14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_SAXS_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
77 r"""value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
78 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
81 r"""incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
82 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
86 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
94 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
98 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
101 r"""next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
102 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
105 r"""__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
106 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
109 r"""previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
110 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
114 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
118 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
122 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
126 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
130 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
134 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
139 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
146 _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
153 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
155 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
157 IMP_SILENT = _IMP_saxs.IMP_SILENT
159 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
161 IMP_TERSE = _IMP_saxs.IMP_TERSE
163 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
165 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
167 IMP_NONE = _IMP_saxs.IMP_NONE
169 IMP_USAGE = _IMP_saxs.IMP_USAGE
171 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_saxs.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_saxs.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_saxs.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_saxs.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_saxs._ostream_write(self, osa_buf)
238 _IMP_saxs._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_saxs.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
304 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
306 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
308 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
310 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
312 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
314 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
316 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
318 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
321 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
323 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
325 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
327 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
329 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
331 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
333 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
335 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
337 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
339 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
341 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
345 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
347 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
349 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
352 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
354 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
356 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
358 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
360 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
362 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
364 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
366 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
368 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
370 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
372 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
374 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
376 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
378 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
380 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
383 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
385 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
387 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
389 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
391 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
393 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
395 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
397 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
399 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
401 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
403 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
405 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
407 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
409 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
411 class DistBase(object):
412 r"""Proxy of C++ std::vector< double > class."""
414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
415 __repr__ = _swig_repr
418 r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
419 return _IMP_saxs.DistBase_iterator(self)
421 return self.iterator()
423 def __nonzero__(self):
424 r"""__nonzero__(DistBase self) -> bool"""
425 return _IMP_saxs.DistBase___nonzero__(self)
428 r"""__bool__(DistBase self) -> bool"""
429 return _IMP_saxs.DistBase___bool__(self)
432 r"""__len__(DistBase self) -> std::vector< double >::size_type"""
433 return _IMP_saxs.DistBase___len__(self)
435 def __getslice__(self, i, j):
436 r"""__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
437 return _IMP_saxs.DistBase___getslice__(self, i, j)
439 def __setslice__(self, *args):
441 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
442 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
444 return _IMP_saxs.DistBase___setslice__(self, *args)
446 def __delslice__(self, i, j):
447 r"""__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
448 return _IMP_saxs.DistBase___delslice__(self, i, j)
450 def __delitem__(self, *args):
452 __delitem__(DistBase self, std::vector< double >::difference_type i)
453 __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
455 return _IMP_saxs.DistBase___delitem__(self, *args)
457 def __getitem__(self, *args):
459 __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
460 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
462 return _IMP_saxs.DistBase___getitem__(self, *args)
464 def __setitem__(self, *args):
466 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
467 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
