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_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
197 class _DirectorObjects:
198 """@internal Simple class to keep references to director objects
199 to prevent premature deletion."""
202 def register(self, obj):
203 """Take a reference to a director object; will only work for
204 refcounted C++ classes"""
205 if hasattr(obj,
'get_ref_count'):
206 self._objects.append(obj)
208 """Only drop our reference and allow cleanup by Python if no other
209 Python references exist (we hold 3 references: one in self._objects,
210 one in x, and one in the argument list for getrefcount) *and* no
211 other C++ references exist (the Python object always holds one)"""
212 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
213 or x.get_ref_count() > 1]
217 def get_object_count(self):
218 """Get number of director objects (useful for testing only)"""
219 return len(self._objects)
220 _director_objects = _DirectorObjects()
222 class _ostream(object):
223 r"""Proxy of C++ std::ostream class."""
225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
227 def __init__(self, *args, **kwargs):
228 raise AttributeError(
"No constructor defined")
229 __repr__ = _swig_repr
231 def write(self, osa_buf):
232 r"""write(_ostream self, char const * osa_buf)"""
233 return _IMP_saxs._ostream_write(self, osa_buf)
236 _IMP_saxs._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
240 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
242 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
244 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
246 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
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_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
263 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
265 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
267 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
269 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
272 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
274 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
276 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
278 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
280 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
282 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
284 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
286 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
289 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
291 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
293 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
295 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
297 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
299 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
301 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
303 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
305 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
308 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
310 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
312 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
314 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
316 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
318 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
320 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
322 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
324 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
326 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
329 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
331 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
333 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
335 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
337 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
339 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
341 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
343 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
345 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
347 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
349 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
351 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
353 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
355 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
357 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
359 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
362 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
364 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
366 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
368 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
370 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
372 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
374 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
376 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
378 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
380 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
382 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
384 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
386 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
388 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
390 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
392 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
395 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
397 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
399 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
401 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
403 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
405 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
407 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
409 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
411 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
413 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
415 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
417 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
419 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
421 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
423 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
425 class DistBase(object):
426 r"""Proxy of C++ std::vector< double > class."""
428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
429 __repr__ = _swig_repr
432 r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
433 return _IMP_saxs.DistBase_iterator(self)
435 return self.iterator()
437 def __nonzero__(self):
438 r"""__nonzero__(DistBase self) -> bool"""
439 return _IMP_saxs.DistBase___nonzero__(self)
442 r"""__bool__(DistBase self) -> bool"""
443 return _IMP_saxs.DistBase___bool__(self)
446 r"""__len__(DistBase self) -> std::vector< double >::size_type"""
447 return _IMP_saxs.DistBase___len__(self)
449 def __getslice__(self, i, j):
450 r"""__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
451 return _IMP_saxs.DistBase___getslice__(self, i, j)
453 def __setslice__(self, *args):
455 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
456 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
458 return _IMP_saxs.DistBase___setslice__(self, *args)
460 def __delslice__(self, i, j):
461 r"""__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
462 return _IMP_saxs.DistBase___delslice__(self, i, j)
464 def __delitem__(self, *args):
