11 from sys
import version_info
12 if version_info >= (2,6,0):
13 def swig_import_helper():
14 from os.path
import dirname
18 fp, pathname, description = imp.find_module(
'_IMP_saxs', [dirname(__file__)])
24 _mod = imp.load_module(
'_IMP_saxs', fp, pathname, description)
28 _IMP_saxs = swig_import_helper()
29 del swig_import_helper
34 _swig_property = property
37 def _swig_setattr_nondynamic(self,class_type,name,value,static=1):
38 if (name ==
"thisown"):
return self.this.own(value)
40 if type(value).__name__ ==
'SwigPyObject':
41 self.__dict__[name] = value
43 method = class_type.__swig_setmethods__.get(name,
None)
44 if method:
return method(self,value)
46 self.__dict__[name] = value
48 raise AttributeError(
"You cannot add attributes to %s" % self)
50 def _swig_setattr(self,class_type,name,value):
51 return _swig_setattr_nondynamic(self,class_type,name,value,0)
53 def _swig_getattr(self,class_type,name):
54 if (name ==
"thisown"):
return self.this.own()
55 method = class_type.__swig_getmethods__.get(name,
None)
56 if method:
return method(self)
57 raise AttributeError(name)
60 try: strthis =
"proxy of " + self.this.__repr__()
62 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
67 except AttributeError:
74 weakref_proxy = weakref.proxy
76 weakref_proxy =
lambda x: x
79 class IMP_SAXS_SwigPyIterator(_object):
80 """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class"""
81 __swig_setmethods__ = {}
82 __setattr__ =
lambda self, name, value: _swig_setattr(self, IMP_SAXS_SwigPyIterator, name, value)
83 __swig_getmethods__ = {}
84 __getattr__ =
lambda self, name: _swig_getattr(self, IMP_SAXS_SwigPyIterator, name)
85 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined - class is abstract")
87 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
88 __del__ =
lambda self :
None;
90 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
91 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
95 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
96 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
98 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
102 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
103 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
105 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
107 def distance(self, *args):
108 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
109 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, *args)
111 def equal(self, *args):
112 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
113 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, *args)
116 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
117 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
120 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
121 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
124 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
125 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
128 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
129 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
131 def advance(self, *args):
132 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
133 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, *args)
135 def __eq__(self, *args):
136 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
137 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, *args)
139 def __ne__(self, *args):
140 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
141 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, *args)
143 def __iadd__(self, *args):
144 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
145 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, *args)
147 def __isub__(self, *args):
148 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
149 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, *args)
151 def __add__(self, *args):
152 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
153 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, *args)
155 def __sub__(self, *args):
157 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
158 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
160 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
162 def __iter__(self):
return self
163 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
164 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
171 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
172 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
173 IMP_SILENT = _IMP_saxs.IMP_SILENT
174 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
175 IMP_TERSE = _IMP_saxs.IMP_TERSE
176 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
177 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
178 IMP_NONE = _IMP_saxs.IMP_NONE
179 IMP_USAGE = _IMP_saxs.IMP_USAGE
180 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
181 IMP_BASE_HAS_LOG4CXX = _IMP_saxs.IMP_BASE_HAS_LOG4CXX
182 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
183 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
184 IMP_BASE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_BASE_HAS_BOOST_RANDOM
185 IMP_BASE_HAS_GPERFTOOLS = _IMP_saxs.IMP_BASE_HAS_GPERFTOOLS
186 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
187 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
188 IMPBASE_SHOW_WARNINGS = _IMP_saxs.IMPBASE_SHOW_WARNINGS
190 class _DirectorObjects(object):
191 """@internal Simple class to keep references to director objects
192 to prevent premature deletion."""
195 def register(self, obj):
196 """Take a reference to a director object; will only work for
197 refcounted C++ classes"""
198 if hasattr(obj,
'get_ref_count'):
199 self._objects.append(obj)
201 """Only drop our reference and allow cleanup by Python if no other
202 Python references exist (we hold 3 references: one in self._objects,
203 one in x, and one in the argument list for getrefcount) *and* no
204 other C++ references exist (the Python object always holds one)"""
205 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
206 or x.get_ref_count() > 1]
210 def get_object_count(self):
211 """Get number of director objects (useful for testing only)"""
212 return len(self._objects)
213 _director_objects = _DirectorObjects()
215 DEFAULT_CHECK = _IMP_saxs.DEFAULT_CHECK
216 NONE = _IMP_saxs.NONE
217 USAGE = _IMP_saxs.USAGE
218 USAGE_AND_INTERNAL = _IMP_saxs.USAGE_AND_INTERNAL
221 """set_check_level(IMP::base::CheckLevel tf)"""
222 return _IMP_saxs.set_check_level(*args)
225 """get_check_level() -> IMP::base::CheckLevel"""
226 return _IMP_saxs.get_check_level()
227 class _ostream(_object):
228 """Proxy of C++ std::ostream class"""
229 __swig_setmethods__ = {}
230 __setattr__ =
lambda self, name, value: _swig_setattr(self, _ostream, name, value)
231 __swig_getmethods__ = {}
232 __getattr__ =
lambda self, name: _swig_getattr(self, _ostream, name)
233 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined")
234 __repr__ = _swig_repr
235 def write(self, *args):
236 """write(_ostream self, char const * osa_buf)"""
237 return _IMP_saxs._ostream_write(self, *args)
239 _ostream_swigregister = _IMP_saxs._ostream_swigregister
240 _ostream_swigregister(_ostream)
242 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
243 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
244 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
246 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
248 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
249 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
250 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
252 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
253 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
254 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
255 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
256 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
257 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
258 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
