1761 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1764 def get_index_from_distance(self, dist):
1765 """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1766 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1769 def get_distance_from_index(self, index):
1770 """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1771 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1773 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1774 __del__ =
lambda self:
None
1775 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1776 VectorDistribution_swigregister(VectorDistribution)
1778 class RadialDistributionFunction(FloatDistribution):
1779 """Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1781 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1782 __repr__ = _swig_repr
1784 def __init__(self, *args):
1786 __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1787 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1788 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1790 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1792 self.this.append(this)
1797 """scale(RadialDistributionFunction self, double c)"""
1798 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1801 def add(self, model_pr):
1802 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1803 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1806 def show(self, *args):
1808 show(RadialDistributionFunction self, _ostream out)
1809 show(RadialDistributionFunction self)
1811 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1814 def R_factor_score(self, *args):
1816 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1817 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1819 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1822 def fit(self, *args):
1824 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1825 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1827 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1830 def normalize(self):
1831 """normalize(RadialDistributionFunction self)"""
1832 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1835 def add_to_distribution(self, dist, value):
1836 """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1837 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1839 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1840 __del__ =
lambda self:
None
1841 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1842 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1844 class DeltaDistributionFunction(VectorDistribution):
1845 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1847 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1848 __repr__ = _swig_repr
1850 def __init__(self, *args):
1852 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1853 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1854 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1856 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1858 self.this.append(this)
1862 def calculate_derivative_distribution(self, particle):
1863 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1864 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1867 def show(self, *args):
1869 show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1870 show(DeltaDistributionFunction self, _ostream out)
1871 show(DeltaDistributionFunction self)
1873 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1875 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1876 __del__ =
lambda self:
None
1877 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1878 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1880 class SolventAccessibleSurface(object):
1881 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1883 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1884 __repr__ = _swig_repr
1886 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1888 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1889 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1890 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1892 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1896 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1897 this = _IMP_saxs.new_SolventAccessibleSurface()
1899 self.this.append(this)
1902 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1903 __del__ =
lambda self:
None
1904 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1905 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1908 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class."""
1910 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1911 __repr__ = _swig_repr
1913 def __init__(self, *args):
1915 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1916 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1918 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1920 self.this.append(this)
1924 def compute_score(self, *args):
1926 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1927 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1928 compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1930 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1933 def fit_profile(self, *args):
1935 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
1936 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
1937 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
1938 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1939 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1940 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1941 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1943 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1946 def compute_scale_factor(self, model_profile, offset=0.0):
1948 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1949 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1951 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1954 def compute_offset(self, model_profile):
1955 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1956 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1959 def resample(self, model_profile, resampled_profile):
1960 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1961 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1964 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1966 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)
1967 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1968 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1970 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1972 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1973 __del__ =
lambda self:
None
1974 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1975 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1977 class ProfileFitterRatioVolatility(
IMP.Object):
1978 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class."""
1980 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1981 __repr__ = _swig_repr
1983 def __init__(self, *args):
1985 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1986 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1988 this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1990 self.this.append(this)
1994 def compute_score(self, *args):
1996 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1997 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1998 compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
2000 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
2003 def fit_profile(self, *args):
2005 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
2006 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
2007 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
2008 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
2009 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
2010 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
2011 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
2013 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
2016 def compute_scale_factor(self, model_profile, offset=0.0):
2018 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
2019 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
2021 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
2024 def compute_offset(self, model_profile):
2025 """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
2026 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
2029 def resample(self, model_profile, resampled_profile):
2030 """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
2031 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
2034 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
2036 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)
2037 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
2038 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
2040 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
2042 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
2043 __del__ =
lambda self:
None
2044 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
2045 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
2048 def get_module_version():
2049 """get_module_version() -> std::string const"""
2050 return _IMP_saxs.get_module_version()
2053 """get_example_path(std::string fname) -> std::string"""
2054 return _IMP_saxs.get_example_path(fname)
2057 """get_data_path(std::string fname) -> std::string"""
2058 return _IMP_saxs.get_data_path(fname)
2060 from .
import _version_check
2061 _version_check.check_version(get_module_version())
2062 __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.