466 __delitem__(DistBase self, std::vector< double >::difference_type i)
467 __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
469 return _IMP_saxs.DistBase___delitem__(self, *args)
471 def __getitem__(self, *args):
473 __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
474 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
476 return _IMP_saxs.DistBase___getitem__(self, *args)
478 def __setitem__(self, *args):
480 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
481 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
482 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
484 return _IMP_saxs.DistBase___setitem__(self, *args)
487 r"""pop(DistBase self) -> std::vector< double >::value_type"""
488 return _IMP_saxs.DistBase_pop(self)
491 r"""append(DistBase self, std::vector< double >::value_type const & x)"""
492 return _IMP_saxs.DistBase_append(self, x)
495 r"""empty(DistBase self) -> bool"""
496 return _IMP_saxs.DistBase_empty(self)
499 r"""size(DistBase self) -> std::vector< double >::size_type"""
500 return _IMP_saxs.DistBase_size(self)
503 r"""swap(DistBase self, DistBase v)"""
504 return _IMP_saxs.DistBase_swap(self, v)
507 r"""begin(DistBase self) -> std::vector< double >::iterator"""
508 return _IMP_saxs.DistBase_begin(self)
511 r"""end(DistBase self) -> std::vector< double >::iterator"""
512 return _IMP_saxs.DistBase_end(self)
515 r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
516 return _IMP_saxs.DistBase_rbegin(self)
519 r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
520 return _IMP_saxs.DistBase_rend(self)
523 r"""clear(DistBase self)"""
524 return _IMP_saxs.DistBase_clear(self)
526 def get_allocator(self):
527 r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
528 return _IMP_saxs.DistBase_get_allocator(self)
531 r"""pop_back(DistBase self)"""
532 return _IMP_saxs.DistBase_pop_back(self)
534 def erase(self, *args):
536 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
537 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
539 return _IMP_saxs.DistBase_erase(self, *args)
541 def __init__(self, *args):
543 __init__(DistBase self) -> DistBase
544 __init__(DistBase self, DistBase other) -> DistBase
545 __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
546 __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
548 _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
550 def push_back(self, x):
551 r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
552 return _IMP_saxs.DistBase_push_back(self, x)
555 r"""front(DistBase self) -> std::vector< double >::value_type const &"""
556 return _IMP_saxs.DistBase_front(self)
559 r"""back(DistBase self) -> std::vector< double >::value_type const &"""
560 return _IMP_saxs.DistBase_back(self)
562 def assign(self, n, x):
563 r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
564 return _IMP_saxs.DistBase_assign(self, n, x)
566 def resize(self, *args):
568 resize(DistBase self, std::vector< double >::size_type new_size)
569 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
571 return _IMP_saxs.DistBase_resize(self, *args)
573 def insert(self, *args):
575 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
576 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
578 return _IMP_saxs.DistBase_insert(self, *args)
580 def reserve(self, n):
581 r"""reserve(DistBase self, std::vector< double >::size_type n)"""
582 return _IMP_saxs.DistBase_reserve(self, n)
585 r"""capacity(DistBase self) -> std::vector< double >::size_type"""
586 return _IMP_saxs.DistBase_capacity(self)
587 __swig_destroy__ = _IMP_saxs.delete_DistBase
590 _IMP_saxs.DistBase_swigregister(DistBase)
592 _object_types.append(
"Profile")
595 def _object_cast_to_Profile(o):
596 r"""_object_cast_to_Profile(Object o) -> Profile"""
597 return _IMP_saxs._object_cast_to_Profile(o)
599 _object_types.append(
"ChiScore")
602 def _object_cast_to_ChiScore(o):
603 r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
604 return _IMP_saxs._object_cast_to_ChiScore(o)
606 _object_types.append(
"ChiScoreLog")
609 def _object_cast_to_ChiScoreLog(o):
610 r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
611 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
613 _object_types.append(
"Restraint")
615 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
617 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
619 CA_ATOMS = _IMP_saxs.CA_ATOMS
621 RESIDUES = _IMP_saxs.RESIDUES
623 class FormFactorTable(object):
624 r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
626 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
627 __repr__ = _swig_repr
629 def __init__(self, *args):
631 __init__(FormFactorTable self) -> FormFactorTable
632 __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
634 _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
636 def get_form_factor(self, *args):
637 r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
638 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
640 def get_vacuum_form_factor(self, *args):
641 r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
642 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
644 def get_dummy_form_factor(self, *args):
645 r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
646 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
648 def get_water_form_factor(self):
649 r"""get_water_form_factor(FormFactorTable self) -> double"""
650 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
652 def get_vacuum_water_form_factor(self):
653 r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
654 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
656 def get_dummy_water_form_factor(self):
657 r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
658 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
660 def get_form_factors(self, *args):
661 r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
662 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
664 def get_vacuum_form_factors(self, *args):
665 r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
666 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
668 def get_dummy_form_factors(self, *args):
669 r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
670 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
672 def get_water_form_factors(self):
673 r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
674 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
676 def get_water_vacuum_form_factors(self):
677 r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
678 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
680 def get_water_dummy_form_factors(self):
681 r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
682 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
684 def get_radius(self, *args):
685 r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
686 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
689 r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
690 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
692 def show(self, *args):
693 r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
694 return _IMP_saxs.FormFactorTable_show(self, *args)
695 rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=
r"""rho_ : double""")
696 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
699 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
700 cvar = _IMP_saxs.cvar
704 r"""get_default_form_factor_table() -> FormFactorTable"""
705 return _IMP_saxs.get_default_form_factor_table()
707 r"""Proxy of C++ IMP::saxs::Profile class."""
