10 from __future__
import print_function, division, absolute_import
15 from sys
import version_info
as _swig_python_version_info
16 if _swig_python_version_info >= (2, 7, 0):
17 def swig_import_helper():
19 pkg = __name__.rpartition(
'.')[0]
20 mname =
'.'.join((pkg,
'_IMP_saxs')).lstrip(
'.')
22 return importlib.import_module(mname)
24 return importlib.import_module(
'_IMP_saxs')
25 _IMP_saxs = swig_import_helper()
26 del swig_import_helper
27 elif _swig_python_version_info >= (2, 6, 0):
28 def swig_import_helper():
29 from os.path
import dirname
33 fp, pathname, description = imp.find_module(
'_IMP_saxs', [dirname(__file__)])
39 _mod = imp.load_module(
'_IMP_saxs', fp, pathname, description)
43 _IMP_saxs = swig_import_helper()
44 del swig_import_helper
47 del _swig_python_version_info
49 _swig_property = property
54 import builtins
as __builtin__
58 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
59 if (name ==
"thisown"):
60 return self.this.own(value)
62 if type(value).__name__ ==
'SwigPyObject':
63 self.__dict__[name] = value
65 method = class_type.__swig_setmethods__.get(name,
None)
67 return method(self, value)
69 object.__setattr__(self, name, value)
71 raise AttributeError(
"You cannot add attributes to %s" % self)
74 def _swig_setattr(self, class_type, name, value):
75 return _swig_setattr_nondynamic(self, class_type, name, value, 0)
78 def _swig_getattr(self, class_type, name):
79 if (name ==
"thisown"):
80 return self.this.own()
81 method = class_type.__swig_getmethods__.get(name,
None)
84 raise AttributeError(
"'%s' object has no attribute '%s'" % (class_type.__name__, name))
89 strthis =
"proxy of " + self.this.__repr__()
90 except __builtin__.Exception:
92 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
95 def _swig_setattr_nondynamic_method(set):
96 def set_attr(self, name, value):
97 if (name ==
"thisown"):
98 return self.this.own(value)
99 if hasattr(self, name)
or (name ==
"this"):
100 set(self, name, value)
102 raise AttributeError(
"You cannot add attributes to %s" % self)
108 weakref_proxy = weakref.proxy
109 except __builtin__.Exception:
110 weakref_proxy =
lambda x: x
113 class IMP_SAXS_SwigPyIterator(object):
114 """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
116 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
118 def __init__(self, *args, **kwargs):
119 raise AttributeError(
"No constructor defined - class is abstract")
120 __repr__ = _swig_repr
121 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
122 __del__ =
lambda self:
None
125 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
126 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
131 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
132 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
134 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
139 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
140 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
142 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
145 def distance(self, x):
146 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
147 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
151 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
152 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
156 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
157 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
161 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
162 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
166 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
167 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
171 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
172 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
175 def advance(self, n):
176 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
177 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
181 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
182 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
186 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
187 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
190 def __iadd__(self, n):
191 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
192 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
195 def __isub__(self, n):
196 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
197 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
200 def __add__(self, n):
201 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
202 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
205 def __sub__(self, *args):
207 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
208 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
210 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
214 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
215 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
223 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
224 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
225 IMP_SILENT = _IMP_saxs.IMP_SILENT
226 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
227 IMP_TERSE = _IMP_saxs.IMP_TERSE
228 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
229 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
230 IMP_NONE = _IMP_saxs.IMP_NONE
231 IMP_USAGE = _IMP_saxs.IMP_USAGE
232 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
233 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
234 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
235 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
236 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR
237 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
238 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
239 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
240 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
241 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
244 class _DirectorObjects(object):
245 """@internal Simple class to keep references to director objects
246 to prevent premature deletion."""
249 def register(self, obj):
250 """Take a reference to a director object; will only work for
251 refcounted C++ classes"""
252 if hasattr(obj,
'get_ref_count'):
253 self._objects.append(obj)
255 """Only drop our reference and allow cleanup by Python if no other
256 Python references exist (we hold 3 references: one in self._objects,
257 one in x, and one in the argument list for getrefcount) *and* no
258 other C++ references exist (the Python object always holds one)"""
259 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
260 or x.get_ref_count() > 1]
264 def get_object_count(self):
265 """Get number of director objects (useful for testing only)"""
266 return len(self._objects)
267 _director_objects = _DirectorObjects()
269 class _ostream(object):
270 """Proxy of C++ std::ostream class."""
