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:
72 def _swig_setattr_nondynamic_method(set):
73 def set_attr(self,name,value):
74 if (name ==
"thisown"):
return self.this.own(value)
75 if hasattr(self,name)
or (name ==
"this"):
78 raise AttributeError(
"You cannot add attributes to %s" % self)
84 weakref_proxy = weakref.proxy
86 weakref_proxy =
lambda x: x
89 class IMP_SAXS_SwigPyIterator(object):
90 """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class"""
91 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
92 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined - class is abstract")
94 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
95 __del__ =
lambda self :
None;
97 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
98 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
102 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
103 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
105 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
109 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
110 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
112 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
114 def distance(self, *args):
115 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
116 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, *args)
118 def equal(self, *args):
119 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
120 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, *args)
123 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
124 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
127 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
128 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
131 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
132 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
135 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
136 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
138 def advance(self, *args):
139 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
140 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, *args)
142 def __eq__(self, *args):
143 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
144 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, *args)
146 def __ne__(self, *args):
147 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
148 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, *args)
150 def __iadd__(self, *args):
151 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
152 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, *args)
154 def __isub__(self, *args):
155 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
156 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, *args)
158 def __add__(self, *args):
159 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
160 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, *args)
162 def __sub__(self, *args):
164 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
165 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
167 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
169 def __iter__(self):
return self
170 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
171 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
178 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
179 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
180 IMP_SILENT = _IMP_saxs.IMP_SILENT
181 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
182 IMP_TERSE = _IMP_saxs.IMP_TERSE
183 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
184 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
185 IMP_NONE = _IMP_saxs.IMP_NONE
186 IMP_USAGE = _IMP_saxs.IMP_USAGE
187 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
188 IMP_BASE_HAS_LOG4CXX = _IMP_saxs.IMP_BASE_HAS_LOG4CXX
189 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
190 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
191 IMP_BASE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_BASE_HAS_BOOST_RANDOM
192 IMP_BASE_HAS_GPERFTOOLS = _IMP_saxs.IMP_BASE_HAS_GPERFTOOLS
193 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
194 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
195 IMPBASE_SHOW_WARNINGS = _IMP_saxs.IMPBASE_SHOW_WARNINGS
197 class _DirectorObjects(object):
198 """@internal Simple class to keep references to director objects
199 to prevent premature deletion."""
202 def register(self, obj):
203 """Take a reference to a director object; will only work for
204 refcounted C++ classes"""
205 if hasattr(obj,
'get_ref_count'):
206 self._objects.append(obj)
208 """Only drop our reference and allow cleanup by Python if no other
209 Python references exist (we hold 3 references: one in self._objects,
210 one in x, and one in the argument list for getrefcount) *and* no
211 other C++ references exist (the Python object always holds one)"""
212 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
213 or x.get_ref_count() > 1]
217 def get_object_count(self):
218 """Get number of director objects (useful for testing only)"""
219 return len(self._objects)
220 _director_objects = _DirectorObjects()
222 class _ostream(object):
223 """Proxy of C++ std::ostream class"""
224 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
225 def __init__(self, *args, **kwargs):
raise AttributeError(
"No constructor defined")
226 __repr__ = _swig_repr
227 def write(self, *args):
228 """write(_ostream self, char const * osa_buf)"""
229 return _IMP_saxs._ostream_write(self, *args)
231 _ostream_swigregister = _IMP_saxs._ostream_swigregister
232 _ostream_swigregister(_ostream)
234 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
235 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
236 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
238 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
239 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
240 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
241 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
242 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
244 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
245 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
247 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
248 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
249 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
250 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
251 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
253 IMP_KERNEL_HAS_IMP_CGAL = _IMP_saxs.IMP_KERNEL_HAS_IMP_CGAL
254 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
255 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
256 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_SYSTEM
257 IMP_KERNEL_HAS_CGAL = _IMP_saxs.IMP_KERNEL_HAS_CGAL
258 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
260 IMP_DISPLAY_HAS_IMP_BASE = _IMP_saxs.IMP_DISPLAY_HAS_IMP_BASE
261 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
262 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
264 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
265 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
