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IMP Reference Guide  develop.50fdd7fa33,2025/08/31
The Integrative Modeling Platform
saxs/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.3.1
3 #
4 # Do not make changes to this file unless you know what you are doing - modify
5 # the SWIG interface file instead.
6 
7 
8 # This wrapper is part of IMP,
9 # Copyright 2007-2025 IMP Inventors. All rights reserved.
10 
11 
12 
13 
14 from sys import version_info as _swig_python_version_info
15 import _IMP_saxs
16 
17 try:
18  import builtins as __builtin__
19 except ImportError:
20  import __builtin__
21 
22 def _swig_repr(self):
23  try:
24  strthis = "proxy of " + self.this.__repr__()
25  except __builtin__.Exception:
26  strthis = ""
27  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
28 
29 
30 def _swig_setattr_nondynamic_instance_variable(set):
31  def set_instance_attr(self, name, value):
32  if name == "this":
33  set(self, name, value)
34  elif name == "thisown":
35  self.this.own(value)
36  elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
37  set(self, name, value)
38  else:
39  raise AttributeError("You cannot add instance attributes to %s" % self)
40  return set_instance_attr
41 
42 
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):
46  set(cls, name, value)
47  else:
48  raise AttributeError("You cannot add class attributes to %s" % cls)
49  return set_class_attr
50 
51 
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"""
54  def wrapper(cls):
55  return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
56  return wrapper
57 
58 
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__)
62 
63 
64 import weakref
65 
66 class IMP_SAXS_SwigPyIterator(object):
67  r"""Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
68 
69  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
70 
71  def __init__(self, *args, **kwargs):
72  raise AttributeError("No constructor defined - class is abstract")
73  __repr__ = _swig_repr
74  __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
75 
76  def value(self):
77  r"""value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
78  return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
79 
80  def incr(self, n=1):
81  r"""incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
82  return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
83 
84  def decr(self, n=1):
85  r"""decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator"""
86  return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
87 
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)
91 
92  def equal(self, x):
93  r"""equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
94  return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
95 
96  def copy(self):
97  r"""copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
98  return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
99 
100  def next(self):
101  r"""next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
102  return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
103 
104  def __next__(self):
105  r"""__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
106  return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
107 
108  def previous(self):
109  r"""previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
110  return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
111 
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)
115 
116  def __eq__(self, x):
117  r"""__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
118  return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
119 
120  def __ne__(self, x):
121  r"""__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
122  return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
123 
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)
127 
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)
131 
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)
135 
136  def __sub__(self, *args):
137  r"""
138  __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
139  __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
140  """
141  return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
142  def __iter__(self):
143  return self
144 
145 # Register IMP_SAXS_SwigPyIterator in _IMP_saxs:
146 _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
147 
148 _value_types=[]
149 _object_types=[]
150 _raii_types=[]
151 _plural_types=[]
152 
153 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
154 
155 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
156 
157 IMP_SILENT = _IMP_saxs.IMP_SILENT
158 
159 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
160 
161 IMP_TERSE = _IMP_saxs.IMP_TERSE
162 
163 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
164 
165 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
166 
167 IMP_NONE = _IMP_saxs.IMP_NONE
168 
169 IMP_USAGE = _IMP_saxs.IMP_USAGE
170 
171 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
172 
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
174 
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_saxs.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
176 
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
178 
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_saxs.IMP_COMPILER_HAS_RANDOM_SHUFFLE
180 
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_saxs.IMP_COMPILER_HAS_THREE_WAY
182 
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
184 
185 IMP_KERNEL_HAS_NUMPY = _IMP_saxs.IMP_KERNEL_HAS_NUMPY
186 
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_SYSTEM
188 
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
190 
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
192 
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
194 
195 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
196 
197 
198 import sys
199 class _DirectorObjects:
200  """@internal Simple class to keep references to director objects
201  to prevent premature deletion."""
202  def __init__(self):
203  self._objects = []
204  def register(self, obj):
205  """Take a reference to a director object; will only work for
206  refcounted C++ classes"""
207  if hasattr(obj, 'get_ref_count'):
208  self._objects.append(obj)
209  def cleanup(self):
210  """Only drop our reference and allow cleanup by Python if no other
211  Python references exist (we hold 3 references: one in self._objects,
212  one in x, and one in the argument list for getrefcount) *and* no
213  other C++ references exist (the Python object always holds one)"""
214  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
215  or x.get_ref_count() > 1]
216 # Do in two steps so the references are kept until the end of the
217 # function (deleting references may trigger a fresh call to this method)
218  self._objects = objs
219  def get_object_count(self):
220  """Get number of director objects (useful for testing only)"""
221  return len(self._objects)
222 _director_objects = _DirectorObjects()
223 
224 class _ostream(object):
225  r"""Proxy of C++ std::ostream class."""
