11 from __future__
import print_function, division, absolute_import
15 from sys
import version_info
as _swig_python_version_info
19 import builtins
as __builtin__
25 strthis =
"proxy of " + self.this.__repr__()
26 except __builtin__.Exception:
28 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
31 def _swig_setattr_nondynamic_instance_variable(set):
32 def set_instance_attr(self, name, value):
34 set(self, name, value)
35 elif name ==
"thisown":
37 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
38 set(self, name, value)
40 raise AttributeError(
"You cannot add instance attributes to %s" % self)
41 return set_instance_attr
44 def _swig_setattr_nondynamic_class_variable(set):
45 def set_class_attr(cls, name, value):
46 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
49 raise AttributeError(
"You cannot add class attributes to %s" % cls)
53 def _swig_add_metaclass(metaclass):
54 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
56 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
60 class _SwigNonDynamicMeta(type):
61 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
62 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
67 class IMP_SAXS_SwigPyIterator(object):
68 r"""Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
70 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
72 def __init__(self, *args, **kwargs):
73 raise AttributeError(
"No constructor defined - class is abstract")
75 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
78 r"""value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
79 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
82 r"""incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
83 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
86 r"""decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
87 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
89 def distance(self, x):
90 r"""distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
91 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
94 r"""equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
95 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
98 r"""copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
99 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
102 r"""next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
103 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
106 r"""__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
107 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
110 r"""previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
111 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
113 def advance(self, n):
114 r"""advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
115 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
118 r"""__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
119 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
122 r"""__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
123 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
125 def __iadd__(self, n):
126 r"""__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
127 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
129 def __isub__(self, n):
130 r"""__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
131 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
133 def __add__(self, n):
134 r"""__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
135 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
137 def __sub__(self, *args):
139 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
140 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
142 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
147 _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
154 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
156 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
158 IMP_SILENT = _IMP_saxs.IMP_SILENT
160 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
162 IMP_TERSE = _IMP_saxs.IMP_TERSE
164 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
166 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
168 IMP_NONE = _IMP_saxs.IMP_NONE
170 IMP_USAGE = _IMP_saxs.IMP_USAGE
172 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
174 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
176 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_saxs.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
178 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
180 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_saxs.IMP_COMPILER_HAS_RANDOM_SHUFFLE
182 IMP_COMPILER_HAS_THREE_WAY = _IMP_saxs.IMP_COMPILER_HAS_THREE_WAY
184 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
186 IMP_KERNEL_HAS_NUMPY = _IMP_saxs.IMP_KERNEL_HAS_NUMPY
188 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
190 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
192 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
194 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
198 class _DirectorObjects(object):
199 """@internal Simple class to keep references to director objects
200 to prevent premature deletion."""
203 def register(self, obj):
204 """Take a reference to a director object; will only work for
205 refcounted C++ classes"""
206 if hasattr(obj,
'get_ref_count'):
207 self._objects.append(obj)
209 """Only drop our reference and allow cleanup by Python if no other
210 Python references exist (we hold 3 references: one in self._objects,
211 one in x, and one in the argument list for getrefcount) *and* no
212 other C++ references exist (the Python object always holds one)"""
213 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
214 or x.get_ref_count() > 1]
218 def get_object_count(self):
219 """Get number of director objects (useful for testing only)"""
220 return len(self._objects)
221 _director_objects = _DirectorObjects()
223 class _ostream(object):
224 r"""Proxy of C++ std::ostream class."""