266 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
267 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
269 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
270 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
271 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
272 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
273 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
274 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
275 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
276 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
278 IMP_CORE_HAS_IMP_BASE = _IMP_saxs.IMP_CORE_HAS_IMP_BASE
279 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
280 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
281 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
282 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
283 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
284 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
285 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
286 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
287 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
289 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
290 IMP_CONTAINER_HAS_IMP_BASE = _IMP_saxs.IMP_CONTAINER_HAS_IMP_BASE
291 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
292 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
293 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
294 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
295 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
296 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
297 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
298 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
299 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
300 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
301 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
303 IMP_ATOM_HAS_IMP_BASE = _IMP_saxs.IMP_ATOM_HAS_IMP_BASE
304 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
305 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
306 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
307 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
308 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
309 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
310 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
311 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
312 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
313 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
314 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
315 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
316 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
318 IMP_SAXS_HAS_IMP_BASE = _IMP_saxs.IMP_SAXS_HAS_IMP_BASE
319 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
320 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
321 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
322 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
323 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
324 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
325 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
326 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
327 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
328 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
329 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
330 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
331 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
332 class DistBase(object):
333 """Proxy of C++ std::vector<(double)> class"""
334 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
335 __repr__ = _swig_repr
337 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
338 return _IMP_saxs.DistBase_iterator(self)
340 def __iter__(self):
return self.iterator()
341 def __nonzero__(self):
342 """__nonzero__(DistBase self) -> bool"""
343 return _IMP_saxs.DistBase___nonzero__(self)
346 """__bool__(DistBase self) -> bool"""
347 return _IMP_saxs.DistBase___bool__(self)
350 """__len__(DistBase self) -> std::vector< double >::size_type"""
351 return _IMP_saxs.DistBase___len__(self)
354 """pop(DistBase self) -> std::vector< double >::value_type"""
355 return _IMP_saxs.DistBase_pop(self)
357 def __getslice__(self, *args):
358 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
359 return _IMP_saxs.DistBase___getslice__(self, *args)
361 def __setslice__(self, *args):
363 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j,
364 DistBase v=std::vector< double,std::allocator< double > >())
365 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
367 return _IMP_saxs.DistBase___setslice__(self, *args)
369 def __delslice__(self, *args):
370 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
371 return _IMP_saxs.DistBase___delslice__(self, *args)
373 def __delitem__(self, *args):
375 __delitem__(DistBase self, std::vector< double >::difference_type i)
376 __delitem__(DistBase self, PySliceObject * slice)
378 return _IMP_saxs.DistBase___delitem__(self, *args)
380 def __getitem__(self, *args):
382 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
383 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
385 return _IMP_saxs.DistBase___getitem__(self, *args)
387 def __setitem__(self, *args):
389 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
390 __setitem__(DistBase self, PySliceObject * slice)
391 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
393 return _IMP_saxs.DistBase___setitem__(self, *args)
395 def append(self, *args):
396 """append(DistBase self, std::vector< double >::value_type const & x)"""
397 return _IMP_saxs.DistBase_append(self, *args)
400 """empty(DistBase self) -> bool"""
401 return _IMP_saxs.DistBase_empty(self)
404 """size(DistBase self) -> std::vector< double >::size_type"""
405 return _IMP_saxs.DistBase_size(self)
408 """clear(DistBase self)"""
409 return _IMP_saxs.DistBase_clear(self)
411 def swap(self, *args):
412 """swap(DistBase self, DistBase v)"""
413 return _IMP_saxs.DistBase_swap(self, *args)
415 def get_allocator(self):
416 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
417 return _IMP_saxs.DistBase_get_allocator(self)
420 """begin(DistBase self) -> std::vector< double >::iterator"""
421 return _IMP_saxs.DistBase_begin(self)
424 """end(DistBase self) -> std::vector< double >::iterator"""
425 return _IMP_saxs.DistBase_end(self)
428 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
429 return _IMP_saxs.DistBase_rbegin(self)
432 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
433 return _IMP_saxs.DistBase_rend(self)
436 """pop_back(DistBase self)"""
437 return _IMP_saxs.DistBase_pop_back(self)
439 def erase(self, *args):
441 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
442 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
444 return _IMP_saxs.DistBase_erase(self, *args)
446 def __init__(self, *args):
448 __init__(std::vector<(double)> self) -> DistBase
449 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
