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IMP Reference Guide  develop.d97d4ead1f,2024/11/21
The Integrative Modeling Platform
saxs/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.3.0
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 2007-2024 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_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
188 
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
190 
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
192 
193 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
194 
195 
196 import sys
197 class _DirectorObjects:
198  """@internal Simple class to keep references to director objects
199  to prevent premature deletion."""
200  def __init__(self):
201  self._objects = []
202  def register(self, obj):
203  """Take a reference to a director object; will only work for
204  refcounted C++ classes"""
205  if hasattr(obj, 'get_ref_count'):
206  self._objects.append(obj)
207  def cleanup(self):
208  """Only drop our reference and allow cleanup by Python if no other
209  Python references exist (we hold 3 references: one in self._objects,
210  one in x, and one in the argument list for getrefcount) *and* no
211  other C++ references exist (the Python object always holds one)"""
212  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
213  or x.get_ref_count() > 1]
214 # Do in two steps so the references are kept until the end of the
215 # function (deleting references may trigger a fresh call to this method)
216  self._objects = objs
217  def get_object_count(self):
218  """Get number of director objects (useful for testing only)"""
219  return len(self._objects)
220 _director_objects = _DirectorObjects()
221 
222 class _ostream(object):
223  r"""Proxy of C++ std::ostream class."""
224 
225  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
226 
227  def __init__(self, *args, **kwargs):
228  raise AttributeError("No constructor defined")
229  __repr__ = _swig_repr
230 
231  def write(self, osa_buf):
232  r"""write(_ostream self, char const * osa_buf)"""
233  return _IMP_saxs._ostream_write(self, osa_buf)
234 
235 # Register _ostream in _IMP_saxs:
236 _IMP_saxs._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
238 
239 import IMP
240 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
241 
242 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
243 
244 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
245 
246 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
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_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
262 
263 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
264 
265 IMP_ALGEBRA_HAS_NUMPY = _IMP_saxs.IMP_ALGEBRA_HAS_NUMPY
266 
267 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
268 
269 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
270 
271 import IMP.algebra
272 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
273 
274 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
275 
276 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
277 
278 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
279 
280 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
281 
282 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
283 
284 IMP_DISPLAY_HAS_NUMPY = _IMP_saxs.IMP_DISPLAY_HAS_NUMPY
285 
286 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
287 
288 import IMP.display
289 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 
291 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 
293 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 
295 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 
297 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
298 
299 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
300 
301 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
302 
303 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_NUMPY
304 
305 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
306 
307 import IMP.score_functor
308 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
309 
310 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
311 
312 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
313 
314 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
315 
316 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
317 
318 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
319 
320 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
321 
322 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
323 
324 IMP_CORE_HAS_NUMPY = _IMP_saxs.IMP_CORE_HAS_NUMPY
325 
326 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
327 
328 import IMP.core
329 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
330 
331 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
332 
333 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
334 
335 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
336 
337 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
338 
339 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
340 
341 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
342 
343 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
344 
345 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
346 
347 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
348 
349 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
350 
351 IMP_CONTAINER_HAS_NUMPY = _IMP_saxs.IMP_CONTAINER_HAS_NUMPY
352 
353 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
354 
355 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
356 
357 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
358 
359 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
360 
361 import IMP.container
362 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
363 
364 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
365 
366 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
367 
368 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
369 
370 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
371 
372 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
373 
374 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
375 
376 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
377 
378 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
379 
380 IMP_ATOM_HAS_NUMPY = _IMP_saxs.IMP_ATOM_HAS_NUMPY
381 
382 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
383 
384 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
385 
386 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
387 
388 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
389 
390 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
391 
392 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
393 
394 import IMP.atom
395 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
396 
397 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
398 
399 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
400 
401 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
402 
403 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
404 
405 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
406 
407 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
408 
409 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
410 
411 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
412 
413 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
414 
415 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
416 
417 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
418 
419 IMP_SAXS_HAS_NUMPY = _IMP_saxs.IMP_SAXS_HAS_NUMPY
420 
421 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
422 
423 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
424 
425 class DistBase(object):
426  r"""Proxy of C++ std::vector< double > class."""