226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
228 def __init__(self, *args, **kwargs):
229 raise AttributeError(
"No constructor defined")
230 __repr__ = _swig_repr
232 def write(self, osa_buf):
233 r"""write(_ostream self, char const * osa_buf)"""
234 return _IMP_saxs._ostream_write(self, osa_buf)
237 _IMP_saxs._ostream_swigregister(_ostream)
238 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
241 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
243 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
245 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
247 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
249 IMP_CGAL_HAS_NUMPY = _IMP_saxs.IMP_CGAL_HAS_NUMPY
251 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
254 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
256 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
258 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
260 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
262 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
283 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
285 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
287 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
290 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
292 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
294 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
296 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
298 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
300 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
302 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
304 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
306 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
309 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
311 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
313 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
315 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
317 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
319 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
321 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
323 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
325 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
327 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
330 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
332 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
334 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
336 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
338 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
340 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
342 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
344 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
346 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
348 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
350 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
352 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
354 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
356 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
358 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
360 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
363 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
365 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
367 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
369 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
371 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
373 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
375 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
377 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
379 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
381 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
383 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
385 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
387 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
389 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
391 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
393 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
396 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
398 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
400 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
402 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
404 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
406 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
408 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
410 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
412 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
414 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
416 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
418 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
420 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
422 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
424 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
426 class DistBase(object):
427 r"""Proxy of C++ std::vector< double > class."""
429 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
430 __repr__ = _swig_repr
433 r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
434 return _IMP_saxs.DistBase_iterator(self)
436 return self.iterator()
438 def __nonzero__(self):
439 r"""__nonzero__(DistBase self) -> bool"""
440 return _IMP_saxs.DistBase___nonzero__(self)
443 r"""__bool__(DistBase self) -> bool"""
444 return _IMP_saxs.DistBase___bool__(self)
447 r"""__len__(DistBase self) -> std::vector< double >::size_type"""
448 return _IMP_saxs.DistBase___len__(self)
450 def __getslice__(self, i, j):
451 r"""__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
452 return _IMP_saxs.DistBase___getslice__(self, i, j)
454 def __setslice__(self, *args):
456 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
457 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
459 return _IMP_saxs.DistBase___setslice__(self, *args)
461 def __delslice__(self, i, j):
462 r"""__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
463 return _IMP_saxs.DistBase___delslice__(self, i, j)
465 def __delitem__(self, *args):
467 __delitem__(DistBase self, std::vector< double >::difference_type i)
468 __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
470 return _IMP_saxs.DistBase___delitem__(self, *args)
472 def __getitem__(self, *args):
474 __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
475 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
477 return _IMP_saxs.DistBase___getitem__(self, *args)
479 def __setitem__(self, *args):
481 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
482 __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
483 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