226 
227  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
228 
229  def __init__(self, *args, **kwargs):
230  raise AttributeError("No constructor defined")
231  __repr__ = _swig_repr
232 
233  def write(self, osa_buf):
234  r"""write(_ostream self, char const * osa_buf)"""
235  return _IMP_saxs._ostream_write(self, osa_buf)
236 
237 # Register _ostream in _IMP_saxs:
238 _IMP_saxs._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
240 
241 import IMP
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
243 
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
245 
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
247 
248 IMP_CGAL_HAS_NUMPY = _IMP_saxs.IMP_CGAL_HAS_NUMPY
249 
250 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
251 
252 import IMP.cgal
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
254 
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
256 
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
258 
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
260 
261 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
262 
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
264 
265 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
266 
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
268 
269 import IMP.algebra
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
271 
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
273 
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
275 
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
277 
278 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
279 
280 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
281 
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
283 
284 import IMP.display
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
286 
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
288 
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
290 
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
292 
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
294 
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
296 
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
298 
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
300 
301 import IMP.score_functor
302 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
303 
304 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
305 
306 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
307 
308 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
309 
310 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
311 
312 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
313 
314 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
315 
316 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
317 
318 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
319 
320 import IMP.core
321 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
322 
323 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
324 
325 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
326 
327 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
328 
329 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
330 
331 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
332 
333 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
334 
335 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
336 
337 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
338 
339 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
340 
341 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
342 
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
344 
345 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
346 
347 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
348 
349 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
350 
351 import IMP.container
352 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
353 
354 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
355 
356 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
357 
358 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
359 
360 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
361 
362 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
363 
364 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
365 
366 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
367 
368 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
369 
370 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
371 
372 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
373 
374 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
375 
376 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
377 
378 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
379 
380 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
381 
382 import IMP.atom
383 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
384 
385 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
386 
387 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
388 
389 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
390 
391 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
392 
393 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
394 
395 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
396 
397 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
398 
399 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
400 
401 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
402 
403 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
404 
405 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
406 
407 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
408 
409 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
410 
411 class DistBase(object):
412  r"""Proxy of C++ std::vector< double > class."""
413 
414  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
415  __repr__ = _swig_repr
416 
417  def iterator(self):
418  r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
419  return _IMP_saxs.DistBase_iterator(self)
420  def __iter__(self):
421  return self.iterator()
422 
423  def __nonzero__(self):
424  r"""__nonzero__(DistBase self) -> bool"""
425  return _IMP_saxs.DistBase___nonzero__(self)
426 
427  def __bool__(self):
428  r"""__bool__(DistBase self) -> bool"""
429  return _IMP_saxs.DistBase___bool__(self)
430 
431  def __len__(self):
432  r"""__len__(DistBase self) -> std::vector< double >::size_type"""
433  return _IMP_saxs.DistBase___len__(self)
434 
435  def __getslice__(self, i, j):
436  r"""__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
437  return _IMP_saxs.DistBase___getslice__(self, i, j)
438 
439  def __setslice__(self, *args):
440  r"""
441  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
442  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
443  """
444  return _IMP_saxs.DistBase___setslice__(self, *args)
445 
446  def __delslice__(self, i, j):
447  r"""__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
448  return _IMP_saxs.DistBase___delslice__(self, i, j)
449 
450  def __delitem__(self, *args):
451  r"""
452  __delitem__(DistBase self, std::vector< double >::difference_type i)
453  __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
454  """
455  return _IMP_saxs.DistBase___delitem__(self, *args)
456 
457  def __getitem__(self, *args):
458  r"""
459  __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
460  __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
461  """
462  return _IMP_saxs.DistBase___getitem__(self, *args)
463 
464  def __setitem__(self, *args):
465  r"""
466  __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
467  __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
468  __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
469  """
470  return _IMP_saxs.DistBase___setitem__(self, *args)
471 
472  def pop(self):
473  r"""pop(DistBase self) -> std::vector< double >::value_type"""