427 
428  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
429  __repr__ = _swig_repr
430 
431  def iterator(self):
432  r"""iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
433  return _IMP_saxs.DistBase_iterator(self)
434  def __iter__(self):
435  return self.iterator()
436 
437  def __nonzero__(self):
438  r"""__nonzero__(DistBase self) -> bool"""
439  return _IMP_saxs.DistBase___nonzero__(self)
440 
441  def __bool__(self):
442  r"""__bool__(DistBase self) -> bool"""
443  return _IMP_saxs.DistBase___bool__(self)
444 
445  def __len__(self):
446  r"""__len__(DistBase self) -> std::vector< double >::size_type"""
447  return _IMP_saxs.DistBase___len__(self)
448 
449  def __getslice__(self, i, j):
450  r"""__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
451  return _IMP_saxs.DistBase___getslice__(self, i, j)
452 
453  def __setslice__(self, *args):
454  r"""
455  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
456  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
457  """
458  return _IMP_saxs.DistBase___setslice__(self, *args)
459 
460  def __delslice__(self, i, j):
461  r"""__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
462  return _IMP_saxs.DistBase___delslice__(self, i, j)
463 
464  def __delitem__(self, *args):
465  r"""
466  __delitem__(DistBase self, std::vector< double >::difference_type i)
467  __delitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
468  """
469  return _IMP_saxs.DistBase___delitem__(self, *args)
470 
471  def __getitem__(self, *args):
472  r"""
473  __getitem__(DistBase self, SWIGPY_SLICEOBJECT * slice) -> DistBase
474  __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
475  """
476  return _IMP_saxs.DistBase___getitem__(self, *args)
477 
478  def __setitem__(self, *args):
479  r"""
480  __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice, DistBase v)
481  __setitem__(DistBase self, SWIGPY_SLICEOBJECT * slice)
482  __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
483  """
484  return _IMP_saxs.DistBase___setitem__(self, *args)
485 
486  def pop(self):
487  r"""pop(DistBase self) -> std::vector< double >::value_type"""
488  return _IMP_saxs.DistBase_pop(self)
489 
490  def append(self, x):
491  r"""append(DistBase self, std::vector< double >::value_type const & x)"""
492  return _IMP_saxs.DistBase_append(self, x)
493 
494  def empty(self):
495  r"""empty(DistBase self) -> bool"""
496  return _IMP_saxs.DistBase_empty(self)
497 
498  def size(self):
499  r"""size(DistBase self) -> std::vector< double >::size_type"""
500  return _IMP_saxs.DistBase_size(self)
501 
502  def swap(self, v):
503  r"""swap(DistBase self, DistBase v)"""
504  return _IMP_saxs.DistBase_swap(self, v)
505 
506  def begin(self):
507  r"""begin(DistBase self) -> std::vector< double >::iterator"""
508  return _IMP_saxs.DistBase_begin(self)
509 
510  def end(self):
511  r"""end(DistBase self) -> std::vector< double >::iterator"""
512  return _IMP_saxs.DistBase_end(self)
513 
514  def rbegin(self):
515  r"""rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
516  return _IMP_saxs.DistBase_rbegin(self)
517 
518  def rend(self):
519  r"""rend(DistBase self) -> std::vector< double >::reverse_iterator"""
520  return _IMP_saxs.DistBase_rend(self)
521 
522  def clear(self):
523  r"""clear(DistBase self)"""
524  return _IMP_saxs.DistBase_clear(self)
525 
526  def get_allocator(self):
527  r"""get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
528  return _IMP_saxs.DistBase_get_allocator(self)
529 
530  def pop_back(self):
531  r"""pop_back(DistBase self)"""
532  return _IMP_saxs.DistBase_pop_back(self)
533 
534  def erase(self, *args):
535  r"""
536  erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
537  erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
538  """
539  return _IMP_saxs.DistBase_erase(self, *args)
540 
541  def __init__(self, *args):
542  r"""
543  __init__(DistBase self) -> DistBase
544  __init__(DistBase self, DistBase other) -> DistBase
545  __init__(DistBase self, std::vector< double >::size_type size) -> DistBase
546  __init__(DistBase self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
547  """
548  _IMP_saxs.DistBase_swiginit(self, _IMP_saxs.new_DistBase(*args))
549 
550  def push_back(self, x):
551  r"""push_back(DistBase self, std::vector< double >::value_type const & x)"""
552  return _IMP_saxs.DistBase_push_back(self, x)
553 
554  def front(self):
555  r"""front(DistBase self) -> std::vector< double >::value_type const &"""
556  return _IMP_saxs.DistBase_front(self)
557 
558  def back(self):
559  r"""back(DistBase self) -> std::vector< double >::value_type const &"""
560  return _IMP_saxs.DistBase_back(self)
561 
562  def assign(self, n, x):
563  r"""assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
564  return _IMP_saxs.DistBase_assign(self, n, x)
565 
566  def resize(self, *args):
567  r"""
568  resize(DistBase self, std::vector< double >::size_type new_size)
569  resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
570  """
571  return _IMP_saxs.DistBase_resize(self, *args)
572 
573  def insert(self, *args):
574  r"""