485 return _IMP_saxs.DistBase___setitem__(self, *args)
488 r"""pop(DistBase self) -> std::vector< double >::value_type"""
489 return _IMP_saxs.DistBase_pop(self)
492 r"""append(DistBase self, std::vector< double >::value_type const & x)"""
493 return _IMP_saxs.DistBase_append(self, x)
496 r"""empty(DistBase self) -> bool"""
497 return _IMP_saxs.DistBase_empty(self)
500 r"""size(DistBase self) -> std::vector< double >::size_type"""
501 return _IMP_saxs.DistBase_size(self)
504 r"""swap(DistBase self, DistBase v)"""
505 return _IMP_saxs.DistBase_swap(self, v)
508 r"""begin(DistBase self) -> std::vector< double >::iterator"""
509 return _IMP_saxs.DistBase_begin(self)
512 r"""end(DistBase self) -> std::vector< double >::iterator"""
513 return _IMP_saxs.DistBase_end(self)
516 r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
517 return _IMP_saxs.DistBase_rbegin(self)
520 r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
521 return _IMP_saxs.DistBase_rend(self)
524 r"""clear(DistBase self)"""
525 return _IMP_saxs.DistBase_clear(self)
527 def get_allocator(self):
528 r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
529 return _IMP_saxs.DistBase_get_allocator(self)
532 r"""pop_back(DistBase self)"""
533 return _IMP_saxs.DistBase_pop_back(self)
535 def erase(self, *args):
537 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
538 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
540 return _IMP_saxs.DistBase_erase(self, *args)
542 def __init__(self, *args):
544 __init__(DistBase self) -> DistBase
545 __init__(DistBase self, DistBase other) -> DistBase
546 __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
547 __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
549 _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
551 def push_back(self, x):
552 r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
553 return _IMP_saxs.DistBase_push_back(self, x)
556 r"""front(DistBase self) -> std::vector< double >::value_type const &"""
557 return _IMP_saxs.DistBase_front(self)
560 r"""back(DistBase self) -> std::vector< double >::value_type const &"""
561 return _IMP_saxs.DistBase_back(self)
563 def assign(self, n, x):
564 r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
565 return _IMP_saxs.DistBase_assign(self, n, x)
567 def resize(self, *args):
569 resize(DistBase self, std::vector< double >::size_type new_size)
570 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
572 return _IMP_saxs.DistBase_resize(self, *args)
574 def insert(self, *args):
576 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
577 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
579 return _IMP_saxs.DistBase_insert(self, *args)
581 def reserve(self, n):
582 r"""reserve(DistBase self, std::vector< double >::size_type n)"""
583 return _IMP_saxs.DistBase_reserve(self, n)
586 r"""capacity(DistBase self) -> std::vector< double >::size_type"""
587 return _IMP_saxs.DistBase_capacity(self)
588 __swig_destroy__ = _IMP_saxs.delete_DistBase
591 _IMP_saxs.DistBase_swigregister(DistBase)
593 _object_types.append(
"Profile")
596 def _object_cast_to_Profile(o):
597 r"""_object_cast_to_Profile(Object o) -> Profile"""
598 return _IMP_saxs._object_cast_to_Profile(o)
600 _object_types.append(
"ChiScore")
603 def _object_cast_to_ChiScore(o):
604 r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
605 return _IMP_saxs._object_cast_to_ChiScore(o)
607 _object_types.append(
"ChiScoreLog")
610 def _object_cast_to_ChiScoreLog(o):
611 r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
612 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
614 _object_types.append(
"Restraint")
616 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
618 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
620 CA_ATOMS = _IMP_saxs.CA_ATOMS
622 RESIDUES = _IMP_saxs.RESIDUES
624 class FormFactorTable(object):
625 r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
628 __repr__ = _swig_repr
630 def __init__(self, *args):
632 __init__(FormFactorTable self) -> FormFactorTable
633 __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
635 _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
637 def get_form_factor(self, *args):
638 r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
639 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
641 def get_vacuum_form_factor(self, *args):
642 r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
643 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
645 def get_dummy_form_factor(self, *args):
646 r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
647 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
649 def get_water_form_factor(self):
650 r"""get_water_form_factor(FormFactorTable self) -> double"""
651 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
653 def get_vacuum_water_form_factor(self):
654 r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
655 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
657 def get_dummy_water_form_factor(self):
658 r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
659 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
661 def get_form_factors(self, *args):
662 r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
663 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
665 def get_vacuum_form_factors(self, *args):
666 r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
667 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
669 def get_dummy_form_factors(self, *args):
670 r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
671 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
673 def get_water_form_factors(self):
674 r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
675 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
677 def get_water_vacuum_form_factors(self):
678 r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
679 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
681 def get_water_dummy_form_factors(self):
682 r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
683 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
685 def get_radius(self, *args):
686 r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
687 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
690 r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
691 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
693 def show(self, *args):
694 r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
695 return _IMP_saxs.FormFactorTable_show(self, *args)
696 rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=
r"""rho_ : double""")
697 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
700 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
701 cvar = _IMP_saxs.cvar
705 r"""get_default_form_factor_table() -> FormFactorTable"""
706 return _IMP_saxs.get_default_form_factor_table()
708 r"""Proxy of C++ IMP::saxs::Profile class."""