474  return _IMP_saxs.DistBase_pop(self)
475 
476  def append(self, x):
477  r"""append(DistBase self, std::vector< double >::value_type const & x)"""
478  return _IMP_saxs.DistBase_append(self, x)
479 
480  def empty(self):
481  r"""empty(DistBase self) -> bool"""
482  return _IMP_saxs.DistBase_empty(self)
483 
484  def size(self):
485  r"""size(DistBase self) -> std::vector< double >::size_type"""
486  return _IMP_saxs.DistBase_size(self)
487 
488  def swap(self, v):
489  r"""swap(DistBase self, DistBase v)"""
490  return _IMP_saxs.DistBase_swap(self, v)
491 
492  def begin(self):
493  r"""begin(DistBase self) -> std::vector< double >::iterator"""
494  return _IMP_saxs.DistBase_begin(self)
495 
496  def end(self):
497  r"""end(DistBase self) -> std::vector< double >::iterator"""
498  return _IMP_saxs.DistBase_end(self)
499 
500  def rbegin(self):
501  r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
502  return _IMP_saxs.DistBase_rbegin(self)
503 
504  def rend(self):
505  r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
506  return _IMP_saxs.DistBase_rend(self)
507 
508  def clear(self):
509  r"""clear(DistBase self)"""
510  return _IMP_saxs.DistBase_clear(self)
511 
512  def get_allocator(self):
513  r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
514  return _IMP_saxs.DistBase_get_allocator(self)
515 
516  def pop_back(self):
517  r"""pop_back(DistBase self)"""
518  return _IMP_saxs.DistBase_pop_back(self)
519 
520  def erase(self, *args):
521  r"""
522  erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
523  erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
524  """
525  return _IMP_saxs.DistBase_erase(self, *args)
526 
527  def __init__(self, *args):
528  r"""
529  __init__(DistBase self) -> DistBase
530  __init__(DistBase self, DistBase other) -> DistBase
531  __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
532  __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
533  """
534  _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
535 
536  def push_back(self, x):
537  r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
538  return _IMP_saxs.DistBase_push_back(self, x)
539 
540  def front(self):
541  r"""front(DistBase self) -> std::vector< double >::value_type const &"""
542  return _IMP_saxs.DistBase_front(self)
543 
544  def back(self):
545  r"""back(DistBase self) -> std::vector< double >::value_type const &"""
546  return _IMP_saxs.DistBase_back(self)
547 
548  def assign(self, n, x):
549  r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
550  return _IMP_saxs.DistBase_assign(self, n, x)
551 
552  def resize(self, *args):
553  r"""
554  resize(DistBase self, std::vector< double >::size_type new_size)
555  resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
556  """
557  return _IMP_saxs.DistBase_resize(self, *args)
558 
559  def insert(self, *args):
560  r"""
561  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
562  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
563  """
564  return _IMP_saxs.DistBase_insert(self, *args)
565 
566  def reserve(self, n):
567  r"""reserve(DistBase self, std::vector< double >::size_type n)"""
568  return _IMP_saxs.DistBase_reserve(self, n)
569 
570  def capacity(self):
571  r"""capacity(DistBase self) -> std::vector< double >::size_type"""
572  return _IMP_saxs.DistBase_capacity(self)
573  __swig_destroy__ = _IMP_saxs.delete_DistBase
574 
575 # Register DistBase in _IMP_saxs:
576 _IMP_saxs.DistBase_swigregister(DistBase)
577 
578 _object_types.append("Profile")
579 
580 
581 def _object_cast_to_Profile(o):
582  r"""_object_cast_to_Profile(Object o) -> Profile"""
583  return _IMP_saxs._object_cast_to_Profile(o)
584 
585 _object_types.append("ChiScore")
586 
587 
588 def _object_cast_to_ChiScore(o):
589  r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
590  return _IMP_saxs._object_cast_to_ChiScore(o)
591 
592 _object_types.append("ChiScoreLog")
593 
594 
595 def _object_cast_to_ChiScoreLog(o):
596  r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
597  return _IMP_saxs._object_cast_to_ChiScoreLog(o)
598 
599 _object_types.append("Restraint")
600 
601 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
602 
603 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
604 
605 CA_ATOMS = _IMP_saxs.CA_ATOMS
606 
607 RESIDUES = _IMP_saxs.RESIDUES
608 
609 class FormFactorTable(object):
610  r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
611 
612  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
613  __repr__ = _swig_repr
614 
615  def __init__(self, *args):
616  r"""
617  __init__(FormFactorTable self) -> FormFactorTable
618  __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
619  """
620  _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
621 
622  def get_form_factor(self, *args):
623  r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
624  return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
625 
626  def get_vacuum_form_factor(self, *args):
627  r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
628  return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
629 
630  def get_dummy_form_factor(self, *args):
631  r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
632  return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
633 
634  def get_water_form_factor(self):
635  r"""get_water_form_factor(FormFactorTable self) -> double"""
636  return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
637 
638  def get_vacuum_water_form_factor(self):
639  r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
640  return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
641 
642  def get_dummy_water_form_factor(self):
643  r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
644  return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
645 
646  def get_form_factors(self, *args):
647  r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
648  return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
649 
650  def get_vacuum_form_factors(self, *args):
651  r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
652  return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
653 
654  def get_dummy_form_factors(self, *args):
655  r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
656  return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
657 
658  def get_water_form_factors(self):
659  r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
660  return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
661 
662  def get_water_vacuum_form_factors(self):
663  r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
664  return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
665 
666  def get_water_dummy_form_factors(self):
667  r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
668  return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
669 
670  def get_radius(self, *args):
671  r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
672  return _IMP_saxs.FormFactorTable_get_radius(self, *args)
673 
674  def get_volume(self, *args):
675  r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
676  return _IMP_saxs.FormFactorTable_get_volume(self, *args)
677 
678  def show(self, *args):
679  r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
680  return _IMP_saxs.FormFactorTable_show(self, *args)
681  rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=r"""rho_ : double""")
682  __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
683 
684 # Register FormFactorTable in _IMP_saxs:
685 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
686 cvar = _IMP_saxs.cvar
687 
688 
690  r"""get_default_form_factor_table() -> FormFactorTable"""
691  return _IMP_saxs.get_default_form_factor_table()
692 class Profile(IMP.Object):
693  r"""Proxy of C++ IMP::saxs::Profile class."""