272 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
274 def __init__(self, *args, **kwargs):
275 raise AttributeError(
"No constructor defined")
276 __repr__ = _swig_repr
278 def write(self, osa_buf):
279 """write(_ostream self, char const * osa_buf)"""
280 return _IMP_saxs._ostream_write(self, osa_buf)
282 _ostream_swigregister = _IMP_saxs._ostream_swigregister
283 _ostream_swigregister(_ostream)
285 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
286 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
287 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
288 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
290 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
291 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
292 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
293 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
294 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
296 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
297 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
298 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
299 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
300 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
301 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
302 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
303 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
305 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
306 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
307 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
308 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
309 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
310 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
311 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
313 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
314 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
315 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
316 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
317 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
318 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
319 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
320 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
322 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
323 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
324 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
325 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
326 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
327 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
328 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
329 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
330 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
332 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
333 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
334 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
335 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
336 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
337 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
338 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
339 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
340 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
341 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
342 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
344 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
345 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
346 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
348 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
349 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
350 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
351 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
352 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
353 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
354 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
355 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
356 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
357 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
358 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
359 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
360 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
361 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
362 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
364 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
365 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
366 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
367 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
368 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
369 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
370 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
371 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
372 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
373 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
374 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
375 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
376 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
377 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
378 class DistBase(object):
379 """Proxy of C++ std::vector<(double)> class."""
381 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
382 __repr__ = _swig_repr
385 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
386 return _IMP_saxs.DistBase_iterator(self)
389 return self.iterator()
391 def __nonzero__(self):
392 """__nonzero__(DistBase self) -> bool"""
393 return _IMP_saxs.DistBase___nonzero__(self)
397 """__bool__(DistBase self) -> bool"""
398 return _IMP_saxs.DistBase___bool__(self)
402 """__len__(DistBase self) -> std::vector< double >::size_type"""
403 return _IMP_saxs.DistBase___len__(self)
406 def __getslice__(self, i, j):
407 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
408 return _IMP_saxs.DistBase___getslice__(self, i, j)
411 def __setslice__(self, *args):
413 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
414 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
416 return _IMP_saxs.DistBase___setslice__(self, *args)
419 def __delslice__(self, i, j):
420 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
421 return _IMP_saxs.DistBase___delslice__(self, i, j)
424 def __delitem__(self, *args):
426 __delitem__(DistBase self, std::vector< double >::difference_type i)
427 __delitem__(DistBase self, PySliceObject * slice)
429 return _IMP_saxs.DistBase___delitem__(self, *args)
432 def __getitem__(self, *args):
434 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
435 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
437 return _IMP_saxs.DistBase___getitem__(self, *args)
440 def __setitem__(self, *args):
442 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
443 __setitem__(DistBase self, PySliceObject * slice)
444 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
446 return _IMP_saxs.DistBase___setitem__(self, *args)
450 """pop(DistBase self) -> std::vector< double >::value_type"""
451 return _IMP_saxs.DistBase_pop(self)
455 """append(DistBase self, std::vector< double >::value_type const & x)"""
456 return _IMP_saxs.DistBase_append(self, x)
460 """empty(DistBase self) -> bool"""
