17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_SAXS_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
67 r"""value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
68 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
71 r"""incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
72 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
76 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
84 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
88 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
91 r"""__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
92 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
95 r"""previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
96 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
99 r"""advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
100 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
104 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
108 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
112 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
116 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
120 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
125 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
132 _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
139 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
141 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
143 IMP_SILENT = _IMP_saxs.IMP_SILENT
145 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
147 IMP_TERSE = _IMP_saxs.IMP_TERSE
149 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
151 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
153 IMP_NONE = _IMP_saxs.IMP_NONE
155 IMP_USAGE = _IMP_saxs.IMP_USAGE
157 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_saxs.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_saxs.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_saxs.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_saxs.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 class _ostream(object):
211 r"""Proxy of C++ std::ostream class."""
213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
215 def __init__(self, *args, **kwargs):
216 raise AttributeError(
"No constructor defined")
217 __repr__ = _swig_repr
219 def write(self, osa_buf):
220 r"""write(_ostream self, char const * osa_buf)"""
221 return _IMP_saxs._ostream_write(self, osa_buf)
224 _IMP_saxs._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
234 IMP_CGAL_HAS_NUMPY = _IMP_saxs.IMP_CGAL_HAS_NUMPY
236 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
247 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
251 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
264 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
266 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
288 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
290 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
292 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
294 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
296 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
298 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
300 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
302 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
304 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
307 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
309 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
311 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
313 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
315 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
317 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
319 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
321 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
323 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
325 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
327 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
329 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
331 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
333 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
335 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
338 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
340 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
342 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
344 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
346 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
348 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
350 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
352 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
354 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
356 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
358 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
360 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
362 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
364 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
366 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
369 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
371 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
373 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
375 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
377 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
379 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
381 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
383 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
385 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
387 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
389 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
391 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
393 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
395 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
397 class DistBase(object):
398 r"""Proxy of C++ std::vector< double > class."""
400 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
401 __repr__ = _swig_repr
404 r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
405 return _IMP_saxs.DistBase_iterator(self)
407 return self.iterator()
410 r"""__bool__(DistBase self) -> bool"""
411 return _IMP_saxs.DistBase___bool__(self)
414 r"""__len__(DistBase self) -> std::vector< double >::size_type"""
415 return _IMP_saxs.DistBase___len__(self)
417 def __delitem__(self, *args):
419 __delitem__(DistBase self, std::vector< double >::difference_type i)
420 __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
422 return _IMP_saxs.DistBase___delitem__(self, *args)
424 def __getitem__(self, *args):
426 __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
427 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
429 return _IMP_saxs.DistBase___getitem__(self, *args)
431 def __setitem__(self, *args):
433 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
434 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