694 
695  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
696 
697  def __init__(self, *args):
698  r"""
699  __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
700  __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
701  """
702  _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
703 
704  def calculate_profile_partial(self, *args):
705  r"""
706  calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
707  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1=IMP::Vector< double >(), IMP::Vector< double > const & surface2=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
708  """
709  return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
710 
711  def calculate_profile_reciprocal_partial(self, *args):
712  r"""calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
713  return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
714 
715  def calculate_profile(self, *args):
716  r"""
717  calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
718  calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
719  """
720  return _IMP_saxs.Profile_calculate_profile(self, *args)
721 
722  def calculate_I0(self, *args):
723  r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
724  return _IMP_saxs.Profile_calculate_I0(self, *args)
725 
726  def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
727  r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
728  return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
729 
730  def calculate_profile_symmetric(self, *args):
731  r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
732  return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
733 
734  def profile_2_distribution(self, rd, max_distance):
735  r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
736  return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
737 
738  def distribution_2_profile(self, r_dist):
739  r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
740  return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
741 
742  def resample(self, exp_profile, resampled_profile):
743  r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
744  return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
745 
746  def downsample(self, downsampled_profile, point_number):
747  r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
748  return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
749 
750  def radius_of_gyration(self, end_q_rg=1.3):
751  r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
752  return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
753 
754  def mean_intensity(self):
755  r"""mean_intensity(Profile self) -> double"""
756  return _IMP_saxs.Profile_mean_intensity(self)
757 
758  def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
759  r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
760  return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
761 
762  def write_SAXS_file(self, file_name, max_q=0.0):
763  r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
764  return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
765 
766  def read_partial_profiles(self, file_name):
767  r"""read_partial_profiles(Profile self, std::string const & file_name)"""
768  return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
769 
770  def write_partial_profiles(self, file_name):
771  r"""write_partial_profiles(Profile self, std::string const & file_name)"""
772  return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
773 
774  def get_delta_q(self):
775  r"""get_delta_q(Profile self) -> double"""
776  return _IMP_saxs.Profile_get_delta_q(self)
777 
778  def get_min_q(self):
779  r"""get_min_q(Profile self) -> double"""
780  return _IMP_saxs.Profile_get_min_q(self)
781 
782  def get_max_q(self):
783  r"""get_max_q(Profile self) -> double"""
784  return _IMP_saxs.Profile_get_max_q(self)
785 
786  def get_intensity(self, i):
787  r"""get_intensity(Profile self, unsigned int i) -> double"""
788  return _IMP_saxs.Profile_get_intensity(self, i)
789 
790  def get_q(self, i):
791  r"""get_q(Profile self, unsigned int i) -> double"""
792  return _IMP_saxs.Profile_get_q(self, i)
793 
794  def get_error(self, i):
795  r"""get_error(Profile self, unsigned int i) -> double"""
796  return _IMP_saxs.Profile_get_error(self, i)
797 
798  def get_weight(self, i):
799  r"""get_weight(Profile self, unsigned int i) -> double"""
800  return _IMP_saxs.Profile_get_weight(self, i)
801 
802  def get_qs(self):
803  r"""get_qs(Profile self) -> Eigen::VectorXd const &"""
804  return _IMP_saxs.Profile_get_qs(self)
805 
806  def get_intensities(self):
807  r"""get_intensities(Profile self) -> Eigen::VectorXd const &"""
808  return _IMP_saxs.Profile_get_intensities(self)
809 
810  def get_errors(self):
811  r"""get_errors(Profile self) -> Eigen::VectorXd const &"""
812  return _IMP_saxs.Profile_get_errors(self)
813 
814  def get_average_radius(self):
815  r"""get_average_radius(Profile self) -> double"""
816  return _IMP_saxs.Profile_get_average_radius(self)
817 
818  def size(self):
819  r"""size(Profile self) -> unsigned int"""