461 return _IMP_saxs.DistBase_empty(self)
465 """size(DistBase self) -> std::vector< double >::size_type"""
466 return _IMP_saxs.DistBase_size(self)
470 """swap(DistBase self, DistBase v)"""
471 return _IMP_saxs.DistBase_swap(self, v)
475 """begin(DistBase self) -> std::vector< double >::iterator"""
476 return _IMP_saxs.DistBase_begin(self)
480 """end(DistBase self) -> std::vector< double >::iterator"""
481 return _IMP_saxs.DistBase_end(self)
485 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
486 return _IMP_saxs.DistBase_rbegin(self)
490 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
491 return _IMP_saxs.DistBase_rend(self)
495 """clear(DistBase self)"""
496 return _IMP_saxs.DistBase_clear(self)
499 def get_allocator(self):
500 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
501 return _IMP_saxs.DistBase_get_allocator(self)
505 """pop_back(DistBase self)"""
506 return _IMP_saxs.DistBase_pop_back(self)
509 def erase(self, *args):
511 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
512 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
514 return _IMP_saxs.DistBase_erase(self, *args)
517 def __init__(self, *args):
519 __init__(std::vector<(double)> self) -> DistBase
520 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
521 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
522 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
524 this = _IMP_saxs.new_DistBase(*args)
526 self.this.append(this)
527 except __builtin__.Exception:
530 def push_back(self, x):
531 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
532 return _IMP_saxs.DistBase_push_back(self, x)
536 """front(DistBase self) -> std::vector< double >::value_type const &"""
537 return _IMP_saxs.DistBase_front(self)
541 """back(DistBase self) -> std::vector< double >::value_type const &"""
542 return _IMP_saxs.DistBase_back(self)
545 def assign(self, n, x):
546 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
547 return _IMP_saxs.DistBase_assign(self, n, x)
550 def resize(self, *args):
552 resize(DistBase self, std::vector< double >::size_type new_size)
553 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
555 return _IMP_saxs.DistBase_resize(self, *args)
558 def insert(self, *args):
560 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
561 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
563 return _IMP_saxs.DistBase_insert(self, *args)
566 def reserve(self, n):
567 """reserve(DistBase self, std::vector< double >::size_type n)"""
568 return _IMP_saxs.DistBase_reserve(self, n)
572 """capacity(DistBase self) -> std::vector< double >::size_type"""
573 return _IMP_saxs.DistBase_capacity(self)
575 __swig_destroy__ = _IMP_saxs.delete_DistBase
576 __del__ =
lambda self:
None
577 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
578 DistBase_swigregister(DistBase)
581 _object_types.append(
"Profile")
584 def _object_cast_to_Profile(o):
585 """_object_cast_to_Profile(Object o) -> Profile"""
586 return _IMP_saxs._object_cast_to_Profile(o)
588 _object_types.append(
"ChiScore")
591 def _object_cast_to_ChiScore(o):
592 """_object_cast_to_ChiScore(Object o) -> ChiScore"""
593 return _IMP_saxs._object_cast_to_ChiScore(o)
595 _object_types.append(
"ChiScoreLog")
598 def _object_cast_to_ChiScoreLog(o):
599 """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
600 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
601 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
602 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
603 CA_ATOMS = _IMP_saxs.CA_ATOMS
604 RESIDUES = _IMP_saxs.RESIDUES
605 class FormFactorTable(object):
606 """Proxy of C++ IMP::saxs::FormFactorTable class."""
608 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
609 __repr__ = _swig_repr
611 def __init__(self, *args):
613 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
614 __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
616 this = _IMP_saxs.new_FormFactorTable(*args)
618 self.this.append(this)
619 except __builtin__.Exception:
622 def get_form_factor(self, *args):
624 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
625 get_form_factor(FormFactorTable self, Particle p) -> double
627 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
630 def get_vacuum_form_factor(self, *args):
632 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
633 get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
635 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
638 def get_dummy_form_factor(self, *args):
640 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
641 get_dummy_form_factor(FormFactorTable self, Particle p) -> double
643 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
646 def get_water_form_factor(self):
647 """get_water_form_factor(FormFactorTable self) -> double"""
648 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
651 def get_vacuum_water_form_factor(self):
652 """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
653 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
656 def get_dummy_water_form_factor(self):
657 """get_dummy_water_form_factor(FormFactorTable self) -> double"""
658 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
661 def get_form_factors(self, *args):
663 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
664 get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
666 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
669 def get_vacuum_form_factors(self, *args):
671 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
672 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
674 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
677 def get_dummy_form_factors(self, *args):
679 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
680 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
682 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
685 def get_water_form_factors(self):
686 """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
687 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
690 def get_water_vacuum_form_factors(self):
691 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
692 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
695 def get_water_dummy_form_factors(self):
696 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
697 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
700 def get_radius(self, *args):
702 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
703 get_radius(FormFactorTable self, Particle p) -> double
705 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
710 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
711 get_volume(FormFactorTable self, Particle p) -> double
713 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
716 def show(self, *args):
718 show(FormFactorTable self, _ostream out, std::string prefix)
719 show(FormFactorTable self, _ostream out)
720 show(FormFactorTable self)
722 return _IMP_saxs.FormFactorTable_show(self, *args)
724 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
725 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
726 __del__ =
lambda self:
None
727 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
728 FormFactorTable_swigregister(FormFactorTable)
729 cvar = _IMP_saxs.cvar
733 """get_default_form_factor_table() -> FormFactorTable"""
734 return _IMP_saxs.get_default_form_factor_table()
736 """Proxy of C++ IMP::saxs::Profile class."""