575  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
576  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
577  """
578  return _IMP_saxs.DistBase_insert(self, *args)
579 
580  def reserve(self, n):
581  r"""reserve(DistBase self, std::vector< double >::size_type n)"""
582  return _IMP_saxs.DistBase_reserve(self, n)
583 
584  def capacity(self):
585  r"""capacity(DistBase self) -> std::vector< double >::size_type"""
586  return _IMP_saxs.DistBase_capacity(self)
587  __swig_destroy__ = _IMP_saxs.delete_DistBase
588 
589 # Register DistBase in _IMP_saxs:
590 _IMP_saxs.DistBase_swigregister(DistBase)
591 
592 _object_types.append("Profile")
593 
594 
595 def _object_cast_to_Profile(o):
596  r"""_object_cast_to_Profile(Object o) -> Profile"""
597  return _IMP_saxs._object_cast_to_Profile(o)
598 
599 _object_types.append("ChiScore")
600 
601 
602 def _object_cast_to_ChiScore(o):
603  r"""_object_cast_to_ChiScore(Object o) -> ChiScore"""
604  return _IMP_saxs._object_cast_to_ChiScore(o)
605 
606 _object_types.append("ChiScoreLog")
607 
608 
609 def _object_cast_to_ChiScoreLog(o):
610  r"""_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
611  return _IMP_saxs._object_cast_to_ChiScoreLog(o)
612 
613 _object_types.append("Restraint")
614 
615 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
616 
617 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
618 
619 CA_ATOMS = _IMP_saxs.CA_ATOMS
620 
621 RESIDUES = _IMP_saxs.RESIDUES
622 
623 class FormFactorTable(object):
624  r"""Proxy of C++ IMP::saxs::FormFactorTable class."""
625 
626  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
627  __repr__ = _swig_repr
628 
629  def __init__(self, *args):
630  r"""
631  __init__(FormFactorTable self) -> FormFactorTable
632  __init__(FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
633  """
634  _IMP_saxs.FormFactorTable_swiginit(self, _IMP_saxs.new_FormFactorTable(*args))
635 
636  def get_form_factor(self, *args):
637  r"""get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
638  return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
639 
640  def get_vacuum_form_factor(self, *args):
641  r"""get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
642  return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
643 
644  def get_dummy_form_factor(self, *args):
645  r"""get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
646  return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
647 
648  def get_water_form_factor(self):
649  r"""get_water_form_factor(FormFactorTable self) -> double"""
650  return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
651 
652  def get_vacuum_water_form_factor(self):
653  r"""get_vacuum_water_form_factor(FormFactorTable self) -> double"""
654  return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
655 
656  def get_dummy_water_form_factor(self):
657  r"""get_dummy_water_form_factor(FormFactorTable self) -> double"""
658  return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
659 
660  def get_form_factors(self, *args):
661  r"""get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
662  return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
663 
664  def get_vacuum_form_factors(self, *args):
665  r"""get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
666  return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
667 
668  def get_dummy_form_factors(self, *args):
669  r"""get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> IMP::Vector< double > const"""
670  return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
671 
672  def get_water_form_factors(self):
673  r"""get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
674  return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
675 
676  def get_water_vacuum_form_factors(self):
677  r"""get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
678  return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
679 
680  def get_water_dummy_form_factors(self):
681  r"""get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
682  return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
683 
684  def get_radius(self, *args):
685  r"""get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
686  return _IMP_saxs.FormFactorTable_get_radius(self, *args)
687 
688  def get_volume(self, *args):
689  r"""get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
690  return _IMP_saxs.FormFactorTable_get_volume(self, *args)
691 
692  def show(self, *args):
693  r"""show(FormFactorTable self, _ostream out=std::cout, std::string prefix="")"""
694  return _IMP_saxs.FormFactorTable_show(self, *args)
695  rho_ = property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set, doc=r"""rho_ : double""")
696  __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
697 
698 # Register FormFactorTable in _IMP_saxs:
699 _IMP_saxs.FormFactorTable_swigregister(FormFactorTable)
700 cvar = _IMP_saxs.cvar
701 
702 
704  r"""get_default_form_factor_table() -> FormFactorTable"""
705  return _IMP_saxs.get_default_form_factor_table()
706 class Profile(IMP.Object):
707  r"""Proxy of C++ IMP::saxs::Profile class."""