435 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
437 return _IMP_saxs.DistBase___setitem__(self, *args)
440 r"""pop(DistBase self) -> std::vector< double >::value_type"""
441 return _IMP_saxs.DistBase_pop(self)
444 r"""append(DistBase self, std::vector< double >::value_type const & x)"""
445 return _IMP_saxs.DistBase_append(self, x)
448 r"""empty(DistBase self) -> bool"""
449 return _IMP_saxs.DistBase_empty(self)
452 r"""size(DistBase self) -> std::vector< double >::size_type"""
453 return _IMP_saxs.DistBase_size(self)
456 r"""swap(DistBase self, DistBase v)"""
457 return _IMP_saxs.DistBase_swap(self, v)
460 r"""begin(DistBase self) -> std::vector< double >::iterator"""
461 return _IMP_saxs.DistBase_begin(self)
464 r"""end(DistBase self) -> std::vector< double >::iterator"""
465 return _IMP_saxs.DistBase_end(self)
468 r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
469 return _IMP_saxs.DistBase_rbegin(self)
472 r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
473 return _IMP_saxs.DistBase_rend(self)
476 r"""clear(DistBase self)"""
477 return _IMP_saxs.DistBase_clear(self)
479 def get_allocator(self):
480 r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
481 return _IMP_saxs.DistBase_get_allocator(self)
484 r"""pop_back(DistBase self)"""
485 return _IMP_saxs.DistBase_pop_back(self)
487 def erase(self, *args):
489 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
490 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
492 return _IMP_saxs.DistBase_erase(self, *args)
494 def __init__(self, *args):
496 __init__(DistBase self) -> DistBase
497 __init__(DistBase self, DistBase other) -> DistBase
498 __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
499 __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
501 _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
503 def push_back(self, x):
504 r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
505 return _IMP_saxs.DistBase_push_back(self, x)
508 r"""front(DistBase self) -> std::vector< double >::value_type const &"""
509 return _IMP_saxs.DistBase_front(self)
512 r"""back(DistBase self) -> std::vector< double >::value_type const &"""
513 return _IMP_saxs.DistBase_back(self)
515 def assign(self, n, x):
516 r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
517 return _IMP_saxs.DistBase_assign(self, n, x)
519 def resize(self, *args):
521 resize(DistBase self, std::vector< double >::size_type new_size)
522 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
524 return _IMP_saxs.DistBase_resize(self, *args)
526 def insert(self, *args):
528 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
529 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
531 return _IMP_saxs.DistBase_insert(self, *args)
533 def reserve(self, n):
534 r"""reserve(DistBase self, std::vector< double >::size_type n)"""
535 return _IMP_saxs.DistBase_reserve(self, n)
538 r"""capacity(DistBase self) -> std::vector< double >::size_type"""
539 return _IMP_saxs.DistBase_capacity(self)
540 __swig_destroy__ = _IMP_saxs.delete_DistBase
543 _IMP_saxs.DistBase_swigregister(DistBase)
545 _object_types.append(
"Profile")
548 def _object_cast_to_Profile(o):
549 r"""_object_cast_to_Profile(Object o) -> Profile"""
550 return _IMP_saxs._object_cast_to_Profile(o)
552 _object_types.append(
"ChiScore")
555 def _object_cast_to_ChiScore(o):
556 r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
557 return _IMP_saxs._object_cast_to_ChiScore(o)
559 _object_types.append(
"ChiScoreLog")
562 def _object_cast_to_ChiScoreLog(o):
563 r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
564 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
566 _object_types.append(
"Restraint")
568 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
570 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
572 CA_ATOMS = _IMP_saxs.CA_ATOMS
574 RESIDUES = _IMP_saxs.RESIDUES
576 class FormFactorTable(object):
577 r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
579 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
580 __repr__ = _swig_repr
582 def __init__(self, *args):
584 __init__(FormFactorTable self) -> FormFactorTable
585 __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
587 _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
589 def get_form_factor(self, *args):
590 r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
591 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
593 def get_vacuum_form_factor(self, *args):
594 r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
595 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
597 def get_dummy_form_factor(self, *args):
598 r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
599 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
601 def get_water_form_factor(self):
602 r"""get_water_form_factor(FormFactorTable self) -> double"""
603 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
605 def get_vacuum_water_form_factor(self):
606 r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
607 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
609 def get_dummy_water_form_factor(self):
610 r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
611 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
613 def get_form_factors(self, *args):
614 r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
615 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
617 def get_vacuum_form_factors(self, *args):
618 r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
619 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
621 def get_dummy_form_factors(self, *args):
622 r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
623 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
625 def get_water_form_factors(self):
626 r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
627 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
629 def get_water_vacuum_form_factors(self):
630 r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
631 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
633 def get_water_dummy_form_factors(self):
634 r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
635 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
637 def get_radius(self, *args):
638 r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
639 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
642 r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
643 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
645 def show(self, *args):
646 r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
647 return _IMP_saxs.FormFactorTable_show(self, *args)
648 rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=
r"""rho_ : double""")
649 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
652 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
653 cvar = _IMP_saxs.cvar
657 r"""get_default_form_factor_table() -> FormFactorTable"""
658 return _IMP_saxs.get_default_form_factor_table()
660 r"""Proxy of C++ IMP::saxs::Profile class."""