710 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
712 def __init__(self, *args):
714 __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
715 __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
717 _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
719 def calculate_profile_partial(self, *args):
721 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
722 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)
724 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
726 def calculate_profile_reciprocal_partial(self, *args):
727 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)"""
728 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
730 def calculate_profile(self, *args):
732 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
733 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
735 return _IMP_saxs.Profile_calculate_profile(self, *args)
737 def calculate_I0(self, *args):
738 r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
739 return _IMP_saxs.Profile_calculate_I0(self, *args)
741 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
742 r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
743 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
745 def calculate_profile_symmetric(self, *args):
746 r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
747 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
749 def profile_2_distribution(self, rd, max_distance):
750 r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
751 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
753 def distribution_2_profile(self, r_dist):
754 r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
755 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
757 def resample(self, exp_profile, resampled_profile):
758 r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
759 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
761 def downsample(self, downsampled_profile, point_number):
762 r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
763 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
766 r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
767 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
769 def mean_intensity(self):
770 r"""mean_intensity(Profile self) -> double"""
771 return _IMP_saxs.Profile_mean_intensity(self)
773 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
774 r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
775 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
777 def write_SAXS_file(self, file_name, max_q=0.0):
778 r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
779 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
781 def read_partial_profiles(self, file_name):
782 r"""read_partial_profiles(Profile self, std::string const & file_name)"""
783 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
785 def write_partial_profiles(self, file_name):
786 r"""write_partial_profiles(Profile self, std::string const & file_name)"""
787 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
789 def get_delta_q(self):
790 r"""get_delta_q(Profile self) -> double"""
791 return _IMP_saxs.Profile_get_delta_q(self)
794 r"""get_min_q(Profile self) -> double"""
795 return _IMP_saxs.Profile_get_min_q(self)
798 r"""get_max_q(Profile self) -> double"""
799 return _IMP_saxs.Profile_get_max_q(self)
801 def get_intensity(self, i):
802 r"""get_intensity(Profile self, unsigned int i) -> double"""
803 return _IMP_saxs.Profile_get_intensity(self, i)
806 r"""get_q(Profile self, unsigned int i) -> double"""
807 return _IMP_saxs.Profile_get_q(self, i)
809 def get_error(self, i):
810 r"""get_error(Profile self, unsigned int i) -> double"""
811 return _IMP_saxs.Profile_get_error(self, i)
813 def get_weight(self, i):
814 r"""get_weight(Profile self, unsigned int i) -> double"""
815 return _IMP_saxs.Profile_get_weight(self, i)
818 r"""get_qs(Profile self) -> Eigen::VectorXf const &"""
819 return _IMP_saxs.Profile_get_qs(self)
821 def get_intensities(self):
822 r"""get_intensities(Profile self) -> Eigen::VectorXf const &"""
823 return _IMP_saxs.Profile_get_intensities(self)
825 def get_errors(self):
826 r"""get_errors(Profile self) -> Eigen::VectorXf const &"""
827 return _IMP_saxs.Profile_get_errors(self)
829 def get_average_radius(self):
830 r"""get_average_radius(Profile self) -> double"""
831 return _IMP_saxs.Profile_get_average_radius(self)
834 r"""size(Profile self) -> unsigned int"""