450 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
451 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
453 this = _IMP_saxs.new_DistBase(*args)
454 try: self.this.append(this)
455 except: self.this = this
456 def push_back(self, *args):
457 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
458 return _IMP_saxs.DistBase_push_back(self, *args)
461 """front(DistBase self) -> std::vector< double >::value_type const &"""
462 return _IMP_saxs.DistBase_front(self)
465 """back(DistBase self) -> std::vector< double >::value_type const &"""
466 return _IMP_saxs.DistBase_back(self)
468 def assign(self, *args):
469 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
470 return _IMP_saxs.DistBase_assign(self, *args)
472 def resize(self, *args):
474 resize(DistBase self, std::vector< double >::size_type new_size)
475 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
477 return _IMP_saxs.DistBase_resize(self, *args)
479 def insert(self, *args):
481 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
482 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
484 return _IMP_saxs.DistBase_insert(self, *args)
486 def reserve(self, *args):
487 """reserve(DistBase self, std::vector< double >::size_type n)"""
488 return _IMP_saxs.DistBase_reserve(self, *args)
491 """capacity(DistBase self) -> std::vector< double >::size_type"""
492 return _IMP_saxs.DistBase_capacity(self)
494 __swig_destroy__ = _IMP_saxs.delete_DistBase
495 __del__ =
lambda self :
None;
496 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
497 DistBase_swigregister(DistBase)
499 _object_types.append(
"Profile")
502 def _object_cast_to_Profile(*args):
503 """_object_cast_to_Profile(Object o) -> Profile"""
504 return _IMP_saxs._object_cast_to_Profile(*args)
505 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
506 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
507 CA_ATOMS = _IMP_saxs.CA_ATOMS
508 class FormFactorTable(object):
509 """Proxy of C++ IMP::saxs::FormFactorTable class"""
510 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
511 __repr__ = _swig_repr
512 def __init__(self, *args):
514 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
515 __init__(IMP::saxs::FormFactorTable self, IMP::String const & table_name, IMP::Float min_q, IMP::Float max_q, IMP::Float delta_q) -> FormFactorTable
517 this = _IMP_saxs.new_FormFactorTable(*args)
518 try: self.this.append(this)
519 except: self.this = this
520 def get_form_factor(self, *args):
522 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
523 get_form_factor(FormFactorTable self, Particle p) -> IMP::Float
525 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
527 def get_vacuum_form_factor(self, *args):
529 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
530 get_vacuum_form_factor(FormFactorTable self, Particle p) -> IMP::Float
532 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
534 def get_dummy_form_factor(self, *args):
536 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
537 get_dummy_form_factor(FormFactorTable self, Particle p) -> IMP::Float
539 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
541 def get_water_form_factor(self):
542 """get_water_form_factor(FormFactorTable self) -> IMP::Float"""
543 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
545 def get_vacuum_water_form_factor(self):
546 """get_vacuum_water_form_factor(FormFactorTable self) -> IMP::Float"""
547 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
549 def get_dummy_water_form_factor(self):
550 """get_dummy_water_form_factor(FormFactorTable self) -> IMP::Float"""
551 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
553 def get_form_factors(self, *args):
555 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
556 get_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
558 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
560 def get_vacuum_form_factors(self, *args):
562 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
563 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
565 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
567 def get_dummy_form_factors(self, *args):
569 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Floats const
570 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Floats const &
572 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
574 def get_water_form_factors(self):
575 """get_water_form_factors(FormFactorTable self) -> IMP::Floats const &"""
576 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
578 def get_water_vacuum_form_factors(self):
579 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Floats const &"""
580 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
582 def get_water_dummy_form_factors(self):
583 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Floats const &"""
584 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
586 def get_radius(self, *args):
588 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
589 get_radius(FormFactorTable self, Particle p) -> IMP::Float
591 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
595 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
596 get_volume(FormFactorTable self, Particle p) -> IMP::Float
598 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
600 def show(self, *args):
602 show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")
603 show(FormFactorTable self, _ostream out=std::cout)
604 show(FormFactorTable self)
606 return _IMP_saxs.FormFactorTable_show(self, *args)
608 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
609 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
610 __del__ =
lambda self :
None;
611 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
612 FormFactorTable_swigregister(FormFactorTable)
613 cvar = _IMP_saxs.cvar
617 """get_default_form_factor_table() -> FormFactorTable"""
618 return _IMP_saxs.get_default_form_factor_table()
620 """Proxy of C++ IMP::saxs::Profile class"""
621 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
622 def __init__(self, *args):
624 __init__(IMP::saxs::Profile self, IMP::String const & file_name, bool fit_file=False) -> Profile
625 __init__(IMP::saxs::Profile self, IMP::String const & file_name) -> Profile
626 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0, IMP::Float qmax=0.5, IMP::Float delta=0.005) -> Profile
627 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0, IMP::Float qmax=0.5) -> Profile
628 __init__(IMP::saxs::Profile self, IMP::Float qmin=0.0) -> Profile
629 __init__(IMP::saxs::Profile self) -> Profile
631 this = _IMP_saxs.new_Profile(*args)
632 try: self.this.append(this)
633 except: self.this = this
634 def calculate_profile_partial(self, *args):
636 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats(),
637 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
638 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats())
639 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles)
640 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
641 IMP::Floats const & surface1=IMP::Floats(), IMP::Floats const & surface2=IMP::Floats(),