468 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
470 return _IMP_saxs.DistBase___setitem__(self, *args)
473 r"""pop(DistBase self) -> std::vector< double >::value_type"""
474 return _IMP_saxs.DistBase_pop(self)
477 r"""append(DistBase self, std::vector< double >::value_type const & x)"""
478 return _IMP_saxs.DistBase_append(self, x)
481 r"""empty(DistBase self) -> bool"""
482 return _IMP_saxs.DistBase_empty(self)
485 r"""size(DistBase self) -> std::vector< double >::size_type"""
486 return _IMP_saxs.DistBase_size(self)
489 r"""swap(DistBase self, DistBase v)"""
490 return _IMP_saxs.DistBase_swap(self, v)
493 r"""begin(DistBase self) -> std::vector< double >::iterator"""
494 return _IMP_saxs.DistBase_begin(self)
497 r"""end(DistBase self) -> std::vector< double >::iterator"""
498 return _IMP_saxs.DistBase_end(self)
501 r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
502 return _IMP_saxs.DistBase_rbegin(self)
505 r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
506 return _IMP_saxs.DistBase_rend(self)
509 r"""clear(DistBase self)"""
510 return _IMP_saxs.DistBase_clear(self)
512 def get_allocator(self):
513 r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
514 return _IMP_saxs.DistBase_get_allocator(self)
517 r"""pop_back(DistBase self)"""
518 return _IMP_saxs.DistBase_pop_back(self)
520 def erase(self, *args):
522 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
523 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
525 return _IMP_saxs.DistBase_erase(self, *args)
527 def __init__(self, *args):
529 __init__(DistBase self) -> DistBase
530 __init__(DistBase self, DistBase other) -> DistBase
531 __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
532 __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
534 _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
536 def push_back(self, x):
537 r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
538 return _IMP_saxs.DistBase_push_back(self, x)
541 r"""front(DistBase self) -> std::vector< double >::value_type const &"""
542 return _IMP_saxs.DistBase_front(self)
545 r"""back(DistBase self) -> std::vector< double >::value_type const &"""
546 return _IMP_saxs.DistBase_back(self)
548 def assign(self, n, x):
549 r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
550 return _IMP_saxs.DistBase_assign(self, n, x)
552 def resize(self, *args):
554 resize(DistBase self, std::vector< double >::size_type new_size)
555 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
557 return _IMP_saxs.DistBase_resize(self, *args)
559 def insert(self, *args):
561 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
562 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
564 return _IMP_saxs.DistBase_insert(self, *args)
566 def reserve(self, n):
567 r"""reserve(DistBase self, std::vector< double >::size_type n)"""
568 return _IMP_saxs.DistBase_reserve(self, n)
571 r"""capacity(DistBase self) -> std::vector< double >::size_type"""
572 return _IMP_saxs.DistBase_capacity(self)
573 __swig_destroy__ = _IMP_saxs.delete_DistBase
576 _IMP_saxs.DistBase_swigregister(DistBase)
578 _object_types.append(
"Profile")
581 def _object_cast_to_Profile(o):
582 r"""_object_cast_to_Profile(Object o) -> Profile"""
583 return _IMP_saxs._object_cast_to_Profile(o)
585 _object_types.append(
"ChiScore")
588 def _object_cast_to_ChiScore(o):
589 r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
590 return _IMP_saxs._object_cast_to_ChiScore(o)
592 _object_types.append(
"ChiScoreLog")
595 def _object_cast_to_ChiScoreLog(o):
596 r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
597 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
599 _object_types.append(
"Restraint")
601 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
603 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
605 CA_ATOMS = _IMP_saxs.CA_ATOMS
607 RESIDUES = _IMP_saxs.RESIDUES
609 class FormFactorTable(object):
610 r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
613 __repr__ = _swig_repr
615 def __init__(self, *args):
617 __init__(FormFactorTable self) -> FormFactorTable
618 __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
620 _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
622 def get_form_factor(self, *args):
623 r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
624 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
626 def get_vacuum_form_factor(self, *args):
627 r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
628 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
630 def get_dummy_form_factor(self, *args):
631 r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
632 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
634 def get_water_form_factor(self):
635 r"""get_water_form_factor(FormFactorTable self) -> double"""
636 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
638 def get_vacuum_water_form_factor(self):
639 r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
640 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
642 def get_dummy_water_form_factor(self):
643 r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
644 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
646 def get_form_factors(self, *args):
647 r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
648 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
650 def get_vacuum_form_factors(self, *args):
651 r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
652 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
654 def get_dummy_form_factors(self, *args):
655 r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
656 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
658 def get_water_form_factors(self):
659 r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
660 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
662 def get_water_vacuum_form_factors(self):
663 r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
664 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
666 def get_water_dummy_form_factors(self):
667 r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
668 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
670 def get_radius(self, *args):
671 r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
672 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
675 r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
676 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
678 def show(self, *args):
679 r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
680 return _IMP_saxs.FormFactorTable_show(self, *args)
681 rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=
r"""rho_ : double""")
682 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
685 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
686 cvar = _IMP_saxs.cvar
690 r"""get_default_form_factor_table() -> FormFactorTable"""
691 return _IMP_saxs.get_default_form_factor_table()
693 r"""Proxy of C++ IMP::saxs::Profile class."""