662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
664 def __init__(self, *args):
666 __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
667 __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
669 _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
671 def calculate_profile_partial(self, *args):
673 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
674 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1=IMP::Vector< double >(), IMP::Vector< double > const & surface2=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
676 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
678 def calculate_profile_reciprocal_partial(self, *args):
679 r"""calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
680 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
682 def calculate_profile(self, *args):
684 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
685 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
687 return _IMP_saxs.Profile_calculate_profile(self, *args)
689 def calculate_I0(self, *args):
690 r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
691 return _IMP_saxs.Profile_calculate_I0(self, *args)
693 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
694 r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
695 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
697 def calculate_profile_symmetric(self, *args):
698 r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
699 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
701 def profile_2_distribution(self, rd, max_distance):
702 r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
703 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
705 def distribution_2_profile(self, r_dist):
706 r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
707 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
709 def resample(self, exp_profile, resampled_profile):
710 r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
711 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
713 def downsample(self, downsampled_profile, point_number):
714 r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
715 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
718 r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
719 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
721 def mean_intensity(self):
722 r"""mean_intensity(Profile self) -> double"""
723 return _IMP_saxs.Profile_mean_intensity(self)
725 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
726 r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
727 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
729 def write_SAXS_file(self, file_name, max_q=0.0):
730 r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
731 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
733 def read_partial_profiles(self, file_name):
734 r"""read_partial_profiles(Profile self, std::string const & file_name)"""
735 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
737 def write_partial_profiles(self, file_name):
738 r"""write_partial_profiles(Profile self, std::string const & file_name)"""
739 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
741 def get_delta_q(self):
742 r"""get_delta_q(Profile self) -> double"""
743 return _IMP_saxs.Profile_get_delta_q(self)
746 r"""get_min_q(Profile self) -> double"""
747 return _IMP_saxs.Profile_get_min_q(self)
750 r"""get_max_q(Profile self) -> double"""
751 return _IMP_saxs.Profile_get_max_q(self)
753 def get_intensity(self, i):
754 r"""get_intensity(Profile self, unsigned int i) -> double"""
755 return _IMP_saxs.Profile_get_intensity(self, i)
758 r"""get_q(Profile self, unsigned int i) -> double"""
759 return _IMP_saxs.Profile_get_q(self, i)
761 def get_error(self, i):
762 r"""get_error(Profile self, unsigned int i) -> double"""
763 return _IMP_saxs.Profile_get_error(self, i)
765 def get_weight(self, i):
766 r"""get_weight(Profile self, unsigned int i) -> double"""
767 return _IMP_saxs.Profile_get_weight(self, i)
770 r"""get_qs(Profile self) -> Eigen::VectorXd const &"""
771 return _IMP_saxs.Profile_get_qs(self)
773 def get_intensities(self):
774 r"""get_intensities(Profile self) -> Eigen::VectorXd const &"""
775 return _IMP_saxs.Profile_get_intensities(self)
777 def get_errors(self):
778 r"""get_errors(Profile self) -> Eigen::VectorXd const &"""
779 return _IMP_saxs.Profile_get_errors(self)
781 def get_average_radius(self):
782 r"""get_average_radius(Profile self) -> double"""
783 return _IMP_saxs.Profile_get_average_radius(self)