835 return _IMP_saxs.Profile_size(self)
837 def is_uniform_sampling(self):
838 r"""is_uniform_sampling(Profile self) -> bool"""
839 return _IMP_saxs.Profile_is_uniform_sampling(self)
841 def is_partial_profile(self):
842 r"""is_partial_profile(Profile self) -> bool"""
843 return _IMP_saxs.Profile_is_partial_profile(self)
846 r"""get_name(Profile self) -> std::string"""
847 return _IMP_saxs.Profile_get_name(self)
850 r"""get_id(Profile self) -> unsigned int"""
851 return _IMP_saxs.Profile_get_id(self)
854 r"""set_qs(Profile self, Eigen::VectorXf const & q)"""
855 return _IMP_saxs.Profile_set_qs(self, q)
857 def set_intensities(self, i):
858 r"""set_intensities(Profile self, Eigen::VectorXf const & i)"""
859 return _IMP_saxs.Profile_set_intensities(self, i)
861 def set_errors(self, e):
862 r"""set_errors(Profile self, Eigen::VectorXf const & e)"""
863 return _IMP_saxs.Profile_set_errors(self, e)
865 def set_intensity(self, i, iq):
866 r"""set_intensity(Profile self, unsigned int i, double iq)"""
867 return _IMP_saxs.Profile_set_intensity(self, i, iq)
869 def set_ff_table(self, ff_table):
870 r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
871 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
873 def set_average_radius(self, r):
874 r"""set_average_radius(Profile self, double r)"""
875 return _IMP_saxs.Profile_set_average_radius(self, r)
877 def set_average_volume(self, v):
878 r"""set_average_volume(Profile self, double v)"""
879 return _IMP_saxs.Profile_set_average_volume(self, v)
881 def set_name(self, name):
882 r"""set_name(Profile self, std::string name)"""
883 return _IMP_saxs.Profile_set_name(self, name)
885 def set_id(self, id):
886 r"""set_id(Profile self, unsigned int id)"""
887 return _IMP_saxs.Profile_set_id(self, id)
889 def set_beam_profile(self, beam_profile_file):
890 r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
891 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
893 def add_errors(self):
894 r"""add_errors(Profile self)"""
895 return _IMP_saxs.Profile_add_errors(self)
897 def add_noise(self, percentage=0.03):
898 r"""add_noise(Profile self, double percentage=0.03)"""
899 return _IMP_saxs.Profile_add_noise(self, percentage)
901 def sum_partial_profiles(self, c1, c2, check_cashed=True):
902 r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
903 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
905 def add(self, *args):
907 add(Profile self, Profile other_profile, double weight=1.0)
908 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
910 return _IMP_saxs.Profile_add(self, *args)
912 def add_partial_profiles(self, *args):
914 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
915 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
917 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
919 def background_adjust(self, start_q):
920 r"""background_adjust(Profile self, double start_q)"""
921 return _IMP_saxs.Profile_background_adjust(self, start_q)
924 r"""scale(Profile self, double c)"""
925 return _IMP_saxs.Profile_scale(self, c)
928 r"""offset(Profile self, double c)"""
929 return _IMP_saxs.Profile_offset(self, c)
931 def copy_errors(self, exp_profile):
932 r"""copy_errors(Profile self, Profile exp_profile)"""
933 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
935 def get_version_info(self):
936 r"""get_version_info(Profile self) -> VersionInfo"""
937 return _IMP_saxs.Profile_get_version_info(self)
938 __swig_destroy__ = _IMP_saxs.delete_Profile
941 r"""__str__(Profile self) -> std::string"""
942 return _IMP_saxs.Profile___str__(self)
945 r"""__repr__(Profile self) -> std::string"""
946 return _IMP_saxs.Profile___repr__(self)
950 return _object_cast_to_Profile(o)
953 def _get_as_binary(self):
954 r"""_get_as_binary(Profile self) -> PyObject *"""
955 return _IMP_saxs.Profile__get_as_binary(self)
957 def _set_from_binary(self, p):
958 r"""_set_from_binary(Profile self, PyObject * p)"""
959 return _IMP_saxs.Profile__set_from_binary(self, p)
961 def __getstate__(self):
962 p = self._get_as_binary()
963 if len(self.__dict__) > 1:
964 d = self.__dict__.copy()
969 def __setstate__(self, p):
970 if not hasattr(self,
'this'):
972 if isinstance(p, tuple):
974 self.__dict__.update(d)
975 return self._set_from_binary(p)
979 _IMP_saxs.Profile_swigregister(Profile)
980 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
982 class FitParameters(object):
983 r"""Proxy of C++ IMP::saxs::FitParameters class."""