695 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
697 def __init__(self, *args):
699 __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
700 __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
702 _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
704 def calculate_profile_partial(self, *args):
706 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
707 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)
709 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
711 def calculate_profile_reciprocal_partial(self, *args):
712 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)"""
713 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
715 def calculate_profile(self, *args):
717 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
718 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
720 return _IMP_saxs.Profile_calculate_profile(self, *args)
722 def calculate_I0(self, *args):
723 r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
724 return _IMP_saxs.Profile_calculate_I0(self, *args)
726 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
727 r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
728 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
730 def calculate_profile_symmetric(self, *args):
731 r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
732 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
734 def profile_2_distribution(self, rd, max_distance):
735 r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
736 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
738 def distribution_2_profile(self, r_dist):
739 r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
740 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
742 def resample(self, exp_profile, resampled_profile):
743 r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
744 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
746 def downsample(self, downsampled_profile, point_number):
747 r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
748 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
751 r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
752 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
754 def mean_intensity(self):
755 r"""mean_intensity(Profile self) -> double"""
756 return _IMP_saxs.Profile_mean_intensity(self)
758 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
759 r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
760 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
762 def write_SAXS_file(self, file_name, max_q=0.0):
763 r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
764 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
766 def read_partial_profiles(self, file_name):
767 r"""read_partial_profiles(Profile self, std::string const & file_name)"""
768 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
770 def write_partial_profiles(self, file_name):
771 r"""write_partial_profiles(Profile self, std::string const & file_name)"""
772 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
774 def get_delta_q(self):
775 r"""get_delta_q(Profile self) -> double"""
776 return _IMP_saxs.Profile_get_delta_q(self)
779 r"""get_min_q(Profile self) -> double"""
780 return _IMP_saxs.Profile_get_min_q(self)
783 r"""get_max_q(Profile self) -> double"""
784 return _IMP_saxs.Profile_get_max_q(self)
786 def get_intensity(self, i):
787 r"""get_intensity(Profile self, unsigned int i) -> double"""
788 return _IMP_saxs.Profile_get_intensity(self, i)
791 r"""get_q(Profile self, unsigned int i) -> double"""
792 return _IMP_saxs.Profile_get_q(self, i)
794 def get_error(self, i):
795 r"""get_error(Profile self, unsigned int i) -> double"""
796 return _IMP_saxs.Profile_get_error(self, i)
798 def get_weight(self, i):
799 r"""get_weight(Profile self, unsigned int i) -> double"""
800 return _IMP_saxs.Profile_get_weight(self, i)
803 r"""get_qs(Profile self) -> Eigen::VectorXd const &"""
804 return _IMP_saxs.Profile_get_qs(self)
806 def get_intensities(self):
807 r"""get_intensities(Profile self) -> Eigen::VectorXd const &"""
808 return _IMP_saxs.Profile_get_intensities(self)
810 def get_errors(self):
811 r"""get_errors(Profile self) -> Eigen::VectorXd const &"""
812 return _IMP_saxs.Profile_get_errors(self)
814 def get_average_radius(self):
815 r"""get_average_radius(Profile self) -> double"""
816 return _IMP_saxs.Profile_get_average_radius(self)
819 r"""size(Profile self) -> unsigned int"""