708 
709  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
710 
711  def __init__(self, *args):
712  r"""
713  __init__(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
714  __init__(Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
715  """
716  _IMP_saxs.Profile_swiginit(self, _IMP_saxs.new_Profile(*args))
717 
718  def calculate_profile_partial(self, *args):
719  r"""
720  calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
721  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1=IMP::Vector< double >(), IMP::Vector< double > const & surface2=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
722  """
723  return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
724 
725  def calculate_profile_reciprocal_partial(self, *args):
726  r"""calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface=IMP::Vector< double >(), IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
727  return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
728 
729  def calculate_profile(self, *args):
730  r"""
731  calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS, bool reciprocal=False)
732  calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)
733  """
734  return _IMP_saxs.Profile_calculate_profile(self, *args)
735 
736  def calculate_I0(self, *args):
737  r"""calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> double"""
738  return _IMP_saxs.Profile_calculate_I0(self, *args)
739 
740  def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
741  r"""calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)"""
742  return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
743 
744  def calculate_profile_symmetric(self, *args):
745  r"""calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS)"""
746  return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
747 
748  def profile_2_distribution(self, rd, max_distance):
749  r"""profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
750  return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
751 
752  def distribution_2_profile(self, r_dist):
753  r"""distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
754  return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
755 
756  def resample(self, exp_profile, resampled_profile):
757  r"""resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
758  return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
759 
760  def downsample(self, downsampled_profile, point_number):
761  r"""downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
762  return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
763 
764  def radius_of_gyration(self, end_q_rg=1.3):
765  r"""radius_of_gyration(Profile self, double end_q_rg=1.3) -> double"""
766  return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
767 
768  def mean_intensity(self):
769  r"""mean_intensity(Profile self) -> double"""
770  return _IMP_saxs.Profile_mean_intensity(self)
771 
772  def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
773  r"""read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)"""
774  return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
775 
776  def write_SAXS_file(self, file_name, max_q=0.0):
777  r"""write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)"""
778  return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
779 
780  def read_partial_profiles(self, file_name):
781  r"""read_partial_profiles(Profile self, std::string const & file_name)"""
782  return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
783 
784  def write_partial_profiles(self, file_name):
785  r"""write_partial_profiles(Profile self, std::string const & file_name)"""
786  return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
787 
788  def get_delta_q(self):
789  r"""get_delta_q(Profile self) -> double"""
790  return _IMP_saxs.Profile_get_delta_q(self)
791 
792  def get_min_q(self):
793  r"""get_min_q(Profile self) -> double"""
794  return _IMP_saxs.Profile_get_min_q(self)
795 
796  def get_max_q(self):
797  r"""get_max_q(Profile self) -> double"""
798  return _IMP_saxs.Profile_get_max_q(self)
799 
800  def get_intensity(self, i):
801  r"""get_intensity(Profile self, unsigned int i) -> double"""