786 r"""size(Profile self) -> unsigned int"""
787 return _IMP_saxs.Profile_size(self)
789 def is_uniform_sampling(self):
790 r"""is_uniform_sampling(Profile self) -> bool"""
791 return _IMP_saxs.Profile_is_uniform_sampling(self)
793 def is_partial_profile(self):
794 r"""is_partial_profile(Profile self) -> bool"""
795 return _IMP_saxs.Profile_is_partial_profile(self)
798 r"""get_name(Profile self) -> std::string"""
799 return _IMP_saxs.Profile_get_name(self)
802 r"""get_id(Profile self) -> unsigned int"""
803 return _IMP_saxs.Profile_get_id(self)
806 r"""set_qs(Profile self, Eigen::VectorXd const & q)"""
807 return _IMP_saxs.Profile_set_qs(self, q)
809 def set_intensities(self, i):
810 r"""set_intensities(Profile self, Eigen::VectorXd const & i)"""
811 return _IMP_saxs.Profile_set_intensities(self, i)
813 def set_errors(self, e):
814 r"""set_errors(Profile self, Eigen::VectorXd const & e)"""
815 return _IMP_saxs.Profile_set_errors(self, e)
817 def set_intensity(self, i, iq):
818 r"""set_intensity(Profile self, unsigned int i, double iq)"""
819 return _IMP_saxs.Profile_set_intensity(self, i, iq)
821 def set_ff_table(self, ff_table):
822 r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
823 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
825 def set_average_radius(self, r):
826 r"""set_average_radius(Profile self, double r)"""
827 return _IMP_saxs.Profile_set_average_radius(self, r)
829 def set_average_volume(self, v):
830 r"""set_average_volume(Profile self, double v)"""
831 return _IMP_saxs.Profile_set_average_volume(self, v)
833 def set_name(self, name):
834 r"""set_name(Profile self, std::string name)"""
835 return _IMP_saxs.Profile_set_name(self, name)
837 def set_id(self, id):
838 r"""set_id(Profile self, unsigned int id)"""
839 return _IMP_saxs.Profile_set_id(self, id)
841 def set_beam_profile(self, beam_profile_file):
842 r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
843 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
845 def add_errors(self):
846 r"""add_errors(Profile self)"""
847 return _IMP_saxs.Profile_add_errors(self)
849 def add_noise(self, percentage=0.03):
850 r"""add_noise(Profile self, double percentage=0.03)"""
851 return _IMP_saxs.Profile_add_noise(self, percentage)
853 def sum_partial_profiles(self, c1, c2, check_cashed=True):
854 r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
855 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
857 def add(self, *args):
859 add(Profile self, Profile other_profile, double weight=1.0)
860 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
862 return _IMP_saxs.Profile_add(self, *args)
864 def add_partial_profiles(self, *args):
866 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
867 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
869 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
871 def background_adjust(self, start_q):
872 r"""background_adjust(Profile self, double start_q)"""
873 return _IMP_saxs.Profile_background_adjust(self, start_q)
876 r"""scale(Profile self, double c)"""
877 return _IMP_saxs.Profile_scale(self, c)
880 r"""offset(Profile self, double c)"""
881 return _IMP_saxs.Profile_offset(self, c)
883 def copy_errors(self, exp_profile):
884 r"""copy_errors(Profile self, Profile exp_profile)"""
885 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
887 def get_version_info(self):
888 r"""get_version_info(Profile self) -> VersionInfo"""
889 return _IMP_saxs.Profile_get_version_info(self)
890 __swig_destroy__ = _IMP_saxs.delete_Profile
893 r"""__str__(Profile self) -> std::string"""
894 return _IMP_saxs.Profile___str__(self)
897 r"""__repr__(Profile self) -> std::string"""
898 return _IMP_saxs.Profile___repr__(self)
902 return _object_cast_to_Profile(o)
905 def _get_as_binary(self):
906 r"""_get_as_binary(Profile self) -> PyObject *"""
907 return _IMP_saxs.Profile__get_as_binary(self)
909 def _set_from_binary(self, p):
910 r"""_set_from_binary(Profile self, PyObject * p)"""
911 return _IMP_saxs.Profile__set_from_binary(self, p)
913 def __getstate__(self):
914 p = self._get_as_binary()
915 if len(self.__dict__) > 1:
916 d = self.__dict__.copy()
921 def __setstate__(self, p):
922 if not hasattr(self,
'this'):
924 if isinstance(p, tuple):
926 self.__dict__.update(d)
927 return self._set_from_binary(p)
931 _IMP_saxs.Profile_swigregister(Profile)
932 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
934 class FitParameters(object):
935 r"""Proxy of C++ IMP::saxs::FitParameters class."""