259 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
261 IMP_KERNEL_HAS_IMP_CGAL = _IMP_saxs.IMP_KERNEL_HAS_IMP_CGAL
262 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
263 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
264 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_SYSTEM
265 IMP_KERNEL_HAS_CGAL = _IMP_saxs.IMP_KERNEL_HAS_CGAL
266 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
268 IMP_DISPLAY_HAS_IMP_BASE = _IMP_saxs.IMP_DISPLAY_HAS_IMP_BASE
269 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
270 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
271 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
272 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
273 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
274 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
275 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
277 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
278 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
279 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
281 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
283 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
284 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
286 IMP_CORE_HAS_IMP_BASE = _IMP_saxs.IMP_CORE_HAS_IMP_BASE
287 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
288 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
289 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
290 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
291 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
292 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
293 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
294 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
295 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
297 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
298 IMP_CONTAINER_HAS_IMP_BASE = _IMP_saxs.IMP_CONTAINER_HAS_IMP_BASE
299 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
300 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
301 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
302 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
303 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
304 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
305 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
306 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
307 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
308 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
309 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
311 IMP_ATOM_HAS_IMP_BASE = _IMP_saxs.IMP_ATOM_HAS_IMP_BASE
312 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
313 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
314 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
315 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
316 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
317 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
318 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
319 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
320 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
321 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
322 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
323 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
324 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
326 IMP_SAXS_HAS_IMP_BASE = _IMP_saxs.IMP_SAXS_HAS_IMP_BASE
327 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
328 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
329 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
330 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
331 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
332 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
333 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
334 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
335 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
336 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
337 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
338 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
339 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
340 class DistBase(_object):
341 """Proxy of C++ std::vector<(double)> class"""
342 __swig_setmethods__ = {}
343 __setattr__ =
lambda self, name, value: _swig_setattr(self, DistBase, name, value)
344 __swig_getmethods__ = {}
345 __getattr__ =
lambda self, name: _swig_getattr(self, DistBase, name)
346 __repr__ = _swig_repr
348 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
349 return _IMP_saxs.DistBase_iterator(self)
351 def __iter__(self):
return self.iterator()
352 def __nonzero__(self):
353 """__nonzero__(DistBase self) -> bool"""
354 return _IMP_saxs.DistBase___nonzero__(self)
357 """__bool__(DistBase self) -> bool"""
358 return _IMP_saxs.DistBase___bool__(self)
361 """__len__(DistBase self) -> std::vector< double >::size_type"""
362 return _IMP_saxs.DistBase___len__(self)
365 """pop(DistBase self) -> std::vector< double >::value_type"""
366 return _IMP_saxs.DistBase_pop(self)
368 def __getslice__(self, *args):
369 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
370 return _IMP_saxs.DistBase___getslice__(self, *args)
372 def __setslice__(self, *args):
374 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j,
375 DistBase v=std::vector< double,std::allocator< double > >())
376 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
378 return _IMP_saxs.DistBase___setslice__(self, *args)
380 def __delslice__(self, *args):
381 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
382 return _IMP_saxs.DistBase___delslice__(self, *args)
384 def __delitem__(self, *args):
386 __delitem__(DistBase self, std::vector< double >::difference_type i)
387 __delitem__(DistBase self, PySliceObject * slice)
389 return _IMP_saxs.DistBase___delitem__(self, *args)
391 def __getitem__(self, *args):
393 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
394 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
396 return _IMP_saxs.DistBase___getitem__(self, *args)
398 def __setitem__(self, *args):
400 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
401 __setitem__(DistBase self, PySliceObject * slice)
402 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
404 return _IMP_saxs.DistBase___setitem__(self, *args)
406 def append(self, *args):
407 """append(DistBase self, std::vector< double >::value_type const & x)"""
408 return _IMP_saxs.DistBase_append(self, *args)
411 """empty(DistBase self) -> bool"""
412 return _IMP_saxs.DistBase_empty(self)
415 """size(DistBase self) -> std::vector< double >::size_type"""
416 return _IMP_saxs.DistBase_size(self)
419 """clear(DistBase self)"""
420 return _IMP_saxs.DistBase_clear(self)
422 def swap(self, *args):
423 """swap(DistBase self, DistBase v)"""
424 return _IMP_saxs.DistBase_swap(self, *args)
426 def get_allocator(self):
427 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
428 return _IMP_saxs.DistBase_get_allocator(self)
431 """begin(DistBase self) -> std::vector< double >::iterator"""
432 return _IMP_saxs.DistBase_begin(self)
435 """end(DistBase self) -> std::vector< double >::iterator"""
436 return _IMP_saxs.DistBase_end(self)
439 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
440 return _IMP_saxs.DistBase_rbegin(self)
443 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
444 return _IMP_saxs.DistBase_rend(self)
447 """pop_back(DistBase self)"""
448 return _IMP_saxs.DistBase_pop_back(self)
450 def erase(self, *args):
452 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
453 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
455 return _IMP_saxs.DistBase_erase(self, *args)
457 def __init__(self, *args):
459 __init__(std::vector<(double)> self) -> DistBase
460 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
461 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
462 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