985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
986 __repr__ = _swig_repr
988 def __init__(self, *args):
990 __init__(FitParameters self) -> FitParameters
991 __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
992 __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
994 _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
997 r"""get_score(FitParameters self) -> double"""
998 return _IMP_saxs.FitParameters_get_score(self)
1000 def get_chi_square(self):
1001 r"""get_chi_square(FitParameters self) -> double"""
1002 return _IMP_saxs.FitParameters_get_chi_square(self)
1005 r"""get_c1(FitParameters self) -> double"""
1006 return _IMP_saxs.FitParameters_get_c1(self)
1009 r"""get_c2(FitParameters self) -> double"""
1010 return _IMP_saxs.FitParameters_get_c2(self)
1012 def get_scale(self):
1013 r"""get_scale(FitParameters self) -> double"""
1014 return _IMP_saxs.FitParameters_get_scale(self)
1016 def get_offset(self):
1017 r"""get_offset(FitParameters self) -> double"""
1018 return _IMP_saxs.FitParameters_get_offset(self)
1020 def get_default_chi_square(self):
1021 r"""get_default_chi_square(FitParameters self) -> double"""
1022 return _IMP_saxs.FitParameters_get_default_chi_square(self)
1024 def get_pdb_file_name(self):
1025 r"""get_pdb_file_name(FitParameters self) -> std::string"""
1026 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1028 def get_profile_file_name(self):
1029 r"""get_profile_file_name(FitParameters self) -> std::string"""
1030 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1032 def get_mol_index(self):
1033 r"""get_mol_index(FitParameters self) -> int"""
1034 return _IMP_saxs.FitParameters_get_mol_index(self)
1036 def set_score(self, score):
1037 r"""set_score(FitParameters self, double score)"""
1038 return _IMP_saxs.FitParameters_set_score(self, score)
1040 def set_chi_square(self, chi_square):
1041 r"""set_chi_square(FitParameters self, double chi_square)"""
1042 return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1044 def set_default_chi_square(self, chi_square):
1045 r"""set_default_chi_square(FitParameters self, double chi_square)"""
1046 return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1048 def set_profile_file_name(self, file_name):
1049 r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1050 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1052 def set_pdb_file_name(self, file_name):
1053 r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1054 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1056 def set_mol_index(self, index):
1057 r"""set_mol_index(FitParameters self, int index)"""
1058 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1061 r"""show(FitParameters self, _ostream s)"""
1062 return _IMP_saxs.FitParameters_show(self, s)
1063 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1066 _IMP_saxs.FitParameters_swigregister(FitParameters)
1067 class WeightedFitParameters(FitParameters):
1068 r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1071 __repr__ = _swig_repr
1073 def __init__(self, *args):
1075 __init__(WeightedFitParameters self) -> WeightedFitParameters
1076 __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1077 __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1079 _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1081 def get_weights(self):
1082 r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1083 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1085 def set_weights(self, weights):
1086 r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1087 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1090 r"""show(WeightedFitParameters self, _ostream s)"""
1091 return _IMP_saxs.WeightedFitParameters_show(self, s)
1092 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1095 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1097 r"""Proxy of C++ IMP::saxs::ChiScore class."""