709 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
711 def __init__(self, *args):
713 __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
714 __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
716 _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
718 def calculate_profile_partial(self, *args):
720 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
721 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)
723 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
725 def calculate_profile_reciprocal_partial(self, *args):
726 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)"""
727 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
729 def calculate_profile(self, *args):
731 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
732 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
734 return _IMP_saxs.Profile_calculate_profile(self, *args)
736 def calculate_I0(self, *args):
737 r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
738 return _IMP_saxs.Profile_calculate_I0(self, *args)
740 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
741 r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
742 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
744 def calculate_profile_symmetric(self, *args):
745 r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
746 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
748 def profile_2_distribution(self, rd, max_distance):
749 r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
750 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
752 def distribution_2_profile(self, r_dist):
753 r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
754 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
756 def resample(self, exp_profile, resampled_profile):
757 r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
758 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
760 def downsample(self, downsampled_profile, point_number):
761 r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
762 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
765 r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
766 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
768 def mean_intensity(self):
769 r"""mean_intensity(Profile self) -> double"""
770 return _IMP_saxs.Profile_mean_intensity(self)
772 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
773 r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
774 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
776 def write_SAXS_file(self, file_name, max_q=0.0):
777 r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
778 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
780 def read_partial_profiles(self, file_name):
781 r"""read_partial_profiles(Profile self, std::string const & file_name)"""
782 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
784 def write_partial_profiles(self, file_name):
785 r"""write_partial_profiles(Profile self, std::string const & file_name)"""
786 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
788 def get_delta_q(self):
789 r"""get_delta_q(Profile self) -> double"""
790 return _IMP_saxs.Profile_get_delta_q(self)
793 r"""get_min_q(Profile self) -> double"""
794 return _IMP_saxs.Profile_get_min_q(self)
797 r"""get_max_q(Profile self) -> double"""
798 return _IMP_saxs.Profile_get_max_q(self)
800 def get_intensity(self, i):
801 r"""get_intensity(Profile self, unsigned int i) -> double"""
802 return _IMP_saxs.Profile_get_intensity(self, i)
805 r"""get_q(Profile self, unsigned int i) -> double"""
806 return _IMP_saxs.Profile_get_q(self, i)
808 def get_error(self, i):
809 r"""get_error(Profile self, unsigned int i) -> double"""
810 return _IMP_saxs.Profile_get_error(self, i)
812 def get_weight(self, i):
813 r"""get_weight(Profile self, unsigned int i) -> double"""
814 return _IMP_saxs.Profile_get_weight(self, i)
817 r"""get_qs(Profile self) -> Eigen::VectorXf const &"""
818 return _IMP_saxs.Profile_get_qs(self)
820 def get_intensities(self):
821 r"""get_intensities(Profile self) -> Eigen::VectorXf const &"""
822 return _IMP_saxs.Profile_get_intensities(self)
824 def get_errors(self):
825 r"""get_errors(Profile self) -> Eigen::VectorXf const &"""
826 return _IMP_saxs.Profile_get_errors(self)
828 def get_average_radius(self):
829 r"""get_average_radius(Profile self) -> double"""
830 return _IMP_saxs.Profile_get_average_radius(self)
833 r"""size(Profile self) -> unsigned int"""