464 this = _IMP_saxs.new_DistBase(*args)
465 try: self.this.append(this)
466 except: self.this = this
467 def push_back(self, *args):
468 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
469 return _IMP_saxs.DistBase_push_back(self, *args)
472 """front(DistBase self) -> std::vector< double >::value_type const &"""
473 return _IMP_saxs.DistBase_front(self)
476 """back(DistBase self) -> std::vector< double >::value_type const &"""
477 return _IMP_saxs.DistBase_back(self)
479 def assign(self, *args):
480 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
481 return _IMP_saxs.DistBase_assign(self, *args)
483 def resize(self, *args):
485 resize(DistBase self, std::vector< double >::size_type new_size)
486 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
488 return _IMP_saxs.DistBase_resize(self, *args)
490 def insert(self, *args):
492 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
493 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
495 return _IMP_saxs.DistBase_insert(self, *args)
497 def reserve(self, *args):
498 """reserve(DistBase self, std::vector< double >::size_type n)"""
499 return _IMP_saxs.DistBase_reserve(self, *args)
502 """capacity(DistBase self) -> std::vector< double >::size_type"""
503 return _IMP_saxs.DistBase_capacity(self)
505 __swig_destroy__ = _IMP_saxs.delete_DistBase
506 __del__ =
lambda self :
None;
507 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
508 DistBase_swigregister(DistBase)
510 _object_types.append(
"Profile")
513 def _object_cast_to_Profile(*args):
514 """_object_cast_to_Profile(Object o) -> Profile"""
515 return _IMP_saxs._object_cast_to_Profile(*args)
516 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
517 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
518 CA_ATOMS = _IMP_saxs.CA_ATOMS
519 class FormFactorTable(_object):
520 """Proxy of C++ IMP::saxs::FormFactorTable class"""
521 __swig_setmethods__ = {}
522 __setattr__ =
lambda self, name, value: _swig_setattr(self, FormFactorTable, name, value)
523 __swig_getmethods__ = {}
524 __getattr__ =
lambda self, name: _swig_getattr(self, FormFactorTable, name)
525 __repr__ = _swig_repr
526 def __init__(self, *args):
528 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
529 __init__(IMP::saxs::FormFactorTable self, IMP::String const & table_name, IMP::Float min_q, IMP::Float max_q, IMP::Float delta_q) -> FormFactorTable
531 this = _IMP_saxs.new_FormFactorTable(*args)
532 try: self.this.append(this)
533 except: self.this = this
534 def get_form_factor(self, *args):
536 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
537 get_form_factor(FormFactorTable self, Particle p) -> IMP::Float
539 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
541 def get_vacuum_form_factor(self, *args):
543 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
544 get_vacuum_form_factor(FormFactorTable self, Particle p) -> IMP::Float
546 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
548 def get_dummy_form_factor(self, *args):
550 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
551 get_dummy_form_factor(FormFactorTable self, Particle p) -> IMP::Float
553 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
555 def get_water_form_factor(self):
556 """get_water_form_factor(FormFactorTable self) -> IMP::Float"""
557 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
559 def get_vacuum_water_form_factor(self):
560 """get_vacuum_water_form_factor(FormFactorTable self) -> IMP::Float"""
561 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
563 def get_dummy_water_form_factor(self):
564 """get_dummy_water_form_factor(FormFactorTable self) -> IMP::Float"""
565 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
567 def get_form_factors(self, *args):
569 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
570 get_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
572 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
574 def get_vacuum_form_factors(self, *args):
576 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
577 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
579 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
581 def get_dummy_form_factors(self, *args):
583 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
584 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
586 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
588 def get_water_form_factors(self):
589 """get_water_form_factors(FormFactorTable self) -> IMP::Floats const &"""
590 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
592 def get_water_vacuum_form_factors(self):
593 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Floats const &"""
594 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
596 def get_water_dummy_form_factors(self):
597 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Floats const &"""
598 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
600 def get_radius(self, *args):
602 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
603 get_radius(FormFactorTable self, Particle p) -> IMP::Float
605 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
609 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
610 get_volume(FormFactorTable self, Particle p) -> IMP::Float
612 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
614 def show(self, *args):
616 show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")
617 show(FormFactorTable self, _ostream out=std::cout)
618 show(FormFactorTable self)
620 return _IMP_saxs.FormFactorTable_show(self, *args)
622 __swig_setmethods__[
"rho_"] = _IMP_saxs.FormFactorTable_rho__set
623 __swig_getmethods__[
"rho_"] = _IMP_saxs.FormFactorTable_rho__get
624 if _newclass:rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
625 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
626 __del__ =
lambda self :
None;
627 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
628 FormFactorTable_swigregister(FormFactorTable)
629 cvar = _IMP_saxs.cvar
633 """get_default_form_factor_table() -> FormFactorTable"""
634 return _IMP_saxs.get_default_form_factor_table()
636 """Proxy of C++ IMP::saxs::Profile class"""
637 __swig_setmethods__ = {}
638 for _s
in [
IMP.base.Object]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
639 __setattr__ =
lambda self, name, value: _swig_setattr(self, Profile, name, value)
640 __swig_getmethods__ = {}
641 for _s
in [
IMP.base.Object]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
642 __getattr__ =
lambda self, name: _swig_getattr(self, Profile, name)
643 def __init__(self, *args):
645 __init__(IMP::saxs::Profile self, IMP::String const & file_name, bool fit_file=False) -> Profile
646 __init__(IMP::saxs::Profile self, IMP::String const & file_name) -> Profile
647 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0, IMP::Float qmax=0.5, IMP::Float delta=0.005) -> Profile
648 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0, IMP::Float qmax=0.5) -> Profile
649 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0) -> Profile
650 __init__(IMP::saxs::Profile self) -> Profile
652 this = _IMP_saxs.new_Profile(*args)
653 try: self.this.append(this)
654 except: self.this = this
655 def calculate_profile_partial(self, *args):
657 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats(),
658 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
659 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats())
660 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles)
661 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
662 IMP::Floats const & surface1=IMP::Floats(), IMP::Floats const & surface2=IMP::Floats(),
663 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
664 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
665 IMP::Floats const & surface1=IMP::Floats(), IMP::Floats const & surface2=IMP::Floats())
666 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
667 IMP::Floats const & surface1=IMP::Floats())