738 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
740 def __init__(self, *args):
742 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
743 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
744 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
745 __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
746 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
747 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
748 __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
749 __init__(IMP::saxs::Profile self) -> Profile
751 this = _IMP_saxs.new_Profile(*args)
753 self.this.append(this)
754 except __builtin__.Exception:
757 def calculate_profile_partial(self, *args):
759 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
760 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
761 calculate_profile_partial(Profile self, IMP::Particles const & particles)
762 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2, IMP::saxs::FormFactorType ff_type)
763 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
764 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
765 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
767 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
770 def calculate_profile_reciprocal_partial(self, *args):
772 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
773 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
774 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
776 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
779 def calculate_profile(self, *args):
781 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
782 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
783 calculate_profile(Profile self, IMP::Particles const & particles)
784 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
785 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
787 return _IMP_saxs.Profile_calculate_profile(self, *args)
790 def calculate_I0(self, *args):
792 calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
793 calculate_I0(Profile self, IMP::Particles const & particles) -> double
795 return _IMP_saxs.Profile_calculate_I0(self, *args)
798 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
800 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
801 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
803 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
806 def calculate_profile_symmetric(self, *args):
808 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
809 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
811 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
814 def profile_2_distribution(self, rd, max_distance):
815 """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
816 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
819 def distribution_2_profile(self, r_dist):
820 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
821 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
824 def resample(self, exp_profile, resampled_profile):
825 """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
826 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
829 def downsample(self, downsampled_profile, point_number):
830 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
831 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
836 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
837 radius_of_gyration(Profile self) -> double
839 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
842 def mean_intensity(self):
843 """mean_intensity(Profile self) -> double"""
844 return _IMP_saxs.Profile_mean_intensity(self)
847 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
849 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)
850 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
851 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
852 read_SAXS_file(Profile self, std::string const & file_name)
854 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
857 def write_SAXS_file(self, file_name, max_q=0.0):
859 write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
860 write_SAXS_file(Profile self, std::string const & file_name)
862 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
865 def read_partial_profiles(self, file_name):
866 """read_partial_profiles(Profile self, std::string const & file_name)"""
867 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
870 def write_partial_profiles(self, file_name):
871 """write_partial_profiles(Profile self, std::string const & file_name)"""
872 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
875 def get_delta_q(self):
876 """get_delta_q(Profile self) -> double"""
877 return _IMP_saxs.Profile_get_delta_q(self)
881 """get_min_q(Profile self) -> double"""
882 return _IMP_saxs.Profile_get_min_q(self)
886 """get_max_q(Profile self) -> double"""
887 return _IMP_saxs.Profile_get_max_q(self)
890 def get_intensity(self, i):
891 """get_intensity(Profile self, unsigned int i) -> double"""
892 return _IMP_saxs.Profile_get_intensity(self, i)
896 """get_q(Profile self, unsigned int i) -> double"""
897 return _IMP_saxs.Profile_get_q(self, i)