937 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
938 __repr__ = _swig_repr
940 def __init__(self, *args):
942 __init__(FitParameters self) -> FitParameters
943 __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
944 __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
946 _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
949 r"""get_score(FitParameters self) -> double"""
950 return _IMP_saxs.FitParameters_get_score(self)
952 def get_chi_square(self):
953 r"""get_chi_square(FitParameters self) -> double"""
954 return _IMP_saxs.FitParameters_get_chi_square(self)
957 r"""get_c1(FitParameters self) -> double"""
958 return _IMP_saxs.FitParameters_get_c1(self)
961 r"""get_c2(FitParameters self) -> double"""
962 return _IMP_saxs.FitParameters_get_c2(self)
965 r"""get_scale(FitParameters self) -> double"""
966 return _IMP_saxs.FitParameters_get_scale(self)
968 def get_offset(self):
969 r"""get_offset(FitParameters self) -> double"""
970 return _IMP_saxs.FitParameters_get_offset(self)
972 def get_default_chi_square(self):
973 r"""get_default_chi_square(FitParameters self) -> double"""
974 return _IMP_saxs.FitParameters_get_default_chi_square(self)
976 def get_pdb_file_name(self):
977 r"""get_pdb_file_name(FitParameters self) -> std::string"""
978 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
980 def get_profile_file_name(self):
981 r"""get_profile_file_name(FitParameters self) -> std::string"""
982 return _IMP_saxs.FitParameters_get_profile_file_name(self)
984 def get_mol_index(self):
985 r"""get_mol_index(FitParameters self) -> int"""
986 return _IMP_saxs.FitParameters_get_mol_index(self)
988 def set_score(self, score):
989 r"""set_score(FitParameters self, double score)"""
990 return _IMP_saxs.FitParameters_set_score(self, score)
992 def set_chi_square(self, chi_square):
993 r"""set_chi_square(FitParameters self, double chi_square)"""
994 return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
996 def set_default_chi_square(self, chi_square):
997 r"""set_default_chi_square(FitParameters self, double chi_square)"""
998 return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1000 def set_profile_file_name(self, file_name):
1001 r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1002 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1004 def set_pdb_file_name(self, file_name):
1005 r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1006 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1008 def set_mol_index(self, index):
1009 r"""set_mol_index(FitParameters self, int index)"""
1010 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1013 r"""show(FitParameters self, _ostream s)"""
1014 return _IMP_saxs.FitParameters_show(self, s)
1015 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1018 _IMP_saxs.FitParameters_swigregister(FitParameters)
1019 class WeightedFitParameters(FitParameters):
1020 r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1022 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1023 __repr__ = _swig_repr
1025 def __init__(self, *args):
1027 __init__(WeightedFitParameters self) -> WeightedFitParameters
1028 __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1029 __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1031 _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1033 def get_weights(self):
1034 r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1035 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1037 def set_weights(self, weights):
1038 r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1039 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1042 r"""show(WeightedFitParameters self, _ostream s)"""
1043 return _IMP_saxs.WeightedFitParameters_show(self, s)
1044 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1047 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1049 r"""Proxy of C++ IMP::saxs::ChiScore class."""