668 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2)
670 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
672 def calculate_profile_reciprocal_partial(self, *args):
674 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats(),
675 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
676 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats())
677 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles)
679 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
681 def calculate_profile(self, *args):
683 calculate_profile(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS,
684 bool reciprocal=False)
685 calculate_profile(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
686 calculate_profile(Profile self, IMP::kernel::Particles const & particles)
687 calculate_profile(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
688 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
689 calculate_profile(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2)
691 return _IMP_saxs.Profile_calculate_profile(self, *args)
693 def calculate_I0(self, *args):
695 calculate_I0(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
696 calculate_I0(Profile self, IMP::kernel::Particles const & particles) -> IMP::Float
698 return _IMP_saxs.Profile_calculate_I0(self, *args)
700 def calculate_profile_constant_form_factor(self, *args):
702 calculate_profile_constant_form_factor(Profile self, IMP::kernel::Particles const & particles, IMP::Float form_factor=1.0)
703 calculate_profile_constant_form_factor(Profile self, IMP::kernel::Particles const & particles)
705 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, *args)
707 def calculate_profile_symmetric(self, *args):
709 calculate_profile_symmetric(Profile self, IMP::kernel::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
710 calculate_profile_symmetric(Profile self, IMP::kernel::Particles const & particles, unsigned int n)
712 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
714 def profile_2_distribution(self, *args):
715 """profile_2_distribution(Profile self, RadialDistributionFunction rd, IMP::Float max_distance)"""
716 return _IMP_saxs.Profile_profile_2_distribution(self, *args)
718 def distribution_2_profile(self, *args):
719 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
720 return _IMP_saxs.Profile_distribution_2_profile(self, *args)
722 def resample(self, *args):
724 resample(Profile self, Profile exp_profile, Profile resampled_profile, bool partial_profiles=False)
725 resample(Profile self, Profile exp_profile, Profile resampled_profile)
727 return _IMP_saxs.Profile_resample(self, *args)
729 def downsample(self, *args):
730 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
731 return _IMP_saxs.Profile_downsample(self, *args)
735 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
736 radius_of_gyration(Profile self) -> double
738 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
740 def read_SAXS_file(self, *args):
742 read_SAXS_file(Profile self, IMP::String const & file_name, bool fit_file=False)
743 read_SAXS_file(Profile self, IMP::String const & file_name)
745 return _IMP_saxs.Profile_read_SAXS_file(self, *args)
747 def write_SAXS_file(self, *args):
749 write_SAXS_file(Profile self, IMP::String const & file_name, IMP::Float max_q=0.0)
750 write_SAXS_file(Profile self, IMP::String const & file_name)
752 return _IMP_saxs.Profile_write_SAXS_file(self, *args)
754 def read_partial_profiles(self, *args):
755 """read_partial_profiles(Profile self, IMP::String const & file_name)"""
756 return _IMP_saxs.Profile_read_partial_profiles(self, *args)
758 def write_partial_profiles(self, *args):
759 """write_partial_profiles(Profile self, IMP::String const & file_name)"""
760 return _IMP_saxs.Profile_write_partial_profiles(self, *args)
762 def get_delta_q(self):
763 """get_delta_q(Profile self) -> IMP::Float"""
764 return _IMP_saxs.Profile_get_delta_q(self)
767 """get_min_q(Profile self) -> IMP::Float"""
768 return _IMP_saxs.Profile_get_min_q(self)
771 """get_max_q(Profile self) -> IMP::Float"""
772 return _IMP_saxs.Profile_get_max_q(self)
774 def get_intensity(self, *args):
775 """get_intensity(Profile self, unsigned int i) -> IMP::Float"""
776 return _IMP_saxs.Profile_get_intensity(self, *args)
778 def get_q(self, *args):
779 """get_q(Profile self, unsigned int i) -> IMP::Float"""
780 return _IMP_saxs.Profile_get_q(self, *args)
782 def get_error(self, *args):
783 """get_error(Profile self, unsigned int i) -> IMP::Float"""
784 return _IMP_saxs.Profile_get_error(self, *args)
786 def get_weight(self, *args):
787 """get_weight(Profile self, unsigned int i) -> IMP::Float"""
788 return _IMP_saxs.Profile_get_weight(self, *args)
790 def get_average_radius(self):
791 """get_average_radius(Profile self) -> IMP::Float"""
792 return _IMP_saxs.Profile_get_average_radius(self)
795 """size(Profile self) -> unsigned int"""
796 return _IMP_saxs.Profile_size(self)
798 def is_uniform_sampling(self):
799 """is_uniform_sampling(Profile self) -> bool"""
800 return _IMP_saxs.Profile_is_uniform_sampling(self)
803 """get_name(Profile self) -> std::string"""
804 return _IMP_saxs.Profile_get_name(self)
807 """get_id(Profile self) -> unsigned int"""
808 return _IMP_saxs.Profile_get_id(self)
810 def set_intensity(self, *args):
811 """set_intensity(Profile self, unsigned int i, IMP::Float iq)"""
812 return _IMP_saxs.Profile_set_intensity(self, *args)
814 def set_ff_table(self, *args):
815 """set_ff_table(Profile self, FormFactorTable ff_table)"""
816 return _IMP_saxs.Profile_set_ff_table(self, *args)
818 def set_average_radius(self, *args):
819 """set_average_radius(Profile self, IMP::Float r)"""
820 return _IMP_saxs.Profile_set_average_radius(self, *args)
822 def set_average_volume(self, *args):
823 """set_average_volume(Profile self, IMP::Float v)"""
824 return _IMP_saxs.Profile_set_average_volume(self, *args)
826 def set_name(self, *args):
827 """set_name(Profile self, std::string name)"""
828 return _IMP_saxs.Profile_set_name(self, *args)
830 def set_id(self, *args):
831 """set_id(Profile self, unsigned int id)"""
832 return _IMP_saxs.Profile_set_id(self, *args)
834 def set_beam_profile(self, *args):
835 """set_beam_profile(Profile self, std::string beam_profile_file)"""
836 return _IMP_saxs.Profile_set_beam_profile(self, *args)
838 def add_entry(self, *args):
840 add_entry(Profile self, IMP::Float q, IMP::Float intensity, IMP::Float error=1.0)
841 add_entry(Profile self, IMP::Float q, IMP::Float intensity)
843 return _IMP_saxs.Profile_add_entry(self, *args)
845 def add_errors(self):
846 """add_errors(Profile self)"""
847 return _IMP_saxs.Profile_add_errors(self)
849 def add_noise(self, percentage=0.03):
851 add_noise(Profile self, IMP::Float percentage=0.03)
852 add_noise(Profile self)
854 return _IMP_saxs.Profile_add_noise(self, percentage)
856 def sum_partial_profiles(self, *args):
858 sum_partial_profiles(Profile self, IMP::Float c1, IMP::Float c2, bool check_cashed=True)
859 sum_partial_profiles(Profile self, IMP::Float c1, IMP::Float c2)
861 return _IMP_saxs.Profile_sum_partial_profiles(self, *args)
863 def add(self, *args):
865 add(Profile self, Profile other_profile, IMP::Float weight=1.0)
866 add(Profile self, Profile other_profile)
867 add(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles,
868 DistBase weights=std::vector< IMP::Float >())
869 add(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles)
871 return _IMP_saxs.Profile_add(self, *args)
873 def add_partial_profiles(self, *args):
875 add_partial_profiles(Profile self, Profile other_profile, IMP::Float weight=1.0)
876 add_partial_profiles(Profile self, Profile other_profile)
877 add_partial_profiles(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles,
878 DistBase weights=std::vector< IMP::Float >())
879 add_partial_profiles(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles)
881 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
883 def background_adjust(self, *args):