820 return _IMP_saxs.Profile_size(self)
822 def is_uniform_sampling(self):
823 r"""is_uniform_sampling(Profile self) -> bool"""
824 return _IMP_saxs.Profile_is_uniform_sampling(self)
826 def is_partial_profile(self):
827 r"""is_partial_profile(Profile self) -> bool"""
828 return _IMP_saxs.Profile_is_partial_profile(self)
831 r"""get_name(Profile self) -> std::string"""
832 return _IMP_saxs.Profile_get_name(self)
835 r"""get_id(Profile self) -> unsigned int"""
836 return _IMP_saxs.Profile_get_id(self)
839 r"""set_qs(Profile self, Eigen::VectorXd const & q)"""
840 return _IMP_saxs.Profile_set_qs(self, q)
842 def set_intensities(self, i):
843 r"""set_intensities(Profile self, Eigen::VectorXd const & i)"""
844 return _IMP_saxs.Profile_set_intensities(self, i)
846 def set_errors(self, e):
847 r"""set_errors(Profile self, Eigen::VectorXd const & e)"""
848 return _IMP_saxs.Profile_set_errors(self, e)
850 def set_intensity(self, i, iq):
851 r"""set_intensity(Profile self, unsigned int i, double iq)"""
852 return _IMP_saxs.Profile_set_intensity(self, i, iq)
854 def set_ff_table(self, ff_table):
855 r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
856 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
858 def set_average_radius(self, r):
859 r"""set_average_radius(Profile self, double r)"""
860 return _IMP_saxs.Profile_set_average_radius(self, r)
862 def set_average_volume(self, v):
863 r"""set_average_volume(Profile self, double v)"""
864 return _IMP_saxs.Profile_set_average_volume(self, v)
866 def set_name(self, name):
867 r"""set_name(Profile self, std::string name)"""
868 return _IMP_saxs.Profile_set_name(self, name)
870 def set_id(self, id):
871 r"""set_id(Profile self, unsigned int id)"""
872 return _IMP_saxs.Profile_set_id(self, id)
874 def set_beam_profile(self, beam_profile_file):
875 r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
876 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
878 def add_errors(self):
879 r"""add_errors(Profile self)"""
880 return _IMP_saxs.Profile_add_errors(self)
882 def add_noise(self, percentage=0.03):
883 r"""add_noise(Profile self, double percentage=0.03)"""
884 return _IMP_saxs.Profile_add_noise(self, percentage)
886 def sum_partial_profiles(self, c1, c2, check_cashed=True):
887 r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
888 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
890 def add(self, *args):
892 add(Profile self, Profile other_profile, double weight=1.0)
893 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
895 return _IMP_saxs.Profile_add(self, *args)
897 def add_partial_profiles(self, *args):
899 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
900 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
902 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
904 def background_adjust(self, start_q):
905 r"""background_adjust(Profile self, double start_q)"""
906 return _IMP_saxs.Profile_background_adjust(self, start_q)
909 r"""scale(Profile self, double c)"""
910 return _IMP_saxs.Profile_scale(self, c)
913 r"""offset(Profile self, double c)"""
914 return _IMP_saxs.Profile_offset(self, c)
916 def copy_errors(self, exp_profile):
917 r"""copy_errors(Profile self, Profile exp_profile)"""
918 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
920 def get_version_info(self):
921 r"""get_version_info(Profile self) -> VersionInfo"""
922 return _IMP_saxs.Profile_get_version_info(self)
923 __swig_destroy__ = _IMP_saxs.delete_Profile
926 r"""__str__(Profile self) -> std::string"""
927 return _IMP_saxs.Profile___str__(self)
930 r"""__repr__(Profile self) -> std::string"""
931 return _IMP_saxs.Profile___repr__(self)
935 return _object_cast_to_Profile(o)
938 def _get_as_binary(self):
939 r"""_get_as_binary(Profile self) -> PyObject *"""
940 return _IMP_saxs.Profile__get_as_binary(self)
942 def _set_from_binary(self, p):
943 r"""_set_from_binary(Profile self, PyObject * p)"""
944 return _IMP_saxs.Profile__set_from_binary(self, p)
946 def __getstate__(self):
947 p = self._get_as_binary()
948 if len(self.__dict__) > 1:
949 d = self.__dict__.copy()
954 def __setstate__(self, p):
955 if not hasattr(self,
'this'):
957 if isinstance(p, tuple):
959 self.__dict__.update(d)
960 return self._set_from_binary(p)
964 _IMP_saxs.Profile_swigregister(Profile)
965 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
967 class FitParameters(object):
968 r"""Proxy of C++ IMP::saxs::FitParameters class."""