642 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
643 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
644 IMP::Floats const & surface1=IMP::Floats(), IMP::Floats const & surface2=IMP::Floats())
645 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
646 IMP::Floats const & surface1=IMP::Floats())
647 calculate_profile_partial(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2)
649 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
651 def calculate_profile_reciprocal_partial(self, *args):
653 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats(),
654 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
655 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles, IMP::Floats const & surface=IMP::Floats())
656 calculate_profile_reciprocal_partial(Profile self, IMP::kernel::Particles const & particles)
658 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
660 def calculate_profile(self, *args):
662 calculate_profile(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS,
663 bool reciprocal=False)
664 calculate_profile(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
665 calculate_profile(Profile self, IMP::kernel::Particles const & particles)
666 calculate_profile(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
667 IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
668 calculate_profile(Profile self, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2)
670 return _IMP_saxs.Profile_calculate_profile(self, *args)
672 def calculate_I0(self, *args):
674 calculate_I0(Profile self, IMP::kernel::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Float
675 calculate_I0(Profile self, IMP::kernel::Particles const & particles) -> IMP::Float
677 return _IMP_saxs.Profile_calculate_I0(self, *args)
679 def calculate_profile_constant_form_factor(self, *args):
681 calculate_profile_constant_form_factor(Profile self, IMP::kernel::Particles const & particles, IMP::Float form_factor=1.0)
682 calculate_profile_constant_form_factor(Profile self, IMP::kernel::Particles const & particles)
684 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, *args)
686 def calculate_profile_symmetric(self, *args):
688 calculate_profile_symmetric(Profile self, IMP::kernel::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
689 calculate_profile_symmetric(Profile self, IMP::kernel::Particles const & particles, unsigned int n)
691 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
693 def profile_2_distribution(self, *args):
694 """profile_2_distribution(Profile self, RadialDistributionFunction rd, IMP::Float max_distance)"""
695 return _IMP_saxs.Profile_profile_2_distribution(self, *args)
697 def distribution_2_profile(self, *args):
698 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
699 return _IMP_saxs.Profile_distribution_2_profile(self, *args)
701 def resample(self, *args):
703 resample(Profile self, Profile exp_profile, Profile resampled_profile, bool partial_profiles=False)
704 resample(Profile self, Profile exp_profile, Profile resampled_profile)
706 return _IMP_saxs.Profile_resample(self, *args)
708 def downsample(self, *args):
709 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
710 return _IMP_saxs.Profile_downsample(self, *args)
714 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
715 radius_of_gyration(Profile self) -> double
717 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
719 def read_SAXS_file(self, *args):
721 read_SAXS_file(Profile self, IMP::String const & file_name, bool fit_file=False)
722 read_SAXS_file(Profile self, IMP::String const & file_name)
724 return _IMP_saxs.Profile_read_SAXS_file(self, *args)
726 def write_SAXS_file(self, *args):
728 write_SAXS_file(Profile self, IMP::String const & file_name, IMP::Float max_q=0.0)
729 write_SAXS_file(Profile self, IMP::String const & file_name)
731 return _IMP_saxs.Profile_write_SAXS_file(self, *args)
733 def read_partial_profiles(self, *args):
734 """read_partial_profiles(Profile self, IMP::String const & file_name)"""
735 return _IMP_saxs.Profile_read_partial_profiles(self, *args)
737 def write_partial_profiles(self, *args):
738 """write_partial_profiles(Profile self, IMP::String const & file_name)"""
739 return _IMP_saxs.Profile_write_partial_profiles(self, *args)
741 def get_delta_q(self):
742 """get_delta_q(Profile self) -> IMP::Float"""
743 return _IMP_saxs.Profile_get_delta_q(self)
746 """get_min_q(Profile self) -> IMP::Float"""
747 return _IMP_saxs.Profile_get_min_q(self)
750 """get_max_q(Profile self) -> IMP::Float"""
751 return _IMP_saxs.Profile_get_max_q(self)
753 def get_intensity(self, *args):
754 """get_intensity(Profile self, unsigned int i) -> IMP::Float"""
755 return _IMP_saxs.Profile_get_intensity(self, *args)
757 def get_q(self, *args):
758 """get_q(Profile self, unsigned int i) -> IMP::Float"""
759 return _IMP_saxs.Profile_get_q(self, *args)
761 def get_error(self, *args):
762 """get_error(Profile self, unsigned int i) -> IMP::Float"""
763 return _IMP_saxs.Profile_get_error(self, *args)
765 def get_weight(self, *args):
766 """get_weight(Profile self, unsigned int i) -> IMP::Float"""
767 return _IMP_saxs.Profile_get_weight(self, *args)
769 def get_average_radius(self):
770 """get_average_radius(Profile self) -> IMP::Float"""
771 return _IMP_saxs.Profile_get_average_radius(self)
774 """size(Profile self) -> unsigned int"""
775 return _IMP_saxs.Profile_size(self)
777 def is_uniform_sampling(self):
778 """is_uniform_sampling(Profile self) -> bool"""
779 return _IMP_saxs.Profile_is_uniform_sampling(self)
782 """get_name(Profile self) -> std::string"""
783 return _IMP_saxs.Profile_get_name(self)
786 """get_id(Profile self) -> unsigned int"""
787 return _IMP_saxs.Profile_get_id(self)
789 def set_intensity(self, *args):
790 """set_intensity(Profile self, unsigned int i, IMP::Float iq)"""
791 return _IMP_saxs.Profile_set_intensity(self, *args)
793 def set_ff_table(self, *args):
794 """set_ff_table(Profile self, FormFactorTable ff_table)"""
795 return _IMP_saxs.Profile_set_ff_table(self, *args)
797 def set_average_radius(self, *args):
798 """set_average_radius(Profile self, IMP::Float r)"""
799 return _IMP_saxs.Profile_set_average_radius(self, *args)
801 def set_average_volume(self, *args):
802 """set_average_volume(Profile self, IMP::Float v)"""
803 return _IMP_saxs.Profile_set_average_volume(self, *args)
805 def set_name(self, *args):
806 """set_name(Profile self, std::string name)"""
807 return _IMP_saxs.Profile_set_name(self, *args)
809 def set_id(self, *args):
810 """set_id(Profile self, unsigned int id)"""
811 return _IMP_saxs.Profile_set_id(self, *args)
813 def set_beam_profile(self, *args):
814 """set_beam_profile(Profile self, std::string beam_profile_file)"""
815 return _IMP_saxs.Profile_set_beam_profile(self, *args)
817 def add_entry(self, *args):
819 add_entry(Profile self, IMP::Float q, IMP::Float intensity, IMP::Float error=1.0)
820 add_entry(Profile self, IMP::Float q, IMP::Float intensity)
822 return _IMP_saxs.Profile_add_entry(self, *args)
824 def add_errors(self):
825 """add_errors(Profile self)"""
826 return _IMP_saxs.Profile_add_errors(self)