884 """background_adjust(Profile self, double start_q)"""
885 return _IMP_saxs.Profile_background_adjust(self, *args)
887 def scale(self, *args):
888 """scale(Profile self, IMP::Float c)"""
889 return _IMP_saxs.Profile_scale(self, *args)
891 def offset(self, *args):
892 """offset(Profile self, IMP::Float c)"""
893 return _IMP_saxs.Profile_offset(self, *args)
895 def copy_errors(self, *args):
896 """copy_errors(Profile self, Profile exp_profile)"""
897 return _IMP_saxs.Profile_copy_errors(self, *args)
899 def get_version_info(self):
900 """get_version_info(Profile self) -> VersionInfo"""
901 return _IMP_saxs.Profile_get_version_info(self)
904 """__str__(Profile self) -> std::string"""
905 return _IMP_saxs.Profile___str__(self)
908 """__repr__(Profile self) -> std::string"""
909 return _IMP_saxs.Profile___repr__(self)
912 return _object_cast_to_Profile(o)
913 get_from = staticmethod(get_from)
915 Profile_swigregister = _IMP_saxs.Profile_swigregister
916 Profile_swigregister(Profile)
917 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
919 class FitParameters(_object):
920 """Proxy of C++ IMP::saxs::FitParameters class"""
921 __swig_setmethods__ = {}
922 __setattr__ =
lambda self, name, value: _swig_setattr(self, FitParameters, name, value)
923 __swig_getmethods__ = {}
924 __getattr__ =
lambda self, name: _swig_getattr(self, FitParameters, name)
925 __repr__ = _swig_repr
926 def __init__(self, *args):
928 __init__(IMP::saxs::FitParameters self) -> FitParameters
929 __init__(IMP::saxs::FitParameters self, float chi, float c1, float c2, float c, float o) -> FitParameters
930 __init__(IMP::saxs::FitParameters self, float chi, float c1, float c2) -> FitParameters
932 this = _IMP_saxs.new_FitParameters(*args)
933 try: self.this.append(this)
934 except: self.this = this
936 """get_score(FitParameters self) -> float"""
937 return _IMP_saxs.FitParameters_get_score(self)
940 """get_chi(FitParameters self) -> float"""
941 return _IMP_saxs.FitParameters_get_chi(self)
944 """get_c1(FitParameters self) -> float"""
945 return _IMP_saxs.FitParameters_get_c1(self)
948 """get_c2(FitParameters self) -> float"""
949 return _IMP_saxs.FitParameters_get_c2(self)
952 """get_scale(FitParameters self) -> float"""
953 return _IMP_saxs.FitParameters_get_scale(self)
955 def get_offset(self):
956 """get_offset(FitParameters self) -> float"""
957 return _IMP_saxs.FitParameters_get_offset(self)
959 def get_default_chi(self):
960 """get_default_chi(FitParameters self) -> float"""
961 return _IMP_saxs.FitParameters_get_default_chi(self)
963 def get_pdb_file_name(self):
964 """get_pdb_file_name(FitParameters self) -> std::string"""
965 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
967 def get_profile_file_name(self):
968 """get_profile_file_name(FitParameters self) -> std::string"""
969 return _IMP_saxs.FitParameters_get_profile_file_name(self)
971 def get_mol_index(self):
972 """get_mol_index(FitParameters self) -> int"""
973 return _IMP_saxs.FitParameters_get_mol_index(self)
975 def set_chi(self, *args):
976 """set_chi(FitParameters self, float chi)"""
977 return _IMP_saxs.FitParameters_set_chi(self, *args)
979 def set_default_chi(self, *args):
980 """set_default_chi(FitParameters self, float chi)"""
981 return _IMP_saxs.FitParameters_set_default_chi(self, *args)
983 def set_profile_file_name(self, *args):
984 """set_profile_file_name(FitParameters self, std::string file_name)"""
985 return _IMP_saxs.FitParameters_set_profile_file_name(self, *args)
987 def set_pdb_file_name(self, *args):
988 """set_pdb_file_name(FitParameters self, std::string file_name)"""
989 return _IMP_saxs.FitParameters_set_pdb_file_name(self, *args)
991 def set_mol_index(self, *args):
992 """set_mol_index(FitParameters self, int index)"""
993 return _IMP_saxs.FitParameters_set_mol_index(self, *args)
995 def show(self, *args):
996 """show(FitParameters self, _ostream s)"""
997 return _IMP_saxs.FitParameters_show(self, *args)
999 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1000 __del__ =
lambda self :
None;
1001 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1002 FitParameters_swigregister(FitParameters)
1004 class WeightedFitParameters(FitParameters):
1005 """Proxy of C++ IMP::saxs::WeightedFitParameters class"""
1006 __swig_setmethods__ = {}
1007 for _s
in [FitParameters]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1008 __setattr__ =
lambda self, name, value: _swig_setattr(self, WeightedFitParameters, name, value)
1009 __swig_getmethods__ = {}
1010 for _s
in [FitParameters]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1011 __getattr__ =
lambda self, name: _swig_getattr(self, WeightedFitParameters, name)
1012 __repr__ = _swig_repr
1013 def __init__(self, *args):
1014 """__init__(IMP::saxs::WeightedFitParameters self, float chi, float c1, float c2, IMP::Floats weights) -> WeightedFitParameters"""
1015 this = _IMP_saxs.new_WeightedFitParameters(*args)
1016 try: self.this.append(this)
1017 except: self.this = this
1018 def get_weights(self):
1019 """get_weights(WeightedFitParameters self) -> IMP::Floats const &"""
1020 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1022 def set_weights(self, *args):
1023 """set_weights(WeightedFitParameters self, IMP::Floats const & weights)"""
1024 return _IMP_saxs.WeightedFitParameters_set_weights(self, *args)
1026 def show(self, *args):
1027 """show(WeightedFitParameters self, _ostream s)"""
1028 return _IMP_saxs.WeightedFitParameters_show(self, *args)
1030 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1031 __del__ =
lambda self :
None;
1032 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1033 WeightedFitParameters_swigregister(WeightedFitParameters)
1035 class ChiScore(_object):
1036 """Proxy of C++ IMP::saxs::ChiScore class"""
1037 __swig_setmethods__ = {}
1038 __setattr__ =
lambda self, name, value: _swig_setattr(self, ChiScore, name, value)
1039 __swig_getmethods__ = {}
1040 __getattr__ =
lambda self, name: _swig_getattr(self, ChiScore, name)
1041 __repr__ = _swig_repr
1042 def compute_score(self, *args):
1044 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> IMP::Float
1045 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float
1046 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1048 return _IMP_saxs.ChiScore_compute_score(self, *args)
1050 def compute_scale_factor(self, *args):
1052 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1053 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float
1055 return _IMP_saxs.ChiScore_compute_scale_factor(self, *args)
1057 def compute_offset(self, *args):
1058 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float"""
1059 return _IMP_saxs.ChiScore_compute_offset(self, *args)
1062 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1063 this = _IMP_saxs.new_ChiScore()
1064 try: self.this.append(this)
1065 except: self.this = this
1066 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1067 __del__ =
lambda self :
None;
1068 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1069 ChiScore_swigregister(ChiScore)
1071 class ChiScoreLog(_object):
1072 """Proxy of C++ IMP::saxs::ChiScoreLog class"""
1073 __swig_setmethods__ = {}
1074 __setattr__ =
lambda self, name, value: _swig_setattr(self, ChiScoreLog, name, value)
1075 __swig_getmethods__ = {}
1076 __getattr__ =
lambda self, name: _swig_getattr(self, ChiScoreLog, name)
1077 __repr__ = _swig_repr
1078 def compute_score(self, *args):
1080 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> IMP::Float
1081 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float
1082 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1084 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1086 def compute_scale_factor(self, *args):
1088 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1089 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float
1091 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, *args)
1093 def compute_offset(self, *args):