802  return _IMP_saxs.Profile_get_intensity(self, i)
803 
804  def get_q(self, i):
805  r"""get_q(Profile self, unsigned int i) -> double"""
806  return _IMP_saxs.Profile_get_q(self, i)
807 
808  def get_error(self, i):
809  r"""get_error(Profile self, unsigned int i) -> double"""
810  return _IMP_saxs.Profile_get_error(self, i)
811 
812  def get_weight(self, i):
813  r"""get_weight(Profile self, unsigned int i) -> double"""
814  return _IMP_saxs.Profile_get_weight(self, i)
815 
816  def get_qs(self):
817  r"""get_qs(Profile self) -> Eigen::VectorXf const &"""
818  return _IMP_saxs.Profile_get_qs(self)
819 
820  def get_intensities(self):
821  r"""get_intensities(Profile self) -> Eigen::VectorXf const &"""
822  return _IMP_saxs.Profile_get_intensities(self)
823 
824  def get_errors(self):
825  r"""get_errors(Profile self) -> Eigen::VectorXf const &"""
826  return _IMP_saxs.Profile_get_errors(self)
827 
828  def get_average_radius(self):
829  r"""get_average_radius(Profile self) -> double"""
830  return _IMP_saxs.Profile_get_average_radius(self)
831 
832  def size(self):
833  r"""size(Profile self) -> unsigned int"""
834  return _IMP_saxs.Profile_size(self)
835 
836  def is_uniform_sampling(self):
837  r"""is_uniform_sampling(Profile self) -> bool"""
838  return _IMP_saxs.Profile_is_uniform_sampling(self)
839 
840  def is_partial_profile(self):
841  r"""is_partial_profile(Profile self) -> bool"""
842  return _IMP_saxs.Profile_is_partial_profile(self)
843 
844  def get_name(self):
845  r"""get_name(Profile self) -> std::string"""
846  return _IMP_saxs.Profile_get_name(self)
847 
848  def get_id(self):
849  r"""get_id(Profile self) -> unsigned int"""
850  return _IMP_saxs.Profile_get_id(self)
851 
852  def set_qs(self, q):
853  r"""set_qs(Profile self, Eigen::VectorXf const & q)"""
854  return _IMP_saxs.Profile_set_qs(self, q)
855 
856  def set_intensities(self, i):
857  r"""set_intensities(Profile self, Eigen::VectorXf const & i)"""
858  return _IMP_saxs.Profile_set_intensities(self, i)
859 
860  def set_errors(self, e):
861  r"""set_errors(Profile self, Eigen::VectorXf const & e)"""
862  return _IMP_saxs.Profile_set_errors(self, e)
863 
864  def set_intensity(self, i, iq):
865  r"""set_intensity(Profile self, unsigned int i, double iq)"""
866  return _IMP_saxs.Profile_set_intensity(self, i, iq)
867 
868  def set_ff_table(self, ff_table):
869  r"""set_ff_table(Profile self, FormFactorTable ff_table)"""
870  return _IMP_saxs.Profile_set_ff_table(self, ff_table)
871 
872  def set_average_radius(self, r):
873  r"""set_average_radius(Profile self, double r)"""
874  return _IMP_saxs.Profile_set_average_radius(self, r)
875 
876  def set_average_volume(self, v):
877  r"""set_average_volume(Profile self, double v)"""
878  return _IMP_saxs.Profile_set_average_volume(self, v)
879 
880  def set_name(self, name):
881  r"""set_name(Profile self, std::string name)"""
882  return _IMP_saxs.Profile_set_name(self, name)
883 
884  def set_id(self, id):
885  r"""set_id(Profile self, unsigned int id)"""
886  return _IMP_saxs.Profile_set_id(self, id)
887 
888  def set_beam_profile(self, beam_profile_file):
889  r"""set_beam_profile(Profile self, std::string beam_profile_file)"""
890  return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
891 
892  def add_errors(self):
893  r"""add_errors(Profile self)"""
894  return _IMP_saxs.Profile_add_errors(self)
895 
896  def add_noise(self, percentage=0.03):
897  r"""add_noise(Profile self, double percentage=0.03)"""
898  return _IMP_saxs.Profile_add_noise(self, percentage)
899 
900  def sum_partial_profiles(self, c1, c2, check_cashed=True):
901  r"""sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)"""
902  return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
903 
904  def add(self, *args):
905  r"""
906  add(Profile self, Profile other_profile, double weight=1.0)
907  add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
908  """
909  return _IMP_saxs.Profile_add(self, *args)
910 
911  def add_partial_profiles(self, *args):
912  r"""
913  add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
914  add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights=IMP::Vector< double >())
915  """