828 def add_noise(self, percentage=0.03):
830 add_noise(Profile self, IMP::Float percentage=0.03)
831 add_noise(Profile self)
833 return _IMP_saxs.Profile_add_noise(self, percentage)
835 def sum_partial_profiles(self, *args):
837 sum_partial_profiles(Profile self, IMP::Float c1, IMP::Float c2, bool check_cashed=True)
838 sum_partial_profiles(Profile self, IMP::Float c1, IMP::Float c2)
840 return _IMP_saxs.Profile_sum_partial_profiles(self, *args)
842 def add(self, *args):
844 add(Profile self, Profile other_profile, IMP::Float weight=1.0)
845 add(Profile self, Profile other_profile)
846 add(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles,
847 DistBase weights=std::vector< IMP::Float >())
848 add(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles)
850 return _IMP_saxs.Profile_add(self, *args)
852 def add_partial_profiles(self, *args):
854 add_partial_profiles(Profile self, Profile other_profile, IMP::Float weight=1.0)
855 add_partial_profiles(Profile self, Profile other_profile)
856 add_partial_profiles(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles,
857 DistBase weights=std::vector< IMP::Float >())
858 add_partial_profiles(Profile self, std::vector< IMP::saxs::Profile *,std::allocator< IMP::saxs::Profile * > > const & profiles)
860 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
862 def background_adjust(self, *args):
863 """background_adjust(Profile self, double start_q)"""
864 return _IMP_saxs.Profile_background_adjust(self, *args)
866 def scale(self, *args):
867 """scale(Profile self, IMP::Float c)"""
868 return _IMP_saxs.Profile_scale(self, *args)
870 def offset(self, *args):
871 """offset(Profile self, IMP::Float c)"""
872 return _IMP_saxs.Profile_offset(self, *args)
874 def copy_errors(self, *args):
875 """copy_errors(Profile self, Profile exp_profile)"""
876 return _IMP_saxs.Profile_copy_errors(self, *args)
878 def get_version_info(self):
879 """get_version_info(Profile self) -> VersionInfo"""
880 return _IMP_saxs.Profile_get_version_info(self)
883 """__str__(Profile self) -> std::string"""
884 return _IMP_saxs.Profile___str__(self)
887 """__repr__(Profile self) -> std::string"""
888 return _IMP_saxs.Profile___repr__(self)
891 return _object_cast_to_Profile(o)
892 get_from = staticmethod(get_from)
894 Profile_swigregister = _IMP_saxs.Profile_swigregister
895 Profile_swigregister(Profile)
896 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
898 class FitParameters(object):
899 """Proxy of C++ IMP::saxs::FitParameters class"""
900 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
901 __repr__ = _swig_repr
902 def __init__(self, *args):
904 __init__(IMP::saxs::FitParameters self) -> FitParameters
905 __init__(IMP::saxs::FitParameters self, float chi, float c1, float c2, float c, float o) -> FitParameters
906 __init__(IMP::saxs::FitParameters self, float chi, float c1, float c2) -> FitParameters
908 this = _IMP_saxs.new_FitParameters(*args)
909 try: self.this.append(this)
910 except: self.this = this
912 """get_score(FitParameters self) -> float"""
913 return _IMP_saxs.FitParameters_get_score(self)
916 """get_chi(FitParameters self) -> float"""
917 return _IMP_saxs.FitParameters_get_chi(self)
920 """get_c1(FitParameters self) -> float"""
921 return _IMP_saxs.FitParameters_get_c1(self)
924 """get_c2(FitParameters self) -> float"""
925 return _IMP_saxs.FitParameters_get_c2(self)
928 """get_scale(FitParameters self) -> float"""
929 return _IMP_saxs.FitParameters_get_scale(self)
931 def get_offset(self):
932 """get_offset(FitParameters self) -> float"""
933 return _IMP_saxs.FitParameters_get_offset(self)
935 def get_default_chi(self):
936 """get_default_chi(FitParameters self) -> float"""
937 return _IMP_saxs.FitParameters_get_default_chi(self)
939 def get_pdb_file_name(self):
940 """get_pdb_file_name(FitParameters self) -> std::string"""
941 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
943 def get_profile_file_name(self):
944 """get_profile_file_name(FitParameters self) -> std::string"""
945 return _IMP_saxs.FitParameters_get_profile_file_name(self)
947 def get_mol_index(self):
948 """get_mol_index(FitParameters self) -> int"""
949 return _IMP_saxs.FitParameters_get_mol_index(self)
951 def set_chi(self, *args):
952 """set_chi(FitParameters self, float chi)"""
953 return _IMP_saxs.FitParameters_set_chi(self, *args)
955 def set_default_chi(self, *args):
956 """set_default_chi(FitParameters self, float chi)"""
957 return _IMP_saxs.FitParameters_set_default_chi(self, *args)
959 def set_profile_file_name(self, *args):
960 """set_profile_file_name(FitParameters self, std::string file_name)"""
961 return _IMP_saxs.FitParameters_set_profile_file_name(self, *args)
963 def set_pdb_file_name(self, *args):
964 """set_pdb_file_name(FitParameters self, std::string file_name)"""
965 return _IMP_saxs.FitParameters_set_pdb_file_name(self, *args)
967 def set_mol_index(self, *args):
968 """set_mol_index(FitParameters self, int index)"""
969 return _IMP_saxs.FitParameters_set_mol_index(self, *args)
971 def show(self, *args):
972 """show(FitParameters self, _ostream s)"""
973 return _IMP_saxs.FitParameters_show(self, *args)
975 __swig_destroy__ = _IMP_saxs.delete_FitParameters
976 __del__ =
lambda self :
None;
977 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
978 FitParameters_swigregister(FitParameters)
980 class WeightedFitParameters(FitParameters):
981 """Proxy of C++ IMP::saxs::WeightedFitParameters class"""
982 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
983 __repr__ = _swig_repr
984 def __init__(self, *args):
985 """__init__(IMP::saxs::WeightedFitParameters self, float chi, float c1, float c2, IMP::Floats weights) -> WeightedFitParameters"""
986 this = _IMP_saxs.new_WeightedFitParameters(*args)
987 try: self.this.append(this)
988 except: self.this = this
989 def get_weights(self):
990 """get_weights(WeightedFitParameters self) -> IMP::Floats const &"""
991 return _IMP_saxs.WeightedFitParameters_get_weights(self)
993 def set_weights(self, *args):
994 """set_weights(WeightedFitParameters self, IMP::Floats const & weights)"""
995 return _IMP_saxs.WeightedFitParameters_set_weights(self, *args)
997 def show(self, *args):
998 """show(WeightedFitParameters self, _ostream s)"""
999 return _IMP_saxs.WeightedFitParameters_show(self, *args)
1001 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1002 __del__ =
lambda self :
None;
1003 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1004 WeightedFitParameters_swigregister(WeightedFitParameters)
1006 class ChiScore(object):
1007 """Proxy of C++ IMP::saxs::ChiScore class"""
1008 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1009 __repr__ = _swig_repr
1010 def compute_score(self, *args):
1012 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> IMP::Float
1013 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float
1014 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1016 return _IMP_saxs.ChiScore_compute_score(self, *args)
1018 def compute_scale_factor(self, *args):