1094 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float"""
1095 return _IMP_saxs.ChiScoreLog_compute_offset(self, *args)
1098 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1099 this = _IMP_saxs.new_ChiScoreLog()
1100 try: self.this.append(this)
1101 except: self.this = this
1102 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1103 __del__ =
lambda self :
None;
1104 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1105 ChiScoreLog_swigregister(ChiScoreLog)
1108 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class"""
1109 __swig_setmethods__ = {}
1110 for _s
in [
IMP.base.Object]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1111 __setattr__ =
lambda self, name, value: _swig_setattr(self, ProfileFitterChi, name, value)
1112 __swig_getmethods__ = {}
1113 for _s
in [
IMP.base.Object]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1114 __getattr__ =
lambda self, name: _swig_getattr(self, ProfileFitterChi, name)
1115 __repr__ = _swig_repr
1116 def __init__(self, *args):
1118 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1119 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1121 this = _IMP_saxs.new_ProfileFitterChi(*args)
1122 try: self.this.append(this)
1123 except: self.this = this
1124 def compute_score(self, *args):
1126 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> IMP::Float
1127 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> IMP::Float
1128 compute_score(ProfileFitterChi self, Profile model_profile) -> IMP::Float
1129 compute_score(ProfileFitterChi self, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1131 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1133 def fit_profile(self, *args):
1135 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1136 float max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters
1137 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1138 float max_c2=4.0, bool use_offset=False) -> FitParameters
1139 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1140 float max_c2=4.0) -> FitParameters
1141 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0) -> FitParameters
1142 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05) -> FitParameters
1143 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95) -> FitParameters
1144 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1146 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1148 def compute_scale_factor(self, *args):
1150 compute_scale_factor(ProfileFitterChi self, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1151 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> IMP::Float
1153 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, *args)
1155 def compute_offset(self, *args):
1156 """compute_offset(ProfileFitterChi self, Profile model_profile) -> IMP::Float"""
1157 return _IMP_saxs.ProfileFitterChi_compute_offset(self, *args)
1159 def resample(self, *args):
1160 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1161 return _IMP_saxs.ProfileFitterChi_resample(self, *args)
1163 def write_SAXS_fit_file(self, *args):
1165 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1166 IMP::Float const c=1, IMP::Float const offset=0)
1167 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1168 IMP::Float const c=1)
1169 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square)
1171 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, *args)
1173 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1174 __del__ =
lambda self :
None;
1175 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1176 ProfileFitterChi_swigregister(ProfileFitterChi)
1178 class WeightedProfileFitter(ProfileFitterChi):
1179 """Proxy of C++ IMP::saxs::WeightedProfileFitter class"""
1180 __swig_setmethods__ = {}
1181 for _s
in [ProfileFitterChi]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1182 __setattr__ =
lambda self, name, value: _swig_setattr(self, WeightedProfileFitter, name, value)
1183 __swig_getmethods__ = {}
1184 for _s
in [ProfileFitterChi]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1185 __getattr__ =
lambda self, name: _swig_getattr(self, WeightedProfileFitter, name)
1186 __repr__ = _swig_repr
1187 def __init__(self, *args):
1188 """__init__(IMP::saxs::WeightedProfileFitter self, Profile exp_profile) -> WeightedProfileFitter"""
1189 this = _IMP_saxs.new_WeightedProfileFitter(*args)
1190 try: self.this.append(this)
1191 except: self.this = this
1192 def compute_score(self, *args):
1194 compute_score(WeightedProfileFitter self, IMP::saxs::ProfilesTemp const & profiles, DistBase weights, bool NNLS=True) -> IMP::Float
1195 compute_score(WeightedProfileFitter self, IMP::saxs::ProfilesTemp const & profiles, DistBase weights) -> IMP::Float
1197 return _IMP_saxs.WeightedProfileFitter_compute_score(self, *args)
1199 def fit_profile(self, *args):
1201 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1202 float max_c2=4.0) -> WeightedFitParameters
1203 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0) -> WeightedFitParameters
1204 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95, float max_c1=1.05) -> WeightedFitParameters
1205 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95) -> WeightedFitParameters
1206 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1208 return _IMP_saxs.WeightedProfileFitter_fit_profile(self, *args)
1210 def write_fit_file(self, *args):
1211 """write_fit_file(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)"""
1212 return _IMP_saxs.WeightedProfileFitter_write_fit_file(self, *args)
1214 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitter
1215 __del__ =
lambda self :
None;
1216 WeightedProfileFitter_swigregister = _IMP_saxs.WeightedProfileFitter_swigregister
1217 WeightedProfileFitter_swigregister(WeightedProfileFitter)
1220 """Proxy of C++ IMP::saxs::DerivativeCalculator class"""
1221 __swig_setmethods__ = {}
1222 for _s
in [
IMP.base.Object]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1223 __setattr__ =
lambda self, name, value: _swig_setattr(self, DerivativeCalculator, name, value)
1224 __swig_getmethods__ = {}
1225 for _s
in [
IMP.base.Object]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1226 __getattr__ =
lambda self, name: _swig_getattr(self, DerivativeCalculator, name)
1227 __repr__ = _swig_repr
1228 def __init__(self, *args):
1229 """__init__(IMP::saxs::DerivativeCalculator self, Profile exp_profile) -> DerivativeCalculator"""
1230 this = _IMP_saxs.new_DerivativeCalculator(*args)
1231 try: self.this.append(this)
1232 except: self.this = this
1233 def compute_chisquare_derivative(self, *args):
1235 compute_chisquare_derivative(DerivativeCalculator self, Profile model_profile, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
1236 std::vector< IMP::algebra::Vector3D,std::allocator< IMP::algebra::Vector3D > > & derivatives,
1237 DistBase effect_size)
1238 compute_chisquare_derivative(DerivativeCalculator self, Profile model_profile, IMP::kernel::Particles const & particles, std::vector< IMP::algebra::Vector3D,std::allocator< IMP::algebra::Vector3D > > & derivatives,
1239 DistBase effect_size)
1241 return _IMP_saxs.DerivativeCalculator_compute_chisquare_derivative(self, *args)
1243 def compute_gaussian_effect_size(self, *args):
1244 """compute_gaussian_effect_size(DerivativeCalculator self, Profile model_profile, IMP::Float const c, IMP::Float const offset, DistBase effect_size)"""
1245 return _IMP_saxs.DerivativeCalculator_compute_gaussian_effect_size(self, *args)
1247 __swig_destroy__ = _IMP_saxs.delete_DerivativeCalculator
1248 __del__ =
lambda self :
None;
1249 DerivativeCalculator_swigregister = _IMP_saxs.DerivativeCalculator_swigregister
1250 DerivativeCalculator_swigregister(DerivativeCalculator)
1253 """Proxy of C++ IMP::saxs::Restraint class"""
1254 __swig_setmethods__ = {}
1255 for _s
in [
IMP.kernel.Restraint]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1256 __setattr__ =
lambda self, name, value: _swig_setattr(self, Restraint, name, value)