916  return _IMP_saxs.Profile_add_partial_profiles(self, *args)
917 
918  def background_adjust(self, start_q):
919  r"""background_adjust(Profile self, double start_q)"""
920  return _IMP_saxs.Profile_background_adjust(self, start_q)
921 
922  def scale(self, c):
923  r"""scale(Profile self, double c)"""
924  return _IMP_saxs.Profile_scale(self, c)
925 
926  def offset(self, c):
927  r"""offset(Profile self, double c)"""
928  return _IMP_saxs.Profile_offset(self, c)
929 
930  def copy_errors(self, exp_profile):
931  r"""copy_errors(Profile self, Profile exp_profile)"""
932  return _IMP_saxs.Profile_copy_errors(self, exp_profile)
933 
934  def get_version_info(self):
935  r"""get_version_info(Profile self) -> VersionInfo"""
936  return _IMP_saxs.Profile_get_version_info(self)
937  __swig_destroy__ = _IMP_saxs.delete_Profile
938 
939  def __str__(self):
940  r"""__str__(Profile self) -> std::string"""
941  return _IMP_saxs.Profile___str__(self)
942 
943  def __repr__(self):
944  r"""__repr__(Profile self) -> std::string"""
945  return _IMP_saxs.Profile___repr__(self)
946 
947  @staticmethod
948  def get_from(o):
949  return _object_cast_to_Profile(o)
950 
951 
952  def _get_as_binary(self):
953  r"""_get_as_binary(Profile self) -> PyObject *"""
954  return _IMP_saxs.Profile__get_as_binary(self)
955 
956  def _set_from_binary(self, p):
957  r"""_set_from_binary(Profile self, PyObject * p)"""
958  return _IMP_saxs.Profile__set_from_binary(self, p)
959 
960  def __getstate__(self):
961  p = self._get_as_binary()
962  if len(self.__dict__) > 1:
963  d = self.__dict__.copy()
964  del d['this']
965  p = (d, p)
966  return p
967 
968  def __setstate__(self, p):
969  if not hasattr(self, 'this'):
970  self.__init__()
971  if isinstance(p, tuple):
972  d, p = p
973  self.__dict__.update(d)
974  return self._set_from_binary(p)
975 
976 
977 # Register Profile in _IMP_saxs:
978 _IMP_saxs.Profile_swigregister(Profile)
979 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
980 
981 class FitParameters(object):
982  r"""Proxy of C++ IMP::saxs::FitParameters class."""
983 
984  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
985  __repr__ = _swig_repr
986 
987  def __init__(self, *args):
988  r"""
989  __init__(FitParameters self) -> FitParameters
990  __init__(FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
991  __init__(FitParameters self, double chi_square, double c1, double c2) -> FitParameters
992  """
993  _IMP_saxs.FitParameters_swiginit(self, _IMP_saxs.new_FitParameters(*args))
994 
995  def get_score(self):
996  r"""get_score(FitParameters self) -> double"""
997  return _IMP_saxs.FitParameters_get_score(self)
998 
999  def get_chi_square(self):
1000  r"""get_chi_square(FitParameters self) -> double"""
1001  return _IMP_saxs.FitParameters_get_chi_square(self)
1002 
1003  def get_c1(self):
1004  r"""get_c1(FitParameters self) -> double"""
1005  return _IMP_saxs.FitParameters_get_c1(self)
1006 
1007  def get_c2(self):
1008  r"""get_c2(FitParameters self) -> double"""
1009  return _IMP_saxs.FitParameters_get_c2(self)
1010 
1011  def get_scale(self):
1012  r"""get_scale(FitParameters self) -> double"""
1013  return _IMP_saxs.FitParameters_get_scale(self)
1014 
1015  def get_offset(self):
1016  r"""get_offset(FitParameters self) -> double"""
1017  return _IMP_saxs.FitParameters_get_offset(self)
1018 
1019  def get_default_chi_square(self):
1020  r"""get_default_chi_square(FitParameters self) -> double"""
1021  return _IMP_saxs.FitParameters_get_default_chi_square(self)
1022 
1023  def get_pdb_file_name(self):
1024  r"""get_pdb_file_name(FitParameters self) -> std::string"""
1025  return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1026 
1027  def get_profile_file_name(self):
1028  r"""get_profile_file_name(FitParameters self) -> std::string"""
1029  return _IMP_saxs.FitParameters_get_profile_file_name(self)
1030 
1031  def get_mol_index(self):
1032  r"""get_mol_index(FitParameters self) -> int"""
1033  return _IMP_saxs.FitParameters_get_mol_index(self)
1034 
1035  def set_score(self, score):
1036  r"""set_score(FitParameters self, double score)"""
1037  return _IMP_saxs.FitParameters_set_score(self, score)
1038 