900 def get_error(self, i):
901 """get_error(Profile self, unsigned int i) -> double"""
902 return _IMP_saxs.Profile_get_error(self, i)
905 def get_weight(self, i):
906 """get_weight(Profile self, unsigned int i) -> double"""
907 return _IMP_saxs.Profile_get_weight(self, i)
911 """get_qs(Profile self) -> Eigen::VectorXf const &"""
912 return _IMP_saxs.Profile_get_qs(self)
915 def get_intensities(self):
916 """get_intensities(Profile self) -> Eigen::VectorXf const &"""
917 return _IMP_saxs.Profile_get_intensities(self)
920 def get_errors(self):
921 """get_errors(Profile self) -> Eigen::VectorXf const &"""
922 return _IMP_saxs.Profile_get_errors(self)
925 def get_average_radius(self):
926 """get_average_radius(Profile self) -> double"""
927 return _IMP_saxs.Profile_get_average_radius(self)
931 """size(Profile self) -> unsigned int"""
932 return _IMP_saxs.Profile_size(self)
935 def is_uniform_sampling(self):
936 """is_uniform_sampling(Profile self) -> bool"""
937 return _IMP_saxs.Profile_is_uniform_sampling(self)
940 def is_partial_profile(self):
941 """is_partial_profile(Profile self) -> bool"""
942 return _IMP_saxs.Profile_is_partial_profile(self)
946 """get_name(Profile self) -> std::string"""
947 return _IMP_saxs.Profile_get_name(self)
951 """get_id(Profile self) -> unsigned int"""
952 return _IMP_saxs.Profile_get_id(self)
956 """set_qs(Profile self, Eigen::VectorXf const & q)"""
957 return _IMP_saxs.Profile_set_qs(self, q)
960 def set_intensities(self, i):
961 """set_intensities(Profile self, Eigen::VectorXf const & i)"""
962 return _IMP_saxs.Profile_set_intensities(self, i)
965 def set_errors(self, e):
966 """set_errors(Profile self, Eigen::VectorXf const & e)"""
967 return _IMP_saxs.Profile_set_errors(self, e)
970 def set_intensity(self, i, iq):
971 """set_intensity(Profile self, unsigned int i, double iq)"""
972 return _IMP_saxs.Profile_set_intensity(self, i, iq)
975 def set_ff_table(self, ff_table):
976 """set_ff_table(Profile self, FormFactorTable ff_table)"""
977 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
980 def set_average_radius(self, r):
981 """set_average_radius(Profile self, double r)"""
982 return _IMP_saxs.Profile_set_average_radius(self, r)
985 def set_average_volume(self, v):
986 """set_average_volume(Profile self, double v)"""
987 return _IMP_saxs.Profile_set_average_volume(self, v)
990 def set_name(self, name):
991 """set_name(Profile self, std::string name)"""
992 return _IMP_saxs.Profile_set_name(self, name)
995 def set_id(self, id):
996 """set_id(Profile self, unsigned int id)"""
997 return _IMP_saxs.Profile_set_id(self, id)
1000 def set_beam_profile(self, beam_profile_file):
1001 """set_beam_profile(Profile self, std::string beam_profile_file)"""
1002 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
1005 def add_errors(self):
1006 """add_errors(Profile self)"""
1007 return _IMP_saxs.Profile_add_errors(self)
1010 def add_noise(self, percentage=0.03):
1012 add_noise(Profile self, double percentage=0.03)
1013 add_noise(Profile self)
1015 return _IMP_saxs.Profile_add_noise(self, percentage)
1018 def sum_partial_profiles(self, c1, c2, check_cashed=True):
1020 sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1021 sum_partial_profiles(Profile self, double c1, double c2)
1023 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1026 def add(self, *args):
1028 add(Profile self, Profile other_profile, double weight=1.0)
1029 add(Profile self, Profile other_profile)
1030 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1031 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1033 return _IMP_saxs.Profile_add(self, *args)
1036 def add_partial_profiles(self, *args):
1038 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1039 add_partial_profiles(Profile self, Profile other_profile)
1040 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1041 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1043 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1046 def background_adjust(self, start_q):
1047 """background_adjust(Profile self, double start_q)"""
1048 return _IMP_saxs.Profile_background_adjust(self, start_q)
1052 """scale(Profile self, double c)"""
1053 return _IMP_saxs.Profile_scale(self, c)
1056 def offset(self, c):
1057 """offset(Profile self, double c)"""
1058 return _IMP_saxs.Profile_offset(self, c)
1061 def copy_errors(self, exp_profile):
1062 """copy_errors(Profile self, Profile exp_profile)"""
1063 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1066 def get_version_info(self):
1067 """get_version_info(Profile self) -> VersionInfo"""
1068 return _IMP_saxs.Profile_get_version_info(self)
1072 """__str__(Profile self) -> std::string"""
1073 return _IMP_saxs.Profile___str__(self)
1077 """__repr__(Profile self) -> std::string"""
1078 return _IMP_saxs.Profile___repr__(self)
1083 return _object_cast_to_Profile(o)
1085 Profile_swigregister = _IMP_saxs.Profile_swigregister
1086 Profile_swigregister(Profile)
1087 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1089 class FitParameters(object):
1090 """Proxy of C++ IMP::saxs::FitParameters class."""