970 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
971 __repr__ = _swig_repr
973 def __init__(self, *args):
975 __init__(FitParameters self) -> FitParameters
976 __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
977 __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
979 _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
982 r"""get_score(FitParameters self) -> double"""
983 return _IMP_saxs.FitParameters_get_score(self)
985 def get_chi_square(self):
986 r"""get_chi_square(FitParameters self) -> double"""
987 return _IMP_saxs.FitParameters_get_chi_square(self)
990 r"""get_c1(FitParameters self) -> double"""
991 return _IMP_saxs.FitParameters_get_c1(self)
994 r"""get_c2(FitParameters self) -> double"""
995 return _IMP_saxs.FitParameters_get_c2(self)
998 r"""get_scale(FitParameters self) -> double"""
999 return _IMP_saxs.FitParameters_get_scale(self)
1001 def get_offset(self):
1002 r"""get_offset(FitParameters self) -> double"""
1003 return _IMP_saxs.FitParameters_get_offset(self)
1005 def get_default_chi_square(self):
1006 r"""get_default_chi_square(FitParameters self) -> double"""
1007 return _IMP_saxs.FitParameters_get_default_chi_square(self)
1009 def get_pdb_file_name(self):
1010 r"""get_pdb_file_name(FitParameters self) -> std::string"""
1011 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1013 def get_profile_file_name(self):
1014 r"""get_profile_file_name(FitParameters self) -> std::string"""
1015 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1017 def get_mol_index(self):
1018 r"""get_mol_index(FitParameters self) -> int"""
1019 return _IMP_saxs.FitParameters_get_mol_index(self)
1021 def set_score(self, score):
1022 r"""set_score(FitParameters self, double score)"""
1023 return _IMP_saxs.FitParameters_set_score(self, score)
1025 def set_chi_square(self, chi_square):
1026 r"""set_chi_square(FitParameters self, double chi_square)"""
1027 return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1029 def set_default_chi_square(self, chi_square):
1030 r"""set_default_chi_square(FitParameters self, double chi_square)"""
1031 return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1033 def set_profile_file_name(self, file_name):
1034 r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1035 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1037 def set_pdb_file_name(self, file_name):
1038 r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1039 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1041 def set_mol_index(self, index):
1042 r"""set_mol_index(FitParameters self, int index)"""
1043 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1046 r"""show(FitParameters self, _ostream s)"""
1047 return _IMP_saxs.FitParameters_show(self, s)
1048 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1051 _IMP_saxs.FitParameters_swigregister(FitParameters)
1052 class WeightedFitParameters(FitParameters):
1053 r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1056 __repr__ = _swig_repr
1058 def __init__(self, *args):
1060 __init__(WeightedFitParameters self) -> WeightedFitParameters
1061 __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1062 __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1064 _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1066 def get_weights(self):
1067 r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1068 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1070 def set_weights(self, weights):
1071 r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1072 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1075 r"""show(WeightedFitParameters self, _ostream s)"""
1076 return _IMP_saxs.WeightedFitParameters_show(self, s)
1077 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1080 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1082 r"""Proxy of C++ IMP::saxs::ChiScore class."""