1039  def set_chi_square(self, chi_square):
1040  r"""set_chi_square(FitParameters self, double chi_square)"""
1041  return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1042 
1043  def set_default_chi_square(self, chi_square):
1044  r"""set_default_chi_square(FitParameters self, double chi_square)"""
1045  return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1046 
1047  def set_profile_file_name(self, file_name):
1048  r"""set_profile_file_name(FitParameters self, std::string file_name)"""
1049  return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1050 
1051  def set_pdb_file_name(self, file_name):
1052  r"""set_pdb_file_name(FitParameters self, std::string file_name)"""
1053  return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1054 
1055  def set_mol_index(self, index):
1056  r"""set_mol_index(FitParameters self, int index)"""
1057  return _IMP_saxs.FitParameters_set_mol_index(self, index)
1058 
1059  def show(self, s):
1060  r"""show(FitParameters self, _ostream s)"""
1061  return _IMP_saxs.FitParameters_show(self, s)
1062  __swig_destroy__ = _IMP_saxs.delete_FitParameters
1063 
1064 # Register FitParameters in _IMP_saxs:
1065 _IMP_saxs.FitParameters_swigregister(FitParameters)
1066 class WeightedFitParameters(FitParameters):
1067  r"""Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1068 
1069  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1070  __repr__ = _swig_repr
1071 
1072  def __init__(self, *args):
1073  r"""
1074  __init__(WeightedFitParameters self) -> WeightedFitParameters
1075  __init__(WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights=IMP::Vector< double >()) -> WeightedFitParameters
1076  __init__(WeightedFitParameters self, FitParameters fp) -> WeightedFitParameters
1077  """
1078  _IMP_saxs.WeightedFitParameters_swiginit(self, _IMP_saxs.new_WeightedFitParameters(*args))
1079 
1080  def get_weights(self):
1081  r"""get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1082  return _IMP_saxs.WeightedFitParameters_get_weights(self)
1083 
1084  def set_weights(self, weights):
1085  r"""set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1086  return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1087 
1088  def show(self, s):
1089  r"""show(WeightedFitParameters self, _ostream s)"""
1090  return _IMP_saxs.WeightedFitParameters_show(self, s)
1091  __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1092 
1093 # Register WeightedFitParameters in _IMP_saxs:
1094 _IMP_saxs.WeightedFitParameters_swigregister(WeightedFitParameters)
1095 class ChiScore(IMP.Object):
1096  r"""Proxy of C++ IMP::saxs::ChiScore class."""
1097 
1098  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1099 
1100  def __init__(self):
1101  r"""__init__(ChiScore self) -> ChiScore"""
1102  _IMP_saxs.ChiScore_swiginit(self, _IMP_saxs.new_ChiScore())
1103 
1104  def compute_score(self, exp_profile, model_profile, use_offset=False):
1105  r"""compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double"""
1106  return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1107 
1108  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1109  r"""compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1110  return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1111 
1112  def compute_offset(self, exp_profile, model_profile):
1113  r"""compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1114  return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1115 
1116  def get_version_info(self):
1117  r"""get_version_info(ChiScore self) -> VersionInfo"""
1118  return _IMP_saxs.ChiScore_get_version_info(self)
1119  __swig_destroy__ = _IMP_saxs.delete_ChiScore
1120 
1121  def __str__(self):
1122  r"""__str__(ChiScore self) -> std::string"""
1123  return _IMP_saxs.ChiScore___str__(self)
1124 
1125  def __repr__(self):
1126  r"""__repr__(ChiScore self) -> std::string"""
1127  return _IMP_saxs.ChiScore___repr__(self)
1128 
1129  @staticmethod
1130  def get_from(o):
1131  return _object_cast_to_ChiScore(o)
1132 
1133 
1134 # Register ChiScore in _IMP_saxs:
1135 _IMP_saxs.ChiScore_swigregister(ChiScore)
1136 class ChiScoreLog(IMP.Object):
1137  r"""Proxy of C++ IMP::saxs::ChiScoreLog class."""