1092 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1093 __repr__ = _swig_repr
1095 def __init__(self, *args):
1097 __init__(IMP::saxs::FitParameters self) -> FitParameters
1098 __init__(IMP::saxs::FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
1099 __init__(IMP::saxs::FitParameters self, double chi_square, double c1, double c2) -> FitParameters
1101 this = _IMP_saxs.new_FitParameters(*args)
1103 self.this.append(this)
1104 except __builtin__.Exception:
1107 def get_score(self):
1108 """get_score(FitParameters self) -> double"""
1109 return _IMP_saxs.FitParameters_get_score(self)
1112 def get_chi_square(self):
1113 """get_chi_square(FitParameters self) -> double"""
1114 return _IMP_saxs.FitParameters_get_chi_square(self)
1118 """get_c1(FitParameters self) -> double"""
1119 return _IMP_saxs.FitParameters_get_c1(self)
1123 """get_c2(FitParameters self) -> double"""
1124 return _IMP_saxs.FitParameters_get_c2(self)
1127 def get_scale(self):
1128 """get_scale(FitParameters self) -> double"""
1129 return _IMP_saxs.FitParameters_get_scale(self)
1132 def get_offset(self):
1133 """get_offset(FitParameters self) -> double"""
1134 return _IMP_saxs.FitParameters_get_offset(self)
1137 def get_default_chi_square(self):
1138 """get_default_chi_square(FitParameters self) -> double"""
1139 return _IMP_saxs.FitParameters_get_default_chi_square(self)
1142 def get_pdb_file_name(self):
1143 """get_pdb_file_name(FitParameters self) -> std::string"""
1144 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1147 def get_profile_file_name(self):
1148 """get_profile_file_name(FitParameters self) -> std::string"""
1149 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1152 def get_mol_index(self):
1153 """get_mol_index(FitParameters self) -> int"""
1154 return _IMP_saxs.FitParameters_get_mol_index(self)
1157 def set_score(self, score):
1158 """set_score(FitParameters self, double score)"""
1159 return _IMP_saxs.FitParameters_set_score(self, score)
1162 def set_chi_square(self, chi_square):
1163 """set_chi_square(FitParameters self, double chi_square)"""
1164 return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1167 def set_default_chi_square(self, chi_square):
1168 """set_default_chi_square(FitParameters self, double chi_square)"""
1169 return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1172 def set_profile_file_name(self, file_name):
1173 """set_profile_file_name(FitParameters self, std::string file_name)"""
1174 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1177 def set_pdb_file_name(self, file_name):
1178 """set_pdb_file_name(FitParameters self, std::string file_name)"""
1179 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1182 def set_mol_index(self, index):
1183 """set_mol_index(FitParameters self, int index)"""
1184 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1188 """show(FitParameters self, _ostream s)"""
1189 return _IMP_saxs.FitParameters_show(self, s)
1191 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1192 __del__ =
lambda self:
None
1193 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1194 FitParameters_swigregister(FitParameters)
1196 class WeightedFitParameters(FitParameters):
1197 """Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1199 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1200 __repr__ = _swig_repr
1202 def __init__(self, *args):
1204 __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1205 __init__(IMP::saxs::WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1207 this = _IMP_saxs.new_WeightedFitParameters(*args)
1209 self.this.append(this)
1210 except __builtin__.Exception:
1213 def get_weights(self):
1214 """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1215 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1218 def set_weights(self, weights):
1219 """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1220 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1224 """show(WeightedFitParameters self, _ostream s)"""
1225 return _IMP_saxs.WeightedFitParameters_show(self, s)
1227 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1228 __del__ =
lambda self:
None
1229 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1230 WeightedFitParameters_swigregister(WeightedFitParameters)
1233 """Proxy of C++ IMP::saxs::ChiScore class."""
1235 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1238 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1239 this = _IMP_saxs.new_ChiScore()
1241 self.this.append(this)
1242 except __builtin__.Exception:
1245 def compute_score(self, exp_profile, model_profile, use_offset=False):
1247 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1248 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1250 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1253 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1255 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1256 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1258 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1261 def compute_offset(self, exp_profile, model_profile):
1262 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1263 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1266 def get_version_info(self):
1267 """get_version_info(ChiScore self) -> VersionInfo"""
1268 return _IMP_saxs.ChiScore_get_version_info(self)
1272 """__str__(ChiScore self) -> std::string"""
1273 return _IMP_saxs.ChiScore___str__(self)
1277 """__repr__(ChiScore self) -> std::string"""
1278 return _IMP_saxs.ChiScore___repr__(self)
1283 return _object_cast_to_ChiScore(o)
1285 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1286 ChiScore_swigregister(ChiScore)
1289 """Proxy of C++ IMP::saxs::ChiScoreLog class."""
1291 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1294 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1295 this = _IMP_saxs.new_ChiScoreLog()
1297 self.this.append(this)
1298 except __builtin__.Exception:
1301 def compute_score(self, *args):
1303 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1304 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1305 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1307 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1310 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1312 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1313 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1315 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1318 def compute_offset(self, exp_profile, model_profile):
1319 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1320 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1323 def get_version_info(self):
1324 """get_version_info(ChiScoreLog self) -> VersionInfo"""
1325 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1329 """__str__(ChiScoreLog self) -> std::string"""
1330 return _IMP_saxs.ChiScoreLog___str__(self)
1334 """__repr__(ChiScoreLog self) -> std::string"""
1335 return _IMP_saxs.ChiScoreLog___repr__(self)
1340 return _object_cast_to_ChiScoreLog(o)
1342 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1343 ChiScoreLog_swigregister(ChiScoreLog)
1346 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class."""