834 return _IMP_saxs.Profile_size(self)
836 def is_uniform_sampling(self):
837 r"""is_uniform_sampling(Profile self) -> bool"""
838 return _IMP_saxs.Profile_is_uniform_sampling(self)
840 def is_partial_profile(self):
841 r"""is_partial_profile(Profile self) -> bool"""
842 return _IMP_saxs.Profile_is_partial_profile(self)
845 r"""get_name(Profile self) -> std::string"""
846 return _IMP_saxs.Profile_get_name(self)
849 r"""get_id(Profile self) -> unsigned int"""
850 return _IMP_saxs.Profile_get_id(self)
853 r"""set_qs(Profile self, Eigen::VectorXf const & q)"""
854 return _IMP_saxs.Profile_set_qs(self, q)
856 def set_intensities(self, i):
857 r"""set_intensities(Profile self, Eigen::VectorXf const & i)"""
858 return _IMP_saxs.Profile_set_intensities(self, i)
860 def set_errors(self, e):
861 r"""set_errors(Profile self, Eigen::VectorXf const & e)"""
862 return _IMP_saxs.Profile_set_errors(self, e)
864 def set_intensity(self, i, iq):
865 r"""set_intensity(Profile self, unsigned int i, double iq)"""
866 return _IMP_saxs.Profile_set_intensity(self, i, iq)
868 def set_ff_table(self, ff_table):
869 r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
870 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
872 def set_average_radius(self, r):
873 r"""set_average_radius(Profile self, double r)"""
874 return _IMP_saxs.Profile_set_average_radius(self, r)
876 def set_average_volume(self, v):
877 r"""set_average_volume(Profile self, double v)"""
878 return _IMP_saxs.Profile_set_average_volume(self, v)
880 def set_name(self, name):
881 r"""set_name(Profile self, std::string name)"""
882 return _IMP_saxs.Profile_set_name(self, name)
884 def set_id(self, id):
885 r"""set_id(Profile self, unsigned int id)"""
886 return _IMP_saxs.Profile_set_id(self, id)
888 def set_beam_profile(self, beam_profile_file):
889 r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
890 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
892 def add_errors(self):
893 r"""add_errors(Profile self)"""
894 return _IMP_saxs.Profile_add_errors(self)
896 def add_noise(self, percentage=0.03):
897 r"""add_noise(Profile self, double percentage=0.03)"""
898 return _IMP_saxs.Profile_add_noise(self, percentage)
900 def sum_partial_profiles(self, c1, c2, check_cashed=True):
901 r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
902 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
904 def add(self, *args):
906 add(Profile self, Profile other_profile, double weight=1.0)
907 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
909 return _IMP_saxs.Profile_add(self, *args)
911 def add_partial_profiles(self, *args):
913 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
914 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
916 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
918 def background_adjust(self, start_q):
919 r"""background_adjust(Profile self, double start_q)"""
920 return _IMP_saxs.Profile_background_adjust(self, start_q)
923 r"""scale(Profile self, double c)"""
924 return _IMP_saxs.Profile_scale(self, c)
927 r"""offset(Profile self, double c)"""
928 return _IMP_saxs.Profile_offset(self, c)
930 def copy_errors(self, exp_profile):
931 r"""copy_errors(Profile self, Profile exp_profile)"""
932 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
934 def get_version_info(self):
935 r"""get_version_info(Profile self) -> VersionInfo"""
936 return _IMP_saxs.Profile_get_version_info(self)
937 __swig_destroy__ = _IMP_saxs.delete_Profile
940 r"""__str__(Profile self) -> std::string"""
941 return _IMP_saxs.Profile___str__(self)
944 r"""__repr__(Profile self) -> std::string"""
945 return _IMP_saxs.Profile___repr__(self)
949 return _object_cast_to_Profile(o)
952 def _get_as_binary(self):
953 r"""_get_as_binary(Profile self) -> PyObject *"""
954 return _IMP_saxs.Profile__get_as_binary(self)
956 def _set_from_binary(self, p):
957 r"""_set_from_binary(Profile self, PyObject * p)"""
958 return _IMP_saxs.Profile__set_from_binary(self, p)
960 def __getstate__(self):
961 p = self._get_as_binary()
962 if len(self.__dict__) > 1:
963 d = self.__dict__.copy()
968 def __setstate__(self, p):
969 if not hasattr(self,
'this'):
971 if isinstance(p, tuple):
973 self.__dict__.update(d)
974 return self._set_from_binary(p)
978 _IMP_saxs.Profile_swigregister(Profile)
979 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
981 class FitParameters(object):
982 r"""Proxy of C++ IMP::saxs::FitParameters class."""