1020 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1021 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float
1023 return _IMP_saxs.ChiScore_compute_scale_factor(self, *args)
1025 def compute_offset(self, *args):
1026 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> IMP::Float"""
1027 return _IMP_saxs.ChiScore_compute_offset(self, *args)
1030 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1031 this = _IMP_saxs.new_ChiScore()
1032 try: self.this.append(this)
1033 except: self.this = this
1034 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1035 __del__ =
lambda self :
None;
1036 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1037 ChiScore_swigregister(ChiScore)
1039 class ChiScoreLog(object):
1040 """Proxy of C++ IMP::saxs::ChiScoreLog class"""
1041 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1042 __repr__ = _swig_repr
1043 def compute_score(self, *args):
1045 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> IMP::Float
1046 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float
1047 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1049 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1051 def compute_scale_factor(self, *args):
1053 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1054 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float
1056 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, *args)
1058 def compute_offset(self, *args):
1059 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> IMP::Float"""
1060 return _IMP_saxs.ChiScoreLog_compute_offset(self, *args)
1063 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1064 this = _IMP_saxs.new_ChiScoreLog()
1065 try: self.this.append(this)
1066 except: self.this = this
1067 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1068 __del__ =
lambda self :
None;
1069 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1070 ChiScoreLog_swigregister(ChiScoreLog)
1073 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class"""
1074 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1075 __repr__ = _swig_repr
1076 def __init__(self, *args):
1078 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1079 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1081 this = _IMP_saxs.new_ProfileFitterChi(*args)
1082 try: self.this.append(this)
1083 except: self.this = this
1084 def compute_score(self, *args):
1086 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> IMP::Float
1087 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> IMP::Float
1088 compute_score(ProfileFitterChi self, Profile model_profile) -> IMP::Float
1089 compute_score(ProfileFitterChi self, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1091 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1093 def fit_profile(self, *args):
1095 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1096 float max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters
1097 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1098 float max_c2=4.0, bool use_offset=False) -> FitParameters
1099 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1100 float max_c2=4.0) -> FitParameters
1101 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0) -> FitParameters
1102 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05) -> FitParameters
1103 fit_profile(ProfileFitterChi self, Profile partial_profile, float min_c1=0.95) -> FitParameters
1104 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1106 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1108 def compute_scale_factor(self, *args):
1110 compute_scale_factor(ProfileFitterChi self, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1111 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> IMP::Float
1113 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, *args)
1115 def compute_offset(self, *args):
1116 """compute_offset(ProfileFitterChi self, Profile model_profile) -> IMP::Float"""
1117 return _IMP_saxs.ProfileFitterChi_compute_offset(self, *args)
1119 def resample(self, *args):
1120 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1121 return _IMP_saxs.ProfileFitterChi_resample(self, *args)
1123 def write_SAXS_fit_file(self, *args):
1125 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1126 IMP::Float const c=1, IMP::Float const offset=0)
1127 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1128 IMP::Float const c=1)
1129 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square)
1131 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, *args)
1133 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1134 __del__ =
lambda self :
None;
1135 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1136 ProfileFitterChi_swigregister(ProfileFitterChi)
1138 class WeightedProfileFitter(ProfileFitterChi):
1139 """Proxy of C++ IMP::saxs::WeightedProfileFitter class"""
1140 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1141 __repr__ = _swig_repr
1142 def __init__(self, *args):
1143 """__init__(IMP::saxs::WeightedProfileFitter self, Profile exp_profile) -> WeightedProfileFitter"""
1144 this = _IMP_saxs.new_WeightedProfileFitter(*args)
1145 try: self.this.append(this)
1146 except: self.this = this
1147 def compute_score(self, *args):
1149 compute_score(WeightedProfileFitter self, IMP::saxs::ProfilesTemp const & profiles, DistBase weights, bool NNLS=True) -> IMP::Float
1150 compute_score(WeightedProfileFitter self, IMP::saxs::ProfilesTemp const & profiles, DistBase weights) -> IMP::Float
1152 return _IMP_saxs.WeightedProfileFitter_compute_score(self, *args)
1154 def fit_profile(self, *args):
1156 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1157 float max_c2=4.0) -> WeightedFitParameters
1158 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
1159 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95, float max_c1=1.05) -> WeightedFitParameters
1160 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, float min_c1=0.95) -> WeightedFitParameters
1161 fit_profile(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1163 return _IMP_saxs.WeightedProfileFitter_fit_profile(self, *args)
1165 def write_fit_file(self, *args):
1166 """write_fit_file(WeightedProfileFitter self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)"""
1167 return _IMP_saxs.WeightedProfileFitter_write_fit_file(self, *args)
1169 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitter
1170 __del__ =
lambda self :
None;
1171 WeightedProfileFitter_swigregister = _IMP_saxs.WeightedProfileFitter_swigregister
1172 WeightedProfileFitter_swigregister(WeightedProfileFitter)
1175 """Proxy of C++ IMP::saxs::DerivativeCalculator class"""
1176 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1177 __repr__ = _swig_repr
1178 def __init__(self, *args):
1179 """__init__(IMP::saxs::DerivativeCalculator self, Profile exp_profile) -> DerivativeCalculator"""
1180 this = _IMP_saxs.new_DerivativeCalculator(*args)
1181 try: self.this.append(this)
1182 except: self.this = this
1183 def compute_chisquare_derivative(self, *args):
1185 compute_chisquare_derivative(DerivativeCalculator self, Profile model_profile, IMP::kernel::Particles const & particles1, IMP::kernel::Particles const & particles2,