1348 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1349 __repr__ = _swig_repr
1351 def __init__(self, *args):
1353 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1354 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1356 this = _IMP_saxs.new_ProfileFitterChi(*args)
1358 self.this.append(this)
1359 except __builtin__.Exception:
1362 def compute_score(self, *args):
1364 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1365 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1366 compute_score(ProfileFitterChi self, Profile model_profile) -> double
1368 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1371 def fit_profile(self, *args):
1373 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1374 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1375 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1376 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1377 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1378 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1379 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1381 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1384 def compute_scale_factor(self, model_profile, offset=0.0):
1386 compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1387 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1389 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1392 def compute_offset(self, model_profile):
1393 """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1394 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1397 def resample(self, model_profile, resampled_profile):
1398 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1399 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1402 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1404 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1405 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1406 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1408 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1410 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1411 __del__ =
lambda self:
None
1412 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1413 ProfileFitterChi_swigregister(ProfileFitterChi)
1415 class WeightedProfileFitterChi(ProfileFitterChi):
1416 """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class."""
1418 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1419 __repr__ = _swig_repr
1421 def __init__(self, exp_profile):
1422 """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1423 this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1425 self.this.append(this)
1426 except __builtin__.Exception:
1429 def compute_score(self, profiles, weights, use_offset=False, NNLS=True):
1431 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False, bool NNLS=True) -> double
1432 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False) -> double
1433 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1435 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, use_offset, NNLS)
1438 def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0, use_offset=False):
1440 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> WeightedFitParameters
1441 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> WeightedFitParameters
1442 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> WeightedFitParameters
1443 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1444 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1445 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1447 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1450 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1452 write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)
1453 write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)
1455 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1457 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1458 __del__ =
lambda self:
None
1459 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1460 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1463 """Proxy of C++ IMP::saxs::Restraint class."""
1465 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1466 __repr__ = _swig_repr
1468 def __init__(self, *args):
1470 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1471 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1473 this = _IMP_saxs.new_Restraint(*args)
1475 self.this.append(this)
1476 except __builtin__.Exception:
1479 if self.__class__ != Restraint:
1480 _director_objects.register(self)
1485 def do_get_inputs(self):
1486 """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1487 return _IMP_saxs.Restraint_do_get_inputs(self)
1490 def get_version_info(self):
1491 """get_version_info(Restraint self) -> VersionInfo"""
1492 return _IMP_saxs.Restraint_get_version_info(self)
1494 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1495 Restraint_swigregister(Restraint)
1497 class RadiusOfGyrationRestraint(Restraint):
1498 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1500 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1501 __repr__ = _swig_repr
1503 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1505 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1506 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1508 this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1510 self.this.append(this)
1511 except __builtin__.Exception:
1513 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1514 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1516 class FloatDistribution(DistBase):
1517 """Proxy of C++ IMP::saxs::Distribution<(double)> class."""
1519 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1520 __repr__ = _swig_repr
1522 def __init__(self, *args):
1524 __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1525 __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1527 this = _IMP_saxs.new_FloatDistribution(*args)
1529 self.this.append(this)
1530 except __builtin__.Exception:
1533 def get_max_distance(self):
1534 """get_max_distance(FloatDistribution self) -> double"""
1535 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1538 def get_bin_size(self):
1539 """get_bin_size(FloatDistribution self) -> double"""
1540 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1543 def get_index_from_distance(self, dist):
1544 """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1545 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1548 def get_distance_from_index(self, index):
1549 """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1550 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1552 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1553 __del__ =
lambda self:
None
1554 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1555 FloatDistribution_swigregister(FloatDistribution)
1557 class VectorDistribution(object):
1558 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class."""