984 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
985 __repr__ = _swig_repr
987 def __init__(self, *args):
989 __init__(FitParameters self) -> FitParameters
990 __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
991 __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
993 _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
996 r"""get_score(FitParameters self) -> double"""
997 return _IMP_saxs.FitParameters_get_score(self)
999 def get_chi_square(self):
1000 r"""get_chi_square(FitParameters self) -> double"""
1001 return _IMP_saxs.FitParameters_get_chi_square(self)
1004 r"""get_c1(FitParameters self) -> double"""
1005 return _IMP_saxs.FitParameters_get_c1(self)
1008 r"""get_c2(FitParameters self) -> double"""
1009 return _IMP_saxs.FitParameters_get_c2(self)
1011 def get_scale(self):
1012 r"""get_scale(FitParameters self) -> double"""
1013 return _IMP_saxs.FitParameters_get_scale(self)
1015 def get_offset(self):
1016 r"""get_offset(FitParameters self) -> double"""
1017 return _IMP_saxs.FitParameters_get_offset(self)
1019 def get_default_chi_square(self):
1020 r"""get_default_chi_square(FitParameters self) -> double"""
1021 return _IMP_saxs.FitParameters_get_default_chi_square(self)
1023 def get_pdb_file_name(self):
1024 r"""get_pdb_file_name(FitParameters self) -> std::string"""
1025 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1027 def get_profile_file_name(self):
1028 r"""get_profile_file_name(FitParameters self) -> std::string"""
1029 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1031 def get_mol_index(self):
1032 r"""get_mol_index(FitParameters self) -> int"""
1033 return _IMP_saxs.FitParameters_get_mol_index(self)
1035 def set_score(self, score):
1036 r"""set_score(FitParameters self, double score)"""
1037 return _IMP_saxs.FitParameters_set_score(self, score)
1039 def set_chi_square(self, chi_square):
1040 r"""set_chi_square(FitParameters self, double chi_square)"""
1041 return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1043 def set_default_chi_square(self, chi_square):
1044 r"""set_default_chi_square(FitParameters self, double chi_square)"""
1045 return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1047 def set_profile_file_name(self, file_name):
1048 r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1049 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1051 def set_pdb_file_name(self, file_name):
1052 r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1053 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1055 def set_mol_index(self, index):
1056 r"""set_mol_index(FitParameters self, int index)"""
1057 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1060 r"""show(FitParameters self, _ostream s)"""
1061 return _IMP_saxs.FitParameters_show(self, s)
1062 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1065 _IMP_saxs.FitParameters_swigregister(FitParameters)
1066 class WeightedFitParameters(FitParameters):
1067 r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1070 __repr__ = _swig_repr
1072 def __init__(self, *args):
1074 __init__(WeightedFitParameters self) -> WeightedFitParameters
1075 __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1076 __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1078 _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1080 def get_weights(self):
1081 r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1082 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1084 def set_weights(self, weights):
1085 r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1086 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1089 r"""show(WeightedFitParameters self, _ostream s)"""
1090 return _IMP_saxs.WeightedFitParameters_show(self, s)
1091 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1094 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1096 r"""Proxy of C++ IMP::saxs::ChiScore class."""