1051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1054 r"""__init__(ChiScore self) -> ChiScore"""
1055 _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1057 def compute_score(self, exp_profile, model_profile, use_offset=False):
1058 r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1059 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1061 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1062 r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1063 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1065 def compute_offset(self, exp_profile, model_profile):
1066 r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1067 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1069 def get_version_info(self):
1070 r"""get_version_info(ChiScore self) -> VersionInfo"""
1071 return _IMP_saxs.ChiScore_get_version_info(self)
1072 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1075 r"""__str__(ChiScore self) -> std::string"""
1076 return _IMP_saxs.ChiScore___str__(self)
1079 r"""__repr__(ChiScore self) -> std::string"""
1080 return _IMP_saxs.ChiScore___repr__(self)
1084 return _object_cast_to_ChiScore(o)
1088 _IMP_saxs.ChiScore_swigregister(ChiScore)
1090 r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1095 r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1096 _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1098 def compute_score(self, *args):
1100 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1101 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1103 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1105 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1106 r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1107 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1109 def compute_offset(self, exp_profile, model_profile):
1110 r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1111 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1113 def get_version_info(self):
1114 r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1115 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1116 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1119 r"""__str__(ChiScoreLog self) -> std::string"""
1120 return _IMP_saxs.ChiScoreLog___str__(self)
1123 r"""__repr__(ChiScoreLog self) -> std::string"""
1124 return _IMP_saxs.ChiScoreLog___repr__(self)
1128 return _object_cast_to_ChiScoreLog(o)
1132 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1134 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1136 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1137 __repr__ = _swig_repr
1139 def __init__(self, *args):
1141 __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1142 __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1144 _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1146 def compute_score(self, *args):
1147 r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1148 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1150 def fit_profile(self, *args):
1151 r"""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"""
1152 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1154 def compute_scale_factor(self, model_profile, offset=0.0):
1155 r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1156 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1158 def compute_offset(self, model_profile):
1159 r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1160 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1162 def resample(self, model_profile, resampled_profile):
1163 r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1164 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1166 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1167 r"""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)"""
1168 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1170 def get_profile(self):
1171 r"""get_profile(ProfileFitterChi self) -> Profile"""
1172 return _IMP_saxs.ProfileFitterChi_get_profile(self)
1173 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1176 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1177 class WeightedProfileFitterChi(ProfileFitterChi):
1178 r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1180 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1181 __repr__ = _swig_repr
1183 def __init__(self, exp_profile):
1184 r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1185 _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1187 def compute_score(self, profiles, use_offset=False, NNLS=True):
1188 r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, bool use_offset=False, bool NNLS=True) -> double"""
1189 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, use_offset, NNLS)
1191 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):
1192 r"""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"""
1193 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1195 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1196 r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1197 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1198 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1201 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1203 r"""Proxy of C++ IMP::saxs::Restraint class."""
1205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1207 def __init__(self, *args):
1209 __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1210 __init__(Restraint self) -> Restraint
1212 _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1214 if self.__class__ != Restraint:
1215 _director_objects.register(self)
1220 def do_get_inputs(self):
1221 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1222 return _IMP_saxs.Restraint_do_get_inputs(self)
1224 def get_version_info(self):
1225 r"""get_version_info(Restraint self) -> VersionInfo"""
1226 return _IMP_saxs.Restraint_get_version_info(self)
1227 __swig_destroy__ = _IMP_saxs.delete_Restraint
1230 r"""__str__(Restraint self) -> std::string"""
1231 return _IMP_saxs.Restraint___str__(self)
1234 r"""__repr__(Restraint self) -> std::string"""
1235 return _IMP_saxs.Restraint___repr__(self)
1239 return _object_cast_to_Restraint(o)
1242 def _get_as_binary(self):
1243 r"""_get_as_binary(Restraint self) -> PyObject *"""
1244 return _IMP_saxs.Restraint__get_as_binary(self)
1246 def _set_from_binary(self, p):
1247 r"""_set_from_binary(Restraint self, PyObject * p)"""
1248 return _IMP_saxs.Restraint__set_from_binary(self, p)
1250 def __getstate__(self):
1251 p = self._get_as_binary()
1252 if len(self.__dict__) > 1:
1253 d = self.__dict__.copy()
1258 def __setstate__(self, p):
1259 if not hasattr(self,
'this'):
1261 if isinstance(p, tuple):
1263 self.__dict__.update(d)
1264 return self._set_from_binary(p)
1268 _IMP_saxs.Restraint_swigregister(Restraint)
1269 class RadiusOfGyrationRestraint(Restraint):
1270 r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1272 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1273 __repr__ = _swig_repr
1275 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1276 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1277 _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1278 __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1281 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1282 class FloatDistribution(DistBase):
1283 r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1285 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1286 __repr__ = _swig_repr
1288 def __init__(self, *args):
1289 r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1290 _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1292 def get_max_distance(self):
1293 r"""get_max_distance(FloatDistribution self) -> double"""
1294 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1296 def get_bin_size(self):
1297 r"""get_bin_size(FloatDistribution self) -> double"""
1298 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1300 def get_index_from_distance(self, dist):
1301 r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1302 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1304 def get_distance_from_index(self, index):
1305 r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1306 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1307 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1310 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1311 class VectorDistribution(object):
1312 r"""Proxy of C++ IMP::saxs::Distribution< IMP::Vector3D > class."""