1084 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1087 r"""__init__(ChiScore self) -> ChiScore"""
1088 _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1090 def compute_score(self, exp_profile, model_profile, use_offset=False):
1091 r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1092 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1094 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1095 r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1096 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1098 def compute_offset(self, exp_profile, model_profile):
1099 r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1100 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1102 def get_version_info(self):
1103 r"""get_version_info(ChiScore self) -> VersionInfo"""
1104 return _IMP_saxs.ChiScore_get_version_info(self)
1105 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1108 r"""__str__(ChiScore self) -> std::string"""
1109 return _IMP_saxs.ChiScore___str__(self)
1112 r"""__repr__(ChiScore self) -> std::string"""
1113 return _IMP_saxs.ChiScore___repr__(self)
1117 return _object_cast_to_ChiScore(o)
1121 _IMP_saxs.ChiScore_swigregister(ChiScore)
1123 r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1125 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1128 r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1129 _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1131 def compute_score(self, *args):
1133 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1134 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1136 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1138 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1139 r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1140 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1142 def compute_offset(self, exp_profile, model_profile):
1143 r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1144 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1146 def get_version_info(self):
1147 r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1148 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1149 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1152 r"""__str__(ChiScoreLog self) -> std::string"""
1153 return _IMP_saxs.ChiScoreLog___str__(self)
1156 r"""__repr__(ChiScoreLog self) -> std::string"""
1157 return _IMP_saxs.ChiScoreLog___repr__(self)
1161 return _object_cast_to_ChiScoreLog(o)
1165 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1167 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1169 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1170 __repr__ = _swig_repr
1172 def __init__(self, *args):
1174 __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1175 __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1177 _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1179 def compute_score(self, *args):
1180 r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1181 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1183 def fit_profile(self, *args):
1184 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"""
1185 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1187 def compute_scale_factor(self, model_profile, offset=0.0):
1188 r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1189 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1191 def compute_offset(self, model_profile):
1192 r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1193 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1195 def resample(self, model_profile, resampled_profile):
1196 r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1197 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1199 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1200 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)"""
1201 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1203 def get_profile(self):
1204 r"""get_profile(ProfileFitterChi self) -> Profile"""
1205 return _IMP_saxs.ProfileFitterChi_get_profile(self)
1206 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1209 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1210 class WeightedProfileFitterChi(ProfileFitterChi):
1211 r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1214 __repr__ = _swig_repr
1216 def __init__(self, exp_profile):
1217 r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1218 _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1220 def compute_score(self, profiles, use_offset=False, NNLS=True):
1221 r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, bool use_offset=False, bool NNLS=True) -> double"""
1222 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, use_offset, NNLS)
1224 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):
1225 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"""
1226 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1228 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1229 r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1230 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1231 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1234 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1236 r"""Proxy of C++ IMP::saxs::Restraint class."""
1238 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1240 def __init__(self, *args):
1242 __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1243 __init__(Restraint self) -> Restraint
1245 _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1247 if self.__class__ != Restraint:
1248 _director_objects.register(self)
1253 def do_get_inputs(self):
1254 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1255 return _IMP_saxs.Restraint_do_get_inputs(self)
1257 def get_version_info(self):
1258 r"""get_version_info(Restraint self) -> VersionInfo"""
1259 return _IMP_saxs.Restraint_get_version_info(self)
1260 __swig_destroy__ = _IMP_saxs.delete_Restraint
1263 r"""__str__(Restraint self) -> std::string"""
1264 return _IMP_saxs.Restraint___str__(self)
1267 r"""__repr__(Restraint self) -> std::string"""
1268 return _IMP_saxs.Restraint___repr__(self)
1272 return _object_cast_to_Restraint(o)
1275 def _get_as_binary(self):
1276 r"""_get_as_binary(Restraint self) -> PyObject *"""
1277 return _IMP_saxs.Restraint__get_as_binary(self)
1279 def _set_from_binary(self, p):
1280 r"""_set_from_binary(Restraint self, PyObject * p)"""
1281 return _IMP_saxs.Restraint__set_from_binary(self, p)
1283 def __getstate__(self):
1284 p = self._get_as_binary()
1285 if len(self.__dict__) > 1:
1286 d = self.__dict__.copy()
1291 def __setstate__(self, p):
1292 if not hasattr(self,
'this'):
1294 if isinstance(p, tuple):
1296 self.__dict__.update(d)
1297 return self._set_from_binary(p)
1301 _IMP_saxs.Restraint_swigregister(Restraint)
1302 class RadiusOfGyrationRestraint(Restraint):
1303 r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1305 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1306 __repr__ = _swig_repr
1308 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1309 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1310 _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1311 __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1314 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1315 class FloatDistribution(DistBase):
1316 r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1319 __repr__ = _swig_repr
1321 def __init__(self, *args):
1322 r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1323 _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1325 def get_max_distance(self):
1326 r"""get_max_distance(FloatDistribution self) -> double"""
1327 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1329 def get_bin_size(self):
1330 r"""get_bin_size(FloatDistribution self) -> double"""
1331 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1333 def get_index_from_distance(self, dist):
1334 r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1335 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1337 def get_distance_from_index(self, index):
1338 r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1339 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1340 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1343 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1344 class VectorDistribution(object):
1345 r"""Proxy of C++ IMP::saxs::Distribution< IMP::algebra::Vector3D > class."""