820  return _IMP_saxs.Profile_size(self)
821 
822  def is_uniform_sampling(self):
823  r"""is_uniform_sampling(Profile self) -> bool"""
824  return _IMP_saxs.Profile_is_uniform_sampling(self)
825 
826  def is_partial_profile(self):
827  r"""is_partial_profile(Profile self) -> bool"""
828  return _IMP_saxs.Profile_is_partial_profile(self)
829 
830  def get_name(self):
831  r"""get_name(Profile self) -> std::string"""
832  return _IMP_saxs.Profile_get_name(self)
833 
834  def get_id(self):
835  r"""get_id(Profile self) -> unsigned int"""
836  return _IMP_saxs.Profile_get_id(self)
837 
838  def set_qs(self, q):
839  r"""set_qs(Profile self, Eigen::VectorXd const & q)"""
840  return _IMP_saxs.Profile_set_qs(self, q)
841 
842  def set_intensities(self, i):
843  r"""set_intensities(Profile self, Eigen::VectorXd const & i)"""
844  return _IMP_saxs.Profile_set_intensities(self, i)
845 
846  def set_errors(self, e):
847  r"""set_errors(Profile self, Eigen::VectorXd const & e)"""
848  return _IMP_saxs.Profile_set_errors(self, e)
849 
850  def set_intensity(self, i, iq):
851  r"""set_intensity(Profile self, unsigned int i, double iq)"""
852  return _IMP_saxs.Profile_set_intensity(self, i, iq)
853 
854  def set_ff_table(self, ff_table):
855  r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
856  return _IMP_saxs.Profile_set_ff_table(self, ff_table)
857 
858  def set_average_radius(self, r):
859  r"""set_average_radius(Profile self, double r)"""
860  return _IMP_saxs.Profile_set_average_radius(self, r)
861 
862  def set_average_volume(self, v):
863  r"""set_average_volume(Profile self, double v)"""
864  return _IMP_saxs.Profile_set_average_volume(self, v)
865 
866  def set_name(self, name):
867  r"""set_name(Profile self, std::string name)"""
868  return _IMP_saxs.Profile_set_name(self, name)
869 
870  def set_id(self, id):
871  r"""set_id(Profile self, unsigned int id)"""
872  return _IMP_saxs.Profile_set_id(self, id)
873 
874  def set_beam_profile(self, beam_profile_file):
875  r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
876  return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
877 
878  def add_errors(self):
879  r"""add_errors(Profile self)"""
880  return _IMP_saxs.Profile_add_errors(self)
881 
882  def add_noise(self, percentage=0.03):
883  r"""add_noise(Profile self, double percentage=0.03)"""
884  return _IMP_saxs.Profile_add_noise(self, percentage)
885 
886  def sum_partial_profiles(self, c1, c2, check_cashed=True):
887  r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
888  return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
889 
890  def add(self, *args):
891  r"""
892  add(Profile self, Profile other_profile, double weight=1.0)
893  add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
894  """
895  return _IMP_saxs.Profile_add(self, *args)
896 
897  def add_partial_profiles(self, *args):
898  r"""
899  add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
900  add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
901  """
902  return _IMP_saxs.Profile_add_partial_profiles(self, *args)
903 
904  def background_adjust(self, start_q):
905  r"""background_adjust(Profile self, double start_q)"""
906  return _IMP_saxs.Profile_background_adjust(self, start_q)
907 
908  def scale(self, c):
909  r"""scale(Profile self, double c)"""
910  return _IMP_saxs.Profile_scale(self, c)
911 
912  def offset(self, c):
913  r"""offset(Profile self, double c)"""
914  return _IMP_saxs.Profile_offset(self, c)
915 
916  def copy_errors(self, exp_profile):
917  r"""copy_errors(Profile self, Profile exp_profile)"""
918  return _IMP_saxs.Profile_copy_errors(self, exp_profile)
919 
920  def get_version_info(self):
921  r"""get_version_info(Profile self) -> VersionInfo"""
922  return _IMP_saxs.Profile_get_version_info(self)
923  __swig_destroy__ = _IMP_saxs.delete_Profile
924 
925  def __str__(self):
926  r"""__str__(Profile self) -> std::string"""
927  return _IMP_saxs.Profile___str__(self)
928 
929  def __repr__(self):
930  r"""__repr__(Profile self) -> std::string"""
931  return _IMP_saxs.Profile___repr__(self)
932 
933  @staticmethod
934  def get_from(o):
935  return _object_cast_to_Profile(o)
936 
937 
938  def _get_as_binary(self):
939  r"""_get_as_binary(Profile self) -> PyObject *"""
940  return _IMP_saxs.Profile__get_as_binary(self)
941 
942  def _set_from_binary(self, p):
943  r"""_set_from_binary(Profile self, PyObject * p)"""
944  return _IMP_saxs.Profile__set_from_binary(self, p)
945 
946  def __getstate__(self):
947  p = self._get_as_binary()
948  if len(self.__dict__) > 1:
949  d = self.__dict__.copy()
950  del d['this']
951  p = (d, p)
952  return p
953 
954  def __setstate__(self, p):
955  if not hasattr(self, 'this'):
956  self.__init__()
957  if isinstance(p, tuple):
958  d, p = p
959  self.__dict__.update(d)
960  return self._set_from_binary(p)
961 
962 
963 # Register Profile in _IMP_saxs:
964 _IMP_saxs.Profile_swigregister(Profile)
965 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
966 
967 class FitParameters(object):
968  r"""Proxy of C++ IMP::saxs::FitParameters class."""