1098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1101 r"""__init__(ChiScore self) -> ChiScore"""
1102 _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1104 def compute_score(self, exp_profile, model_profile, use_offset=False):
1105 r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1106 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1108 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1109 r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1110 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1112 def compute_offset(self, exp_profile, model_profile):
1113 r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1114 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1116 def get_version_info(self):
1117 r"""get_version_info(ChiScore self) -> VersionInfo"""
1118 return _IMP_saxs.ChiScore_get_version_info(self)
1119 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1122 r"""__str__(ChiScore self) -> std::string"""
1123 return _IMP_saxs.ChiScore___str__(self)
1126 r"""__repr__(ChiScore self) -> std::string"""
1127 return _IMP_saxs.ChiScore___repr__(self)
1131 return _object_cast_to_ChiScore(o)
1135 _IMP_saxs.ChiScore_swigregister(ChiScore)
1137 r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1142 r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1143 _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1145 def compute_score(self, *args):
1147 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1148 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1150 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1152 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1153 r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1154 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1156 def compute_offset(self, exp_profile, model_profile):
1157 r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1158 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1160 def get_version_info(self):
1161 r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1162 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1163 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1166 r"""__str__(ChiScoreLog self) -> std::string"""
1167 return _IMP_saxs.ChiScoreLog___str__(self)
1170 r"""__repr__(ChiScoreLog self) -> std::string"""
1171 return _IMP_saxs.ChiScoreLog___repr__(self)
1175 return _object_cast_to_ChiScoreLog(o)
1179 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1181 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1183 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1184 __repr__ = _swig_repr
1186 def __init__(self, *args):
1188 __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1189 __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1191 _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1193 def compute_score(self, *args):
1194 r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1195 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1197 def fit_profile(self, *args):
1198 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"""
1199 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1201 def compute_scale_factor(self, model_profile, offset=0.0):
1202 r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1203 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1205 def compute_offset(self, model_profile):
1206 r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1207 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1209 def resample(self, model_profile, resampled_profile):
1210 r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1211 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1213 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1214 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)"""
1215 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1217 def get_profile(self):
1218 r"""get_profile(ProfileFitterChi self) -> Profile"""
1219 return _IMP_saxs.ProfileFitterChi_get_profile(self)
1220 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1223 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1224 class WeightedProfileFitterChi(ProfileFitterChi):
1225 r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1228 __repr__ = _swig_repr
1230 def __init__(self, exp_profile):
1231 r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1232 _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1234 def compute_score(self, profiles, use_offset=False, NNLS=True):
1235 r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, bool use_offset=False, bool NNLS=True) -> double"""
1236 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, use_offset, NNLS)
1238 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):
1239 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"""
1240 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1242 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1243 r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1244 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1245 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1248 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1250 r"""Proxy of C++ IMP::saxs::Restraint class."""
1252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1254 def __init__(self, *args):
1256 __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1257 __init__(Restraint self) -> Restraint
1259 _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1261 if self.__class__ != Restraint:
1262 _director_objects.register(self)
1267 def do_get_inputs(self):
1268 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1269 return _IMP_saxs.Restraint_do_get_inputs(self)
1271 def get_version_info(self):
1272 r"""get_version_info(Restraint self) -> VersionInfo"""
1273 return _IMP_saxs.Restraint_get_version_info(self)
1274 __swig_destroy__ = _IMP_saxs.delete_Restraint
1277 r"""__str__(Restraint self) -> std::string"""
1278 return _IMP_saxs.Restraint___str__(self)
1281 r"""__repr__(Restraint self) -> std::string"""
1282 return _IMP_saxs.Restraint___repr__(self)
1286 return _object_cast_to_Restraint(o)
1289 def _get_as_binary(self):
1290 r"""_get_as_binary(Restraint self) -> PyObject *"""
1291 return _IMP_saxs.Restraint__get_as_binary(self)
1293 def _set_from_binary(self, p):
1294 r"""_set_from_binary(Restraint self, PyObject * p)"""
1295 return _IMP_saxs.Restraint__set_from_binary(self, p)
1297 def __getstate__(self):
1298 p = self._get_as_binary()
1299 if len(self.__dict__) > 1:
1300 d = self.__dict__.copy()
1305 def __setstate__(self, p):
1306 if not hasattr(self,
'this'):
1308 if isinstance(p, tuple):
1310 self.__dict__.update(d)
1311 return self._set_from_binary(p)
1315 _IMP_saxs.Restraint_swigregister(Restraint)
1316 class RadiusOfGyrationRestraint(Restraint):
1317 r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1320 __repr__ = _swig_repr
1322 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1323 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1324 _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1325 __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1328 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1329 class FloatDistribution(DistBase):
1330 r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1332 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1333 __repr__ = _swig_repr
1335 def __init__(self, *args):
1336 r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1337 _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1339 def get_max_distance(self):
1340 r"""get_max_distance(FloatDistribution self) -> double"""
1341 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1343 def get_bin_size(self):
1344 r"""get_bin_size(FloatDistribution self) -> double"""
1345 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1347 def get_index_from_distance(self, dist):
1348 r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1349 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1351 def get_distance_from_index(self, index):
1352 r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1353 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1354 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1357 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1358 class VectorDistribution(object):
1359 r"""Proxy of C++ IMP::saxs::Distribution< IMP::algebra::Vector3D > class."""