1347 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1348 __repr__ = _swig_repr
1350 def __init__(self, *args):
1351 r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1352 _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1354 def get_max_distance(self):
1355 r"""get_max_distance(VectorDistribution self) -> double"""
1356 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1358 def get_bin_size(self):
1359 r"""get_bin_size(VectorDistribution self) -> double"""
1360 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1362 def get_index_from_distance(self, dist):
1363 r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1364 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1366 def get_distance_from_index(self, index):
1367 r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1368 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1369 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1372 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1373 class RadialDistributionFunction(FloatDistribution):
1374 r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1376 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1377 __repr__ = _swig_repr
1379 def __init__(self, *args):
1381 __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1382 __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1384 _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1386 def get_square_root_distances(self):
1387 r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1388 return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1391 r"""scale(RadialDistributionFunction self, double c)"""
1392 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1394 def add(self, model_pr):
1395 r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1396 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1398 def show(self, *args):
1399 r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1400 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1402 def R_factor_score(self, *args):
1403 r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1404 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1406 def fit(self, *args):
1407 r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1408 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1410 def normalize(self):
1411 r"""normalize(RadialDistributionFunction self)"""
1412 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1414 def add_to_distribution(self, dist, value):
1415 r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1416 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1417 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1420 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1421 class DeltaDistributionFunction(VectorDistribution):
1422 r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1425 __repr__ = _swig_repr
1427 def __init__(self, *args):
1428 r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1429 _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1431 def calculate_derivative_distribution(self, particle):
1432 r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1433 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1435 def show(self, *args):
1436 r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1437 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1438 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1441 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1442 class SolventAccessibleSurface(object):
1443 r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1446 __repr__ = _swig_repr
1448 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1449 r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1450 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1453 r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1454 _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1455 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1458 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1460 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1462 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1463 __repr__ = _swig_repr
1465 def __init__(self, *args):
1467 __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1468 __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1470 _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1472 def compute_score(self, *args):
1473 r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1474 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1476 def fit_profile(self, *args):
1477 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"""
1478 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1480 def compute_scale_factor(self, model_profile, offset=0.0):
1481 r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1482 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1484 def compute_offset(self, model_profile):
1485 r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1486 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1488 def resample(self, model_profile, resampled_profile):
1489 r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1490 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1492 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1493 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)"""
1494 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1496 def get_profile(self):
1497 r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1498 return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1499 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1502 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1503 class ProfileFitterRatioVolatility(
IMP.Object):
1504 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1507 __repr__ = _swig_repr
1509 def __init__(self, *args):
1511 __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1512 __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1514 _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1516 def compute_score(self, *args):
1517 r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1518 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1520 def fit_profile(self, *args):
1521 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"""
1522 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1524 def compute_scale_factor(self, model_profile, offset=0.0):
1525 r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1526 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1528 def compute_offset(self, model_profile):
1529 r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1530 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1532 def resample(self, model_profile, resampled_profile):
1533 r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1534 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1536 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1537 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)"""
1538 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1540 def get_profile(self):
1541 r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1542 return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1543 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1546 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1549 r"""get_module_name() -> std::string const"""
1550 return _IMP_saxs.get_module_name()
1553 r"""get_module_version() -> std::string const"""
1554 return _IMP_saxs.get_module_version()
1557 r"""get_example_path(std::string fname) -> std::string"""
1558 return _IMP_saxs.get_example_path(fname)
1561 r"""get_data_path(std::string fname) -> std::string"""
1562 return _IMP_saxs.get_data_path(fname)
1564 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.