1257 __swig_getmethods__ = {}
1258 for _s
in [
IMP.kernel.Restraint]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1259 __getattr__ =
lambda self, name: _swig_getattr(self, Restraint, name)
1260 __repr__ = _swig_repr
1261 def __init__(self, *args):
1263 __init__(IMP::saxs::Restraint self, IMP::kernel::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1264 __init__(IMP::saxs::Restraint self, IMP::kernel::Particles const & particles, Profile exp_profile) -> Restraint
1266 this = _IMP_saxs.new_Restraint(*args)
1267 try: self.this.append(this)
1268 except: self.this = this
1269 if self.__class__ != Restraint:
1271 IMP.base._director_objects.register(self)
1275 def do_get_inputs(self):
1276 """do_get_inputs(Restraint self) -> IMP::kernel::ModelObjectsTemp"""
1277 return _IMP_saxs.Restraint_do_get_inputs(self)
1279 def get_version_info(self):
1280 """get_version_info(Restraint self) -> VersionInfo"""
1281 return _IMP_saxs.Restraint_get_version_info(self)
1283 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1284 Restraint_swigregister(Restraint)
1287 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class"""
1288 __swig_setmethods__ = {}
1289 for _s
in [
IMP.kernel.Restraint]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1290 __setattr__ =
lambda self, name, value: _swig_setattr(self, RadiusOfGyrationRestraint, name, value)
1291 __swig_getmethods__ = {}
1292 for _s
in [
IMP.kernel.Restraint]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1293 __getattr__ =
lambda self, name: _swig_getattr(self, RadiusOfGyrationRestraint, name)
1294 __repr__ = _swig_repr
1295 def __init__(self, *args):
1297 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::kernel::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1298 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::kernel::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1300 this = _IMP_saxs.new_RadiusOfGyrationRestraint(*args)
1301 try: self.this.append(this)
1302 except: self.this = this
1303 def do_get_inputs(self):
1304 """do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1305 return _IMP_saxs.RadiusOfGyrationRestraint_do_get_inputs(self)
1307 def get_version_info(self):
1308 """get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1309 return _IMP_saxs.RadiusOfGyrationRestraint_get_version_info(self)
1311 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1312 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1314 class FloatDistribution(DistBase):
1315 """Proxy of C++ IMP::saxs::Distribution<(IMP::Float)> class"""
1316 __swig_setmethods__ = {}
1317 for _s
in [DistBase]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1318 __setattr__ =
lambda self, name, value: _swig_setattr(self, FloatDistribution, name, value)
1319 __swig_getmethods__ = {}
1320 for _s
in [DistBase]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1321 __getattr__ =
lambda self, name: _swig_getattr(self, FloatDistribution, name)
1322 __repr__ = _swig_repr
1323 def __init__(self, *args):
1325 __init__(IMP::saxs::Distribution<(IMP::Float)> self, IMP::Float bin_size=pr_resolution) -> FloatDistribution
1326 __init__(IMP::saxs::Distribution<(IMP::Float)> self) -> FloatDistribution
1328 this = _IMP_saxs.new_FloatDistribution(*args)
1329 try: self.this.append(this)
1330 except: self.this = this
1331 def get_max_distance(self):
1332 """get_max_distance(FloatDistribution self) -> IMP::Float"""
1333 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1335 def get_bin_size(self):
1336 """get_bin_size(FloatDistribution self) -> IMP::Float"""
1337 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1339 def get_index_from_distance(self, *args):
1340 """get_index_from_distance(FloatDistribution self, IMP::Float dist) -> unsigned int"""
1341 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, *args)
1343 def get_distance_from_index(self, *args):
1344 """get_distance_from_index(FloatDistribution self, unsigned int index) -> IMP::Float"""
1345 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, *args)
1347 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1348 __del__ =
lambda self :
None;
1349 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1350 FloatDistribution_swigregister(FloatDistribution)
1352 class VectorDistribution(_object):
1353 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class"""
1354 __swig_setmethods__ = {}
1355 __setattr__ =
lambda self, name, value: _swig_setattr(self, VectorDistribution, name, value)
1356 __swig_getmethods__ = {}
1357 __getattr__ =
lambda self, name: _swig_getattr(self, VectorDistribution, name)
1358 __repr__ = _swig_repr
1359 def __init__(self, *args):
1361 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, IMP::Float bin_size=pr_resolution) -> VectorDistribution
1362 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1364 this = _IMP_saxs.new_VectorDistribution(*args)
1365 try: self.this.append(this)
1366 except: self.this = this
1367 def get_max_distance(self):
1368 """get_max_distance(VectorDistribution self) -> IMP::Float"""
1369 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1371 def get_bin_size(self):
1372 """get_bin_size(VectorDistribution self) -> IMP::Float"""
1373 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1375 def get_index_from_distance(self, *args):
1376 """get_index_from_distance(VectorDistribution self, IMP::Float dist) -> unsigned int"""
1377 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, *args)
1379 def get_distance_from_index(self, *args):
1380 """get_distance_from_index(VectorDistribution self, unsigned int index) -> IMP::Float"""
1381 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, *args)
1383 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1384 __del__ =
lambda self :
None;
1385 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1386 VectorDistribution_swigregister(VectorDistribution)
1388 class RadialDistributionFunction(FloatDistribution):
1389 """Proxy of C++ IMP::saxs::RadialDistributionFunction class"""
1390 __swig_setmethods__ = {}
1391 for _s
in [FloatDistribution]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1392 __setattr__ =
lambda self, name, value: _swig_setattr(self, RadialDistributionFunction, name, value)
1393 __swig_getmethods__ = {}
1394 for _s
in [FloatDistribution]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1395 __getattr__ =
lambda self, name: _swig_getattr(self, RadialDistributionFunction, name)
1396 __repr__ = _swig_repr
1397 def __init__(self, *args):
1399 __init__(IMP::saxs::RadialDistributionFunction self, IMP::Float bin_size=pr_resolution) -> RadialDistributionFunction
1400 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1401 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1403 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1404 try: self.this.append(this)
1405 except: self.this = this
1406 def scale(self, *args):
1407 """scale(RadialDistributionFunction self, IMP::Float c)"""
1408 return _IMP_saxs.RadialDistributionFunction_scale(self, *args)
1410 def add(self, *args):
1411 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1412 return _IMP_saxs.RadialDistributionFunction_add(self, *args)
1414 def show(self, *args):
1416 show(RadialDistributionFunction self, _ostream out=std::cout)
1417 show(RadialDistributionFunction self)
1419 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1421 def R_factor_score(self, *args):
1423 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> IMP::Float
1424 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> IMP::Float
1426 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1428 def fit(self, *args):
1430 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> IMP::Float
1431 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> IMP::Float
1433 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1435 def normalize(self):
1436 """normalize(RadialDistributionFunction self)"""
1437 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1439 def add_to_distribution(self, *args):