1186 std::vector< IMP::algebra::Vector3D,std::allocator< IMP::algebra::Vector3D > > & derivatives,
1187 DistBase effect_size)
1188 compute_chisquare_derivative(DerivativeCalculator self, Profile model_profile, IMP::kernel::Particles const & particles, std::vector< IMP::algebra::Vector3D,std::allocator< IMP::algebra::Vector3D > > & derivatives,
1189 DistBase effect_size)
1191 return _IMP_saxs.DerivativeCalculator_compute_chisquare_derivative(self, *args)
1193 def compute_gaussian_effect_size(self, *args):
1194 """compute_gaussian_effect_size(DerivativeCalculator self, Profile model_profile, IMP::Float const c, IMP::Float const offset, DistBase effect_size)"""
1195 return _IMP_saxs.DerivativeCalculator_compute_gaussian_effect_size(self, *args)
1197 __swig_destroy__ = _IMP_saxs.delete_DerivativeCalculator
1198 __del__ =
lambda self :
None;
1199 DerivativeCalculator_swigregister = _IMP_saxs.DerivativeCalculator_swigregister
1200 DerivativeCalculator_swigregister(DerivativeCalculator)
1203 """Proxy of C++ IMP::saxs::Restraint class"""
1204 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1205 __repr__ = _swig_repr
1206 def __init__(self, *args):
1208 __init__(IMP::saxs::Restraint self, IMP::kernel::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1209 __init__(IMP::saxs::Restraint self, IMP::kernel::Particles const & particles, Profile exp_profile) -> Restraint
1211 this = _IMP_saxs.new_Restraint(*args)
1212 try: self.this.append(this)
1213 except: self.this = this
1214 if self.__class__ != Restraint:
1216 IMP.base._director_objects.register(self)
1220 def do_get_inputs(self):
1221 """do_get_inputs(Restraint self) -> IMP::kernel::ModelObjectsTemp"""
1222 return _IMP_saxs.Restraint_do_get_inputs(self)
1224 def get_version_info(self):
1225 """get_version_info(Restraint self) -> VersionInfo"""
1226 return _IMP_saxs.Restraint_get_version_info(self)
1228 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1229 Restraint_swigregister(Restraint)
1232 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class"""
1233 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1234 __repr__ = _swig_repr
1235 def __init__(self, *args):
1237 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::kernel::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1238 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::kernel::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1240 this = _IMP_saxs.new_RadiusOfGyrationRestraint(*args)
1241 try: self.this.append(this)
1242 except: self.this = this
1243 def do_get_inputs(self):
1244 """do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1245 return _IMP_saxs.RadiusOfGyrationRestraint_do_get_inputs(self)
1247 def get_version_info(self):
1248 """get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1249 return _IMP_saxs.RadiusOfGyrationRestraint_get_version_info(self)
1251 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1252 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1254 class FloatDistribution(DistBase):
1255 """Proxy of C++ IMP::saxs::Distribution<(IMP::Float)> class"""
1256 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1257 __repr__ = _swig_repr
1258 def __init__(self, *args):
1260 __init__(IMP::saxs::Distribution<(IMP::Float)> self, IMP::Float bin_size=pr_resolution) -> FloatDistribution
1261 __init__(IMP::saxs::Distribution<(IMP::Float)> self) -> FloatDistribution
1263 this = _IMP_saxs.new_FloatDistribution(*args)
1264 try: self.this.append(this)
1265 except: self.this = this
1266 def get_max_distance(self):
1267 """get_max_distance(FloatDistribution self) -> IMP::Float"""
1268 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1270 def get_bin_size(self):
1271 """get_bin_size(FloatDistribution self) -> IMP::Float"""
1272 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1274 def get_index_from_distance(self, *args):
1275 """get_index_from_distance(FloatDistribution self, IMP::Float dist) -> unsigned int"""
1276 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, *args)
1278 def get_distance_from_index(self, *args):
1279 """get_distance_from_index(FloatDistribution self, unsigned int index) -> IMP::Float"""
1280 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, *args)
1282 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1283 __del__ =
lambda self :
None;
1284 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1285 FloatDistribution_swigregister(FloatDistribution)
1287 class VectorDistribution(object):
1288 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class"""
1289 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1290 __repr__ = _swig_repr
1291 def __init__(self, *args):
1293 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, IMP::Float bin_size=pr_resolution) -> VectorDistribution
1294 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1296 this = _IMP_saxs.new_VectorDistribution(*args)
1297 try: self.this.append(this)
1298 except: self.this = this
1299 def get_max_distance(self):
1300 """get_max_distance(VectorDistribution self) -> IMP::Float"""
1301 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1303 def get_bin_size(self):
1304 """get_bin_size(VectorDistribution self) -> IMP::Float"""
1305 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1307 def get_index_from_distance(self, *args):
1308 """get_index_from_distance(VectorDistribution self, IMP::Float dist) -> unsigned int"""
1309 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, *args)
1311 def get_distance_from_index(self, *args):
1312 """get_distance_from_index(VectorDistribution self, unsigned int index) -> IMP::Float"""
1313 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, *args)
1315 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1316 __del__ =
lambda self :
None;
1317 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1318 VectorDistribution_swigregister(VectorDistribution)
1320 class RadialDistributionFunction(FloatDistribution):
1321 """Proxy of C++ IMP::saxs::RadialDistributionFunction class"""
1322 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1323 __repr__ = _swig_repr
1324 def __init__(self, *args):
1326 __init__(IMP::saxs::RadialDistributionFunction self, IMP::Float bin_size=pr_resolution) -> RadialDistributionFunction
1327 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1328 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1330 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1331 try: self.this.append(this)
1332 except: self.this = this
1333 def scale(self, *args):
1334 """scale(RadialDistributionFunction self, IMP::Float c)"""
1335 return _IMP_saxs.RadialDistributionFunction_scale(self, *args)
1337 def add(self, *args):
1338 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1339 return _IMP_saxs.RadialDistributionFunction_add(self, *args)
1341 def show(self, *args):
1343 show(RadialDistributionFunction self, _ostream out=std::cout)
1344 show(RadialDistributionFunction self)
1346 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1348 def R_factor_score(self, *args):