1314 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1315 __repr__ = _swig_repr
1317 def __init__(self, *args):
1318 r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1319 _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1321 def get_max_distance(self):
1322 r"""get_max_distance(VectorDistribution self) -> double"""
1323 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1325 def get_bin_size(self):
1326 r"""get_bin_size(VectorDistribution self) -> double"""
1327 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1329 def get_index_from_distance(self, dist):
1330 r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1331 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1333 def get_distance_from_index(self, index):
1334 r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1335 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1336 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1339 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1340 class RadialDistributionFunction(FloatDistribution):
1341 r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1344 __repr__ = _swig_repr
1346 def __init__(self, *args):
1348 __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1349 __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1351 _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1353 def get_square_root_distances(self):
1354 r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1355 return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1358 r"""scale(RadialDistributionFunction self, double c)"""
1359 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1361 def add(self, model_pr):
1362 r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1363 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1365 def show(self, *args):
1366 r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1367 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1369 def R_factor_score(self, *args):
1370 r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1371 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1373 def fit(self, *args):
1374 r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1375 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1377 def normalize(self):
1378 r"""normalize(RadialDistributionFunction self)"""
1379 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1381 def add_to_distribution(self, dist, value):
1382 r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1383 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1384 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1387 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1388 class DeltaDistributionFunction(VectorDistribution):
1389 r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1392 __repr__ = _swig_repr
1394 def __init__(self, *args):
1395 r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1396 _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1398 def calculate_derivative_distribution(self, particle):
1399 r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1400 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1402 def show(self, *args):
1403 r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1404 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1405 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1408 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1409 class SolventAccessibleSurface(object):
1410 r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1412 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1413 __repr__ = _swig_repr
1415 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1416 r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1417 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1420 r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1421 _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1422 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1425 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1427 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1429 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1430 __repr__ = _swig_repr
1432 def __init__(self, *args):
1434 __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1435 __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1437 _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1439 def compute_score(self, *args):
1440 r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1441 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1443 def fit_profile(self, *args):
1444 r"""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"""
1445 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1447 def compute_scale_factor(self, model_profile, offset=0.0):
1448 r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1449 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1451 def compute_offset(self, model_profile):
1452 r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1453 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1455 def resample(self, model_profile, resampled_profile):
1456 r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1457 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1459 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1460 r"""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)"""
1461 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1463 def get_profile(self):
1464 r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1465 return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1466 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1469 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1470 class ProfileFitterRatioVolatility(
IMP.Object):
1471 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1474 __repr__ = _swig_repr
1476 def __init__(self, *args):
1478 __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1479 __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1481 _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1483 def compute_score(self, *args):
1484 r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1485 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1487 def fit_profile(self, *args):
1488 r"""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"""
1489 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1491 def compute_scale_factor(self, model_profile, offset=0.0):
1492 r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1493 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1495 def compute_offset(self, model_profile):
1496 r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1497 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1499 def resample(self, model_profile, resampled_profile):
1500 r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1501 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1503 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1504 r"""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)"""
1505 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1507 def get_profile(self):
1508 r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1509 return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1510 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1513 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1516 r"""get_module_name() -> std::string const"""
1517 return _IMP_saxs.get_module_name()
1520 r"""get_module_version() -> std::string const"""
1521 return _IMP_saxs.get_module_version()
1524 r"""get_example_path(std::string fname) -> std::string"""
1525 return _IMP_saxs.get_example_path(fname)
1528 r"""get_data_path(std::string fname) -> std::string"""
1529 return _IMP_saxs.get_data_path(fname)
1531 from .
import _version_check
def get_example_path
Return the full path to one of this module's example files.
Various classes to hold sets of particles.
def get_data_path
Return the full path to one of this module's data files.
Make CGAL functionality available to IMP.
def get_module_version
Return the version of this module, as a string.
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.
def get_module_name
Return the fully-qualified name of this module.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
A restraint is a term in an IMP ScoringFunction.