969 
970  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
971  __repr__ = _swig_repr
972 
973  def __init__(self, *args):
974  r"""
975  __init__(FitParameters self) -> FitParameters
976  __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
977  __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
978  """
979  _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
980 
981  def get_score(self):
982  r"""get_score(FitParameters self) -> double"""
983  return _IMP_saxs.FitParameters_get_score(self)
984 
985  def get_chi_square(self):
986  r"""get_chi_square(FitParameters self) -> double"""
987  return _IMP_saxs.FitParameters_get_chi_square(self)
988 
989  def get_c1(self):
990  r"""get_c1(FitParameters self) -> double"""
991  return _IMP_saxs.FitParameters_get_c1(self)
992 
993  def get_c2(self):
994  r"""get_c2(FitParameters self) -> double"""
995  return _IMP_saxs.FitParameters_get_c2(self)
996 
997  def get_scale(self):
998  r"""get_scale(FitParameters self) -> double"""
999  return _IMP_saxs.FitParameters_get_scale(self)
1000 
1001  def get_offset(self):
1002  r"""get_offset(FitParameters self) -> double"""
1003  return _IMP_saxs.FitParameters_get_offset(self)
1004 
1005  def get_default_chi_square(self):
1006  r"""get_default_chi_square(FitParameters self) -> double"""
1007  return _IMP_saxs.FitParameters_get_default_chi_square(self)
1008 
1009  def get_pdb_file_name(self):
1010  r"""get_pdb_file_name(FitParameters self) -> std::string"""
1011  return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1012 
1013  def get_profile_file_name(self):
1014  r"""get_profile_file_name(FitParameters self) -> std::string"""
1015  return _IMP_saxs.FitParameters_get_profile_file_name(self)
1016 
1017  def get_mol_index(self):
1018  r"""get_mol_index(FitParameters self) -> int"""
1019  return _IMP_saxs.FitParameters_get_mol_index(self)
1020 
1021  def set_score(self, score):
1022  r"""set_score(FitParameters self, double score)"""
1023  return _IMP_saxs.FitParameters_set_score(self, score)
1024 
1025  def set_chi_square(self, chi_square):
1026  r"""set_chi_square(FitParameters self, double chi_square)"""
1027  return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1028 
1029  def set_default_chi_square(self, chi_square):
1030  r"""set_default_chi_square(FitParameters self, double chi_square)"""
1031  return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1032 
1033  def set_profile_file_name(self, file_name):
1034  r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1035  return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1036 
1037  def set_pdb_file_name(self, file_name):
1038  r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1039  return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1040 
1041  def set_mol_index(self, index):
1042  r"""set_mol_index(FitParameters self, int index)"""
1043  return _IMP_saxs.FitParameters_set_mol_index(self, index)
1044 
1045  def show(self, s):
1046  r"""show(FitParameters self, _ostream s)"""
1047  return _IMP_saxs.FitParameters_show(self, s)
1048  __swig_destroy__ = _IMP_saxs.delete_FitParameters
1049 
1050 # Register FitParameters in _IMP_saxs:
1051 _IMP_saxs.FitParameters_swigregister(FitParameters)
1052 class WeightedFitParameters(FitParameters):
1053  r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1054 
1055  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1056  __repr__ = _swig_repr
1057 
1058  def __init__(self, *args):
1059  r"""
1060  __init__(WeightedFitParameters self) -> WeightedFitParameters
1061  __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1062  __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1063  """
1064  _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1065 
1066  def get_weights(self):
1067  r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1068  return _IMP_saxs.WeightedFitParameters_get_weights(self)
1069 
1070  def set_weights(self, weights):
1071  r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1072  return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1073 
1074  def show(self, s):
1075  r"""show(WeightedFitParameters self, _ostream s)"""
1076  return _IMP_saxs.WeightedFitParameters_show(self, s)
1077  __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1078 
1079 # Register WeightedFitParameters in _IMP_saxs:
1080 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1081 class ChiScore(IMP.Object):
1082  r"""Proxy of C++ IMP::saxs::ChiScore class."""
1083 
1084  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1085 
1086  def __init__(self):
1087  r"""__init__(ChiScore self) -> ChiScore"""
1088  _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1089 
1090  def compute_score(self, exp_profile, model_profile, use_offset=False):
1091  r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1092  return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1093 
1094  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1095  r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1096  return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1097 
1098  def compute_offset(self, exp_profile, model_profile):
1099  r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1100  return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1101 
1102  def get_version_info(self):
1103  r"""get_version_info(ChiScore self) -> VersionInfo"""
1104  return _IMP_saxs.ChiScore_get_version_info(self)
1105  __swig_destroy__ = _IMP_saxs.delete_ChiScore
1106 
1107  def __str__(self):
1108  r"""__str__(ChiScore self) -> std::string"""
1109  return _IMP_saxs.ChiScore___str__(self)
1110 
1111  def __repr__(self):
1112  r"""__repr__(ChiScore self) -> std::string"""
1113  return _IMP_saxs.ChiScore___repr__(self)
1114 
1115  @staticmethod
1116  def get_from(o):
1117  return _object_cast_to_ChiScore(o)
1118 
1119 
1120 # Register ChiScore in _IMP_saxs:
1121 _IMP_saxs.ChiScore_swigregister(ChiScore)
1122 class ChiScoreLog(IMP.Object):
1123  r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1124 
1125  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1126 
1127  def __init__(self):
1128  r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1129  _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1130 
1131  def compute_score(self, *args):
1132  r"""
1133  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1134  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1135  """
1136  return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1137 
1138  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1139  r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1140  return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1141 
1142  def compute_offset(self, exp_profile, model_profile):
1143  r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1144  return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1145 
1146  def get_version_info(self):
1147  r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1148  return _IMP_saxs.ChiScoreLog_get_version_info(self)
1149  __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1150 
1151  def __str__(self):
1152  r"""__str__(ChiScoreLog self) -> std::string"""
1153  return _IMP_saxs.ChiScoreLog___str__(self)
1154 
1155  def __repr__(self):
1156  r"""__repr__(ChiScoreLog self) -> std::string"""
1157  return _IMP_saxs.ChiScoreLog___repr__(self)
1158 
1159  @staticmethod
1160  def get_from(o):
1161  return _object_cast_to_ChiScoreLog(o)
1162 
1163 
1164 # Register ChiScoreLog in _IMP_saxs:
1165 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1166 class ProfileFitterChi(IMP.Object):
1167  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1168 
1169  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1170  __repr__ = _swig_repr
1171 
1172  def __init__(self, *args):
1173  r"""
1174  __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1175  __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1176  """
1177  _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1178 
1179  def compute_score(self, *args):
1180  r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1181  return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1182 
1183  def fit_profile(self, *args):
1184  r"""fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1185  return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1186 
1187  def compute_scale_factor(self, model_profile, offset=0.0):
1188  r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1189  return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1190 
1191  def compute_offset(self, model_profile):
1192  r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1193  return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1194 
1195  def resample(self, model_profile, resampled_profile):
1196  r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1197  return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1198 
1199  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1200  r"""write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1201  return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1202 
1203  def get_profile(self):
1204  r"""get_profile(ProfileFitterChi self) -> Profile"""
1205  return _IMP_saxs.ProfileFitterChi_get_profile(self)
1206  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1207 
1208 # Register ProfileFitterChi in _IMP_saxs:
1209 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1210 class WeightedProfileFitterChi(ProfileFitterChi):
1211  r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1212 
1213  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1214  __repr__ = _swig_repr
1215 
1216  def __init__(self, exp_profile):
1217  r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1218  _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1219 
1220  def compute_score(self, profiles, use_offset=False, NNLS=True):
1221  r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, bool use_offset=False, bool NNLS=True) -> double"""
1222  return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, use_offset, NNLS)
1223 
1224  def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0, use_offset=False):
1225  r"""fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> WeightedFitParameters"""
1226  return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1227 
1228  def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1229  r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1230  return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1231  __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1232 
1233 # Register WeightedProfileFitterChi in _IMP_saxs:
1234 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1235 class Restraint(IMP.Restraint):
1236  r"""Proxy of C++ IMP::saxs::Restraint class."""