1350 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> IMP::Float
1351 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> IMP::Float
1353 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1355 def fit(self, *args):
1357 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> IMP::Float
1358 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> IMP::Float
1360 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1362 def normalize(self):
1363 """normalize(RadialDistributionFunction self)"""
1364 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1366 def add_to_distribution(self, *args):
1367 """add_to_distribution(RadialDistributionFunction self, IMP::Float dist, IMP::Float value)"""
1368 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, *args)
1370 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1371 __del__ =
lambda self :
None;
1372 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1373 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1375 class DeltaDistributionFunction(VectorDistribution):
1376 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class"""
1377 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1378 __repr__ = _swig_repr
1379 def __init__(self, *args):
1381 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles, IMP::Float max_distance=0.0, IMP::Float bin_size=pr_resolution) -> DeltaDistributionFunction
1382 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles, IMP::Float max_distance=0.0) -> DeltaDistributionFunction
1383 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::kernel::Particles const & particles) -> DeltaDistributionFunction
1385 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1386 try: self.this.append(this)
1387 except: self.this = this
1388 def calculate_derivative_distribution(self, *args):
1389 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1390 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, *args)
1392 def show(self, *args):
1394 show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")
1395 show(DeltaDistributionFunction self, _ostream out=std::cout)
1396 show(DeltaDistributionFunction self)
1398 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1400 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1401 __del__ =
lambda self :
None;
1402 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1403 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1405 class SolventAccessibleSurface(object):
1406 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class"""
1407 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1408 __repr__ = _swig_repr
1409 def get_solvent_accessibility(self, *args):
1411 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, float probe_radius=1.8, float density=5.0) -> IMP::Floats
1412 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, float probe_radius=1.8) -> IMP::Floats
1413 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Floats
1415 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, *args)
1418 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1419 this = _IMP_saxs.new_SolventAccessibleSurface()
1420 try: self.this.append(this)
1421 except: self.this = this
1422 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1423 __del__ =
lambda self :
None;
1424 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1425 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1428 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class"""
1429 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1430 __repr__ = _swig_repr
1431 def __init__(self, *args):
1433 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1434 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1436 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1437 try: self.this.append(this)
1438 except: self.this = this
1439 def compute_score(self, *args):
1441 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> IMP::Float
1442 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> IMP::Float
1443 compute_score(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float
1444 compute_score(ProfileFitterChiLog self, Profile model_profile, IMP::Float min_q, IMP::Float max_q) -> IMP::Float
1446 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1448 def fit_profile(self, *args):
1450 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1451 float max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters
1452 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1453 float max_c2=4.0, bool use_offset=False) -> FitParameters
1454 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0,
1455 float max_c2=4.0) -> FitParameters
1456 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0) -> FitParameters
1457 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95, float max_c1=1.05) -> FitParameters
1458 fit_profile(ProfileFitterChiLog self, Profile partial_profile, float min_c1=0.95) -> FitParameters
1459 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1461 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1463 def compute_scale_factor(self, *args):
1465 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, IMP::Float offset=0.0) -> IMP::Float
1466 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float
1468 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, *args)
1470 def compute_offset(self, *args):
1471 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> IMP::Float"""
1472 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, *args)
1474 def resample(self, *args):
1475 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1476 return _IMP_saxs.ProfileFitterChiLog_resample(self, *args)
1478 def write_SAXS_fit_file(self, *args):
1480 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1481 IMP::Float const c=1, IMP::Float const offset=0)
1482 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square,
1483 IMP::Float const c=1)
1484 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, IMP::Float const chi_square)
1486 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, *args)
1488 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1489 __del__ =
lambda self :
None;
1490 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1491 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1494 def get_module_version():
1495 """get_module_version() -> std::string const"""
1496 return _IMP_saxs.get_module_version()
1499 """get_example_path(std::string fname) -> std::string"""
1500 return _IMP_saxs.get_example_path(*args)
1503 """get_data_path(std::string fname) -> std::string"""
1504 return _IMP_saxs.get_data_path(*args)
1505 from .
import _version_check
1506 _version_check.check_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 installed data.
Low level functionality (logging, error handling, profiling, command line flags etc) that is used by ...
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
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.
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.
Functionality for loading, creating, manipulating and scoring atomic structures.
IMP::kernel::Restraint Restraint