1560 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1561 __repr__ = _swig_repr
1563 def __init__(self, *args):
1565 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1566 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1568 this = _IMP_saxs.new_VectorDistribution(*args)
1570 self.this.append(this)
1571 except __builtin__.Exception:
1574 def get_max_distance(self):
1575 """get_max_distance(VectorDistribution self) -> double"""
1576 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1579 def get_bin_size(self):
1580 """get_bin_size(VectorDistribution self) -> double"""
1581 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1584 def get_index_from_distance(self, dist):
1585 """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1586 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1589 def get_distance_from_index(self, index):
1590 """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1591 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1593 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1594 __del__ =
lambda self:
None
1595 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1596 VectorDistribution_swigregister(VectorDistribution)
1598 class RadialDistributionFunction(FloatDistribution):
1599 """Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1601 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1602 __repr__ = _swig_repr
1604 def __init__(self, *args):
1606 __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1607 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1608 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1610 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1612 self.this.append(this)
1613 except __builtin__.Exception:
1617 """scale(RadialDistributionFunction self, double c)"""
1618 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1621 def add(self, model_pr):
1622 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1623 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1626 def show(self, *args):
1628 show(RadialDistributionFunction self, _ostream out)
1629 show(RadialDistributionFunction self)
1631 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1634 def R_factor_score(self, *args):
1636 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1637 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1639 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1642 def fit(self, *args):
1644 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1645 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1647 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1650 def normalize(self):
1651 """normalize(RadialDistributionFunction self)"""
1652 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1655 def add_to_distribution(self, dist, value):
1656 """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1657 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1659 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1660 __del__ =
lambda self:
None
1661 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1662 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1664 class DeltaDistributionFunction(VectorDistribution):
1665 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1667 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1668 __repr__ = _swig_repr
1670 def __init__(self, *args):
1672 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1673 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1674 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1676 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1678 self.this.append(this)
1679 except __builtin__.Exception:
1682 def calculate_derivative_distribution(self, particle):
1683 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1684 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1687 def show(self, *args):
1689 show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1690 show(DeltaDistributionFunction self, _ostream out)
1691 show(DeltaDistributionFunction self)
1693 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1695 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1696 __del__ =
lambda self:
None
1697 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1698 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1700 class SolventAccessibleSurface(object):
1701 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1703 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1704 __repr__ = _swig_repr
1706 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1708 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1709 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1710 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1712 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1716 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1717 this = _IMP_saxs.new_SolventAccessibleSurface()
1719 self.this.append(this)
1720 except __builtin__.Exception:
1722 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1723 __del__ =
lambda self:
None
1724 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1725 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1728 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class."""
1730 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1731 __repr__ = _swig_repr
1733 def __init__(self, *args):
1735 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1736 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1738 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1740 self.this.append(this)
1741 except __builtin__.Exception:
1744 def compute_score(self, *args):
1746 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1747 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1748 compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1750 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1753 def fit_profile(self, *args):
1755 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1756 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1757 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1758 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1759 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1760 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1761 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1763 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1766 def compute_scale_factor(self, model_profile, offset=0.0):
1768 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1769 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1771 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1774 def compute_offset(self, model_profile):
1775 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1776 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1779 def resample(self, model_profile, resampled_profile):
1780 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1781 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1784 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1786 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1787 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1788 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1790 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1792 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1793 __del__ =
lambda self:
None
1794 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1795 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1797 class ProfileFitterRatioVolatility(
IMP.Object):
1798 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class."""
1800 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1801 __repr__ = _swig_repr
1803 def __init__(self, *args):
1805 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1806 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1808 this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1810 self.this.append(this)
1811 except __builtin__.Exception:
1814 def compute_score(self, *args):
1816 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1817 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1818 compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1820 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1823 def fit_profile(self, *args):
1825 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1826 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1827 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1828 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1829 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1830 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1831 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
1833 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1836 def compute_scale_factor(self, model_profile, offset=0.0):
1838 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
1839 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1841 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1844 def compute_offset(self, model_profile):
1845 """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1846 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1849 def resample(self, model_profile, resampled_profile):
1850 """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1851 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1854 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1856 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1857 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1858 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
1860 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1862 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1863 __del__ =
lambda self:
None
1864 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
1865 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1868 def get_module_version():
1869 """get_module_version() -> std::string const"""
1870 return _IMP_saxs.get_module_version()
1873 """get_example_path(std::string fname) -> std::string"""
1874 return _IMP_saxs.get_example_path(fname)
1877 """get_data_path(std::string fname) -> std::string"""
1878 return _IMP_saxs.get_data_path(fname)
1880 from .
import _version_check
1881 _version_check.check_version(get_module_version())
1882 __version__ = get_module_version()
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
FormFactorTable * get_default_form_factor_table()
Composable functors to implement scores via compile-time composition.
double get_volume(const BoundingBoxD< D > &bb)
See BoundingBoxD.
Common base class for heavy weight IMP objects.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
A restraint is a term in an IMP ScoringFunction.