1440 """add_to_distribution(RadialDistributionFunction self, IMP::Float dist, IMP::Float value)"""
1441 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, *args)
1443 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1444 __del__ =
lambda self :
None;
1445 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1446 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1448 class DeltaDistributionFunction(VectorDistribution):
1449 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class"""
1450 __swig_setmethods__ = {}
1451 for _s
in [VectorDistribution]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1452 __setattr__ =
lambda self, name, value: _swig_setattr(self, DeltaDistributionFunction, name, value)
1453 __swig_getmethods__ = {}
1454 for _s
in [VectorDistribution]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1455 __getattr__ =
lambda self, name: _swig_getattr(self, DeltaDistributionFunction, name)
1456 __repr__ = _swig_repr
1457 def __init__(self, *args):
1459 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles, IMP::Float max_distance=0.0, IMP::Float bin_size=pr_resolution) -> DeltaDistributionFunction
1460 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles, IMP::Float max_distance=0.0) -> DeltaDistributionFunction
1461 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles) -> DeltaDistributionFunction
1463 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1464 try: self.this.append(this)
1465 except: self.this = this
1466 def calculate_derivative_distribution(self, *args):
1467 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1468 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, *args)
1470 def show(self, *args):
1472 show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")
1473 show(DeltaDistributionFunction self, _ostream out=std::cout)
1474 show(DeltaDistributionFunction self)
1476 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1478 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1479 __del__ =
lambda self :
None;
1480 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1481 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1483 class SolventAccessibleSurface(_object):
1484 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class"""
1485 __swig_setmethods__ = {}
1486 __setattr__ =
lambda self, name, value: _swig_setattr(self, SolventAccessibleSurface, name, value)
1487 __swig_getmethods__ = {}
1488 __getattr__ =
lambda self, name: _swig_getattr(self, SolventAccessibleSurface, name)
1489 __repr__ = _swig_repr
1490 def get_solvent_accessibility(self, *args):
1492 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, float probe_radius=1.8, float density=5.0) -> IMP::Floats
1493 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, float probe_radius=1.8) -> IMP::Floats
1494 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Floats
1496 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, *args)
1499 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1500 this = _IMP_saxs.new_SolventAccessibleSurface()
1501 try: self.this.append(this)
1502 except: self.this = this
1503 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1504 __del__ =
lambda self :
None;
1505 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1506 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1509 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class"""
1510 __swig_setmethods__ = {}
1511 for _s
in [
IMP.base.Object]: __swig_setmethods__.update(getattr(_s,
'__swig_setmethods__',{}))
1512 __setattr__ =
lambda self, name, value: _swig_setattr(self, ProfileFitterChiLog, name, value)
1513 __swig_getmethods__ = {}
1514 for _s
in [
IMP.base.Object]: __swig_getmethods__.update(getattr(_s,
'__swig_getmethods__',{}))
1515 __getattr__ =
lambda self, name: _swig_getattr(self, ProfileFitterChiLog, name)
1516 __repr__ = _swig_repr
1517 def __init__(self, *args):
1519 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1520 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1522 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1523 try: self.this.append(this)
1524 except: self.this = this
1525 def compute_score(self, *args):
1527 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> IMP::Float
1528 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> IMP::Float
1529 compute_score(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float
1530 compute_score(ProfileFitterChiLog self, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1532 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1534 def fit_profile(self, *args):
1536 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1537 float max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters
1538 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1539 float max_c2=4.0, bool use_offset=False) -> FitParameters
1540 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1541 float max_c2=4.0) -> FitParameters
1542 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0) -> FitParameters
1543 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05) -> FitParameters
1544 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95) -> FitParameters
1545 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1547 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1549 def compute_scale_factor(self, *args):
1551 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1552 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float
1554 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, *args)
1556 def compute_offset(self, *args):
1557 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float"""
1558 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, *args)
1560 def resample(self, *args):
1561 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1562 return _IMP_saxs.ProfileFitterChiLog_resample(self, *args)
1564 def write_SAXS_fit_file(self, *args):
1566 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1567 IMP::Float const c=1, IMP::Float const offset=0)
1568 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1569 IMP::Float const c=1)
1570 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square)
1572 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, *args)
1574 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1575 __del__ =
lambda self :
None;
1576 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1577 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1580 def get_module_version():
1581 """get_module_version() -> std::string const"""
1582 return _IMP_saxs.get_module_version()
1585 """get_example_path(std::string fname) -> std::string"""
1586 return _IMP_saxs.get_example_path(*args)
1589 """get_data_path(std::string fname) -> std::string"""
1590 return _IMP_saxs.get_data_path(*args)
1591 import _version_check
1592 _version_check.check_version(get_module_version())
std::string get_data_path(std::string file_name)
Return the full path to installed data.
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Low level functionality (logging, error handling, profiling, command line flags etc) that is used by ...
FormFactorTable * get_default_form_factor_table()
Composable functors to implement scores via compile-time composition.
double get_volume(const BoundingBoxD< D > &bb)
Base functionality and abstract base classes for representation, scoring and sampling.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
A restraint is a term in an IMP ScoringFunction.
Common base class for heavy weight IMP objects.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
void show(Hierarchy h, std::ostream &out=std::cout)
Print out a molecular hierarchy.
Float radius_of_gyration(const kernel::Particles &particles)
compute radius_of_gyration
Output IMP model data in various file formats.
CheckLevel get_check_level()
Get the current audit mode.
Functionality for loading, creating, manipulating and scoring atomic structures.
IMP::kernel::Restraint Restraint