1361 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1362 __repr__ = _swig_repr
1364 def __init__(self, *args):
1365 r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1366 _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1368 def get_max_distance(self):
1369 r"""get_max_distance(VectorDistribution self) -> double"""
1370 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1372 def get_bin_size(self):
1373 r"""get_bin_size(VectorDistribution self) -> double"""
1374 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1376 def get_index_from_distance(self, dist):
1377 r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1378 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1380 def get_distance_from_index(self, index):
1381 r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1382 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1383 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1386 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1387 class RadialDistributionFunction(FloatDistribution):
1388 r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1390 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1391 __repr__ = _swig_repr
1393 def __init__(self, *args):
1395 __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1396 __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1398 _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1400 def get_square_root_distances(self):
1401 r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1402 return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1405 r"""scale(RadialDistributionFunction self, double c)"""
1406 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1408 def add(self, model_pr):
1409 r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1410 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1412 def show(self, *args):
1413 r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1414 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1416 def R_factor_score(self, *args):
1417 r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1418 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1420 def fit(self, *args):
1421 r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1422 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1424 def normalize(self):
1425 r"""normalize(RadialDistributionFunction self)"""
1426 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1428 def add_to_distribution(self, dist, value):
1429 r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1430 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1431 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1434 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1435 class DeltaDistributionFunction(VectorDistribution):
1436 r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1438 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1439 __repr__ = _swig_repr
1441 def __init__(self, *args):
1442 r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1443 _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1445 def calculate_derivative_distribution(self, particle):
1446 r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1447 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1449 def show(self, *args):
1450 r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1451 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1452 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1455 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1456 class SolventAccessibleSurface(object):
1457 r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1459 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1460 __repr__ = _swig_repr
1462 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1463 r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1464 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1467 r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1468 _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1469 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1472 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1474 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1477 __repr__ = _swig_repr
1479 def __init__(self, *args):
1481 __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1482 __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1484 _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1486 def compute_score(self, *args):
1487 r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1488 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1490 def fit_profile(self, *args):
1491 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"""
1492 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1494 def compute_scale_factor(self, model_profile, offset=0.0):
1495 r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1496 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1498 def compute_offset(self, model_profile):
1499 r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1500 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1502 def resample(self, model_profile, resampled_profile):
1503 r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1504 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1506 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1507 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)"""
1508 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1510 def get_profile(self):
1511 r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1512 return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1513 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1516 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1517 class ProfileFitterRatioVolatility(
IMP.Object):
1518 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1521 __repr__ = _swig_repr
1523 def __init__(self, *args):
1525 __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1526 __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1528 _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1530 def compute_score(self, *args):
1531 r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1532 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1534 def fit_profile(self, *args):
1535 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"""
1536 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1538 def compute_scale_factor(self, model_profile, offset=0.0):
1539 r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1540 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1542 def compute_offset(self, model_profile):
1543 r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1544 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1546 def resample(self, model_profile, resampled_profile):
1547 r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1548 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1550 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1551 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)"""
1552 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1554 def get_profile(self):
1555 r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1556 return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1557 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1560 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1563 r"""get_module_version() -> std::string const"""
1564 return _IMP_saxs.get_module_version()
1567 r"""get_example_path(std::string fname) -> std::string"""
1568 return _IMP_saxs.get_example_path(fname)
1571 r"""get_data_path(std::string fname) -> std::string"""
1572 return _IMP_saxs.get_data_path(fname)
1574 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.
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.