1099 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1102 r"""__init__(ChiScore self) -> ChiScore"""
1103 _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1105 def compute_score(self, exp_profile, model_profile, use_offset=False):
1106 r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1107 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1109 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1110 r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1111 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1113 def compute_offset(self, exp_profile, model_profile):
1114 r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1115 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1117 def get_version_info(self):
1118 r"""get_version_info(ChiScore self) -> VersionInfo"""
1119 return _IMP_saxs.ChiScore_get_version_info(self)
1120 __swig_destroy__ = _IMP_saxs.delete_ChiScore
1123 r"""__str__(ChiScore self) -> std::string"""
1124 return _IMP_saxs.ChiScore___str__(self)
1127 r"""__repr__(ChiScore self) -> std::string"""
1128 return _IMP_saxs.ChiScore___repr__(self)
1132 return _object_cast_to_ChiScore(o)
1136 _IMP_saxs.ChiScore_swigregister(ChiScore)
1138 r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1140 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1143 r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1144 _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1146 def compute_score(self, *args):
1148 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1149 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1151 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1153 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1154 r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1155 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1157 def compute_offset(self, exp_profile, model_profile):
1158 r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1159 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1161 def get_version_info(self):
1162 r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1163 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1164 __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1167 r"""__str__(ChiScoreLog self) -> std::string"""
1168 return _IMP_saxs.ChiScoreLog___str__(self)
1171 r"""__repr__(ChiScoreLog self) -> std::string"""
1172 return _IMP_saxs.ChiScoreLog___repr__(self)
1176 return _object_cast_to_ChiScoreLog(o)
1180 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1182 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1184 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1185 __repr__ = _swig_repr
1187 def __init__(self, *args):
1189 __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1190 __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1192 _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1194 def compute_score(self, *args):
1195 r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1196 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1198 def fit_profile(self, *args):
1199 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"""
1200 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1202 def compute_scale_factor(self, model_profile, offset=0.0):
1203 r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1204 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1206 def compute_offset(self, model_profile):
1207 r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1208 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1210 def resample(self, model_profile, resampled_profile):
1211 r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1212 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1214 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1215 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)"""
1216 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1218 def get_profile(self):
1219 r"""get_profile(ProfileFitterChi self) -> Profile"""
1220 return _IMP_saxs.ProfileFitterChi_get_profile(self)
1221 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1224 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1225 class WeightedProfileFitterChi(ProfileFitterChi):
1226 r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1228 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1229 __repr__ = _swig_repr
1231 def __init__(self, exp_profile):
1232 r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1233 _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1235 def compute_score(self, profiles, weights, use_offset=False, NNLS=True):
1236 r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False, bool NNLS=True) -> double"""
1237 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, use_offset, NNLS)
1239 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):
1240 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"""
1241 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1243 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1244 r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1245 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1246 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1249 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1251 r"""Proxy of C++ IMP::saxs::Restraint class."""
1253 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1255 def __init__(self, *args):
1257 __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1258 __init__(Restraint self) -> Restraint
1260 _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1262 if self.__class__ != Restraint:
1263 _director_objects.register(self)
1268 def do_get_inputs(self):
1269 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1270 return _IMP_saxs.Restraint_do_get_inputs(self)
1272 def get_version_info(self):
1273 r"""get_version_info(Restraint self) -> VersionInfo"""
1274 return _IMP_saxs.Restraint_get_version_info(self)
1275 __swig_destroy__ = _IMP_saxs.delete_Restraint
1278 r"""__str__(Restraint self) -> std::string"""
1279 return _IMP_saxs.Restraint___str__(self)
1282 r"""__repr__(Restraint self) -> std::string"""
1283 return _IMP_saxs.Restraint___repr__(self)
1287 return _object_cast_to_Restraint(o)
1290 def _get_as_binary(self):
1291 r"""_get_as_binary(Restraint self) -> PyObject *"""
1292 return _IMP_saxs.Restraint__get_as_binary(self)
1294 def _set_from_binary(self, p):
1295 r"""_set_from_binary(Restraint self, PyObject * p)"""
1296 return _IMP_saxs.Restraint__set_from_binary(self, p)
1298 def __getstate__(self):
1299 p = self._get_as_binary()
1300 if len(self.__dict__) > 1:
1301 d = self.__dict__.copy()
1306 def __setstate__(self, p):
1307 if not hasattr(self,
'this'):
1309 if isinstance(p, tuple):
1311 self.__dict__.update(d)
1312 return self._set_from_binary(p)
1316 _IMP_saxs.Restraint_swigregister(Restraint)
1317 class RadiusOfGyrationRestraint(Restraint):
1318 r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1321 __repr__ = _swig_repr
1323 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1324 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1325 _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1326 __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1329 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1330 class FloatDistribution(DistBase):
1331 r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1333 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1334 __repr__ = _swig_repr
1336 def __init__(self, *args):
1337 r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1338 _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1340 def get_max_distance(self):
1341 r"""get_max_distance(FloatDistribution self) -> double"""
1342 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1344 def get_bin_size(self):
1345 r"""get_bin_size(FloatDistribution self) -> double"""
1346 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1348 def get_index_from_distance(self, dist):
1349 r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1350 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1352 def get_distance_from_index(self, index):
1353 r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1354 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1355 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1358 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1359 class VectorDistribution(object):
1360 r"""Proxy of C++ IMP::saxs::Distribution< IMP::algebra::Vector3D > class."""