1237 
1238  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1239 
1240  def __init__(self, *args):
1241  r"""
1242  __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1243  __init__(Restraint self) -> Restraint
1244  """
1245  _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1246 
1247  if self.__class__ != Restraint:
1248  _director_objects.register(self)
1249 
1250 
1251 
1252 
1253  def do_get_inputs(self):
1254  r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1255  return _IMP_saxs.Restraint_do_get_inputs(self)
1256 
1257  def get_version_info(self):
1258  r"""get_version_info(Restraint self) -> VersionInfo"""
1259  return _IMP_saxs.Restraint_get_version_info(self)
1260  __swig_destroy__ = _IMP_saxs.delete_Restraint
1261 
1262  def __str__(self):
1263  r"""__str__(Restraint self) -> std::string"""
1264  return _IMP_saxs.Restraint___str__(self)
1265 
1266  def __repr__(self):
1267  r"""__repr__(Restraint self) -> std::string"""
1268  return _IMP_saxs.Restraint___repr__(self)
1269 
1270  @staticmethod
1271  def get_from(o):
1272  return _object_cast_to_Restraint(o)
1273 
1274 
1275  def _get_as_binary(self):
1276  r"""_get_as_binary(Restraint self) -> PyObject *"""
1277  return _IMP_saxs.Restraint__get_as_binary(self)
1278 
1279  def _set_from_binary(self, p):
1280  r"""_set_from_binary(Restraint self, PyObject * p)"""
1281  return _IMP_saxs.Restraint__set_from_binary(self, p)
1282 
1283  def __getstate__(self):
1284  p = self._get_as_binary()
1285  if len(self.__dict__) > 1:
1286  d = self.__dict__.copy()
1287  del d['this']
1288  p = (d, p)
1289  return p
1290 
1291  def __setstate__(self, p):
1292  if not hasattr(self, 'this'):
1293  self.__init__()
1294  if isinstance(p, tuple):
1295  d, p = p
1296  self.__dict__.update(d)
1297  return self._set_from_binary(p)
1298 
1299 
1300 # Register Restraint in _IMP_saxs:
1301 _IMP_saxs.Restraint_swigregister(Restraint)
1302 class RadiusOfGyrationRestraint(Restraint):
1303  r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1304 
1305  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1306  __repr__ = _swig_repr
1307 
1308  def __init__(self, particles, exp_profile, end_q_rg=1.3):
1309  r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1310  _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1311  __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1312 
1313 # Register RadiusOfGyrationRestraint in _IMP_saxs:
1314 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1315 class FloatDistribution(DistBase):
1316  r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1317 
1318  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1319  __repr__ = _swig_repr
1320 
1321  def __init__(self, *args):
1322  r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1323  _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1324 
1325  def get_max_distance(self):
1326  r"""get_max_distance(FloatDistribution self) -> double"""
1327  return _IMP_saxs.FloatDistribution_get_max_distance(self)
1328 
1329  def get_bin_size(self):
1330  r"""get_bin_size(FloatDistribution self) -> double"""
1331  return _IMP_saxs.FloatDistribution_get_bin_size(self)
1332 
1333  def get_index_from_distance(self, dist):
1334  r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1335  return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1336 
1337  def get_distance_from_index(self, index):
1338  r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1339  return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1340  __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1341 
1342 # Register FloatDistribution in _IMP_saxs:
1343 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1344 class VectorDistribution(object):
1345  r"""Proxy of C++ IMP::saxs::Distribution< IMP::algebra::Vector3D > class."""