1362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1363 __repr__ = _swig_repr
1365 def __init__(self, *args):
1366 r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1367 _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1369 def get_max_distance(self):
1370 r"""get_max_distance(VectorDistribution self) -> double"""
1371 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1373 def get_bin_size(self):
1374 r"""get_bin_size(VectorDistribution self) -> double"""
1375 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1377 def get_index_from_distance(self, dist):
1378 r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1379 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1381 def get_distance_from_index(self, index):
1382 r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1383 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1384 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1387 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1388 class RadialDistributionFunction(FloatDistribution):
1389 r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1392 __repr__ = _swig_repr
1394 def __init__(self, *args):
1396 __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1397 __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1399 _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1401 def get_square_root_distances(self):
1402 r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1403 return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1406 r"""scale(RadialDistributionFunction self, double c)"""
1407 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1409 def add(self, model_pr):
1410 r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1411 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1413 def show(self, *args):
1414 r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1415 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1417 def R_factor_score(self, *args):
1418 r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1419 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1421 def fit(self, *args):
1422 r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1423 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1425 def normalize(self):
1426 r"""normalize(RadialDistributionFunction self)"""
1427 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1429 def add_to_distribution(self, dist, value):
1430 r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1431 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1432 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1435 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1436 class DeltaDistributionFunction(VectorDistribution):
1437 r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1439 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1440 __repr__ = _swig_repr
1442 def __init__(self, *args):
1443 r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1444 _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1446 def calculate_derivative_distribution(self, particle):
1447 r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1448 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1450 def show(self, *args):
1451 r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1452 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1453 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1456 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1457 class SolventAccessibleSurface(object):
1458 r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1460 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1461 __repr__ = _swig_repr
1463 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1464 r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1465 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1468 r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1469 _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1470 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1473 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1475 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1477 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1478 __repr__ = _swig_repr
1480 def __init__(self, *args):
1482 __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1483 __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1485 _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1487 def compute_score(self, *args):
1488 r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1489 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1491 def fit_profile(self, *args):
1492 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"""
1493 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1495 def compute_scale_factor(self, model_profile, offset=0.0):
1496 r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1497 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1499 def compute_offset(self, model_profile):
1500 r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1501 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1503 def resample(self, model_profile, resampled_profile):
1504 r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1505 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1507 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1508 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)"""
1509 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1511 def get_profile(self):
1512 r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1513 return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1514 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1517 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1518 class ProfileFitterRatioVolatility(
IMP.Object):
1519 r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1521 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1522 __repr__ = _swig_repr
1524 def __init__(self, *args):
1526 __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1527 __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1529 _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1531 def compute_score(self, *args):
1532 r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1533 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1535 def fit_profile(self, *args):
1536 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"""
1537 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1539 def compute_scale_factor(self, model_profile, offset=0.0):
1540 r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1541 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1543 def compute_offset(self, model_profile):
1544 r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1545 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1547 def resample(self, model_profile, resampled_profile):
1548 r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1549 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1551 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1552 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)"""
1553 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1555 def get_profile(self):
1556 r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1557 return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1558 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1561 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1564 r"""get_module_version() -> std::string const"""
1565 return _IMP_saxs.get_module_version()
1568 r"""get_example_path(std::string fname) -> std::string"""
1569 return _IMP_saxs.get_example_path(fname)
1572 r"""get_data_path(std::string fname) -> std::string"""
1573 return _IMP_saxs.get_data_path(fname)
1575 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.