1346 
1347  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1348  __repr__ = _swig_repr
1349 
1350  def __init__(self, *args):
1351  r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1352  _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1353 
1354  def get_max_distance(self):
1355  r"""get_max_distance(VectorDistribution self) -> double"""
1356  return _IMP_saxs.VectorDistribution_get_max_distance(self)
1357 
1358  def get_bin_size(self):
1359  r"""get_bin_size(VectorDistribution self) -> double"""
1360  return _IMP_saxs.VectorDistribution_get_bin_size(self)
1361 
1362  def get_index_from_distance(self, dist):
1363  r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1364  return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1365 
1366  def get_distance_from_index(self, index):
1367  r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1368  return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1369  __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1370 
1371 # Register VectorDistribution in _IMP_saxs:
1372 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1373 class RadialDistributionFunction(FloatDistribution):
1374  r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1375 
1376  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1377  __repr__ = _swig_repr
1378 
1379  def __init__(self, *args):
1380  r"""
1381  __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1382  __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1383  """
1384  _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1385 
1386  def get_square_root_distances(self):
1387  r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1388  return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1389 
1390  def scale(self, c):
1391  r"""scale(RadialDistributionFunction self, double c)"""
1392  return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1393 
1394  def add(self, model_pr):
1395  r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1396  return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1397 
1398  def show(self, *args):
1399  r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1400  return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1401 
1402  def R_factor_score(self, *args):
1403  r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1404  return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1405 
1406  def fit(self, *args):
1407  r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1408  return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1409 
1410  def normalize(self):
1411  r"""normalize(RadialDistributionFunction self)"""
1412  return _IMP_saxs.RadialDistributionFunction_normalize(self)
1413 
1414  def add_to_distribution(self, dist, value):
1415  r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1416  return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1417  __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1418 
1419 # Register RadialDistributionFunction in _IMP_saxs:
1420 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1421 class DeltaDistributionFunction(VectorDistribution):
1422  r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1423 
1424  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1425  __repr__ = _swig_repr
1426 
1427  def __init__(self, *args):
1428  r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1429  _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1430 
1431  def calculate_derivative_distribution(self, particle):
1432  r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1433  return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1434 
1435  def show(self, *args):
1436  r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1437  return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1438  __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1439 
1440 # Register DeltaDistributionFunction in _IMP_saxs:
1441 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1442 class SolventAccessibleSurface(object):
1443  r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1444 
1445  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1446  __repr__ = _swig_repr
1447 
1448  def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1449  r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1450  return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1451 
1452  def __init__(self):
1453  r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1454  _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1455  __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1456 
1457 # Register SolventAccessibleSurface in _IMP_saxs:
1458 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1459 class ProfileFitterChiLog(IMP.Object):
1460  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1461 
1462  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1463  __repr__ = _swig_repr
1464 
1465  def __init__(self, *args):
1466  r"""
1467  __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1468  __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1469  """
1470  _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1471 
1472  def compute_score(self, *args):
1473  r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1474  return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1475 
1476  def fit_profile(self, *args):
1477  r"""fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1478  return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1479 
1480  def compute_scale_factor(self, model_profile, offset=0.0):
1481  r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1482  return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1483 
1484  def compute_offset(self, model_profile):
1485  r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1486  return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1487 
1488  def resample(self, model_profile, resampled_profile):
1489  r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1490  return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1491 
1492  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1493  r"""write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1494  return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1495 
1496  def get_profile(self):
1497  r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1498  return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1499  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1500 
1501 # Register ProfileFitterChiLog in _IMP_saxs:
1502 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1503 class ProfileFitterRatioVolatility(IMP.Object):
1504  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1505 
1506  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1507  __repr__ = _swig_repr
1508 
1509  def __init__(self, *args):
1510  r"""
1511  __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1512  __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1513  """
1514  _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1515 
1516  def compute_score(self, *args):
1517  r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1518  return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1519 
1520  def fit_profile(self, *args):
1521  r"""fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1522  return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1523 
1524  def compute_scale_factor(self, model_profile, offset=0.0):
1525  r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1526  return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1527 
1528  def compute_offset(self, model_profile):
1529  r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1530  return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1531 
1532  def resample(self, model_profile, resampled_profile):
1533  r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1534  return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1535 
1536  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1537  r"""write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1538  return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1539 
1540  def get_profile(self):
1541  r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1542  return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1543  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1544 
1545 # Register ProfileFitterRatioVolatility in _IMP_saxs:
1546 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1547 
1548 def get_module_name():
1549  r"""get_module_name() -> std::string const"""
1550  return _IMP_saxs.get_module_name()
1551 
1552 def get_module_version():
1553  r"""get_module_version() -> std::string const"""
1554  return _IMP_saxs.get_module_version()
1555 
1556 def get_example_path(fname):
1557  r"""get_example_path(std::string fname) -> std::string"""
1558  return _IMP_saxs.get_example_path(fname)
1559 
1560 def get_data_path(fname):
1561  r"""get_data_path(std::string fname) -> std::string"""
1562  return _IMP_saxs.get_data_path(fname)
1563 
1564 from . import _version_check
1565 _version_check.check_version(get_module_version())
1566 __version__ = get_module_version()
1567 
1568 
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.
Definition: BoundingBoxD.h:170
Common base class for heavy weight IMP objects.
Definition: Object.h:111
def get_module_name
Return the fully-qualified name of this module.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
Definition: saxs/utility.h:74
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:56