1138 
1139  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1140 
1141  def __init__(self):
1142  r"""__init__(ChiScoreLog self) -> ChiScoreLog"""
1143  _IMP_saxs.ChiScoreLog_swiginit(self, _IMP_saxs.new_ChiScoreLog())
1144 
1145  def compute_score(self, *args):
1146  r"""
1147  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1148  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1149  """
1150  return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1151 
1152  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1153  r"""compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double"""
1154  return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1155 
1156  def compute_offset(self, exp_profile, model_profile):
1157  r"""compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1158  return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1159 
1160  def get_version_info(self):
1161  r"""get_version_info(ChiScoreLog self) -> VersionInfo"""
1162  return _IMP_saxs.ChiScoreLog_get_version_info(self)
1163  __swig_destroy__ = _IMP_saxs.delete_ChiScoreLog
1164 
1165  def __str__(self):
1166  r"""__str__(ChiScoreLog self) -> std::string"""
1167  return _IMP_saxs.ChiScoreLog___str__(self)
1168 
1169  def __repr__(self):
1170  r"""__repr__(ChiScoreLog self) -> std::string"""
1171  return _IMP_saxs.ChiScoreLog___repr__(self)
1172 
1173  @staticmethod
1174  def get_from(o):
1175  return _object_cast_to_ChiScoreLog(o)
1176 
1177 
1178 # Register ChiScoreLog in _IMP_saxs:
1179 _IMP_saxs.ChiScoreLog_swigregister(ChiScoreLog)
1180 class ProfileFitterChi(IMP.Object):
1181  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScore > class."""
1182 
1183  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1184  __repr__ = _swig_repr
1185 
1186  def __init__(self, *args):
1187  r"""
1188  __init__(ProfileFitterChi self, Profile exp_profile) -> ProfileFitterChi
1189  __init__(ProfileFitterChi self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1190  """
1191  _IMP_saxs.ProfileFitterChi_swiginit(self, _IMP_saxs.new_ProfileFitterChi(*args))
1192 
1193  def compute_score(self, *args):
1194  r"""compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1195  return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1196 
1197  def fit_profile(self, *args):
1198  r"""fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1199  return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1200 
1201  def compute_scale_factor(self, model_profile, offset=0.0):
1202  r"""compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double"""
1203  return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1204 
1205  def compute_offset(self, model_profile):
1206  r"""compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1207  return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1208 
1209  def resample(self, model_profile, resampled_profile):
1210  r"""resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1211  return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1212 
1213  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1214  r"""write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1215  return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1216 
1217  def get_profile(self):
1218  r"""get_profile(ProfileFitterChi self) -> Profile"""
1219  return _IMP_saxs.ProfileFitterChi_get_profile(self)
1220  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1221 
1222 # Register ProfileFitterChi in _IMP_saxs:
1223 _IMP_saxs.ProfileFitterChi_swigregister(ProfileFitterChi)
1224 class WeightedProfileFitterChi(ProfileFitterChi):
1225  r"""Proxy of C++ IMP::saxs::WeightedProfileFitter< IMP::saxs::ChiScore > class."""
1226 
1227  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1228  __repr__ = _swig_repr
1229 
1230  def __init__(self, exp_profile):
1231  r"""__init__(WeightedProfileFitterChi self, Profile exp_profile) -> WeightedProfileFitterChi"""
1232  _IMP_saxs.WeightedProfileFitterChi_swiginit(self, _IMP_saxs.new_WeightedProfileFitterChi(exp_profile))
1233 
1234  def compute_score(self, profiles, use_offset=False, NNLS=True):
1235  r"""compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, bool use_offset=False, bool NNLS=True) -> double"""
1236  return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, use_offset, NNLS)
1237 
1238  def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0, use_offset=False):
1239  r"""fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> WeightedFitParameters"""
1240  return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1241 
1242  def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1243  r"""write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)"""
1244  return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1245  __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1246 
1247 # Register WeightedProfileFitterChi in _IMP_saxs:
1248 _IMP_saxs.WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1249 class Restraint(IMP.Restraint):
1250  r"""Proxy of C++ IMP::saxs::Restraint class."""
1251 
1252  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1253 
1254  def __init__(self, *args):
1255  r"""
1256  __init__(Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type=HEAVY_ATOMS) -> Restraint
1257  __init__(Restraint self) -> Restraint
1258  """
1259  _IMP_saxs.Restraint_swiginit(self, _IMP_saxs.new_Restraint(*args))
1260 
1261  if self.__class__ != Restraint:
1262  _director_objects.register(self)
1263 
1264 
1265 
1266 
1267  def do_get_inputs(self):
1268  r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1269  return _IMP_saxs.Restraint_do_get_inputs(self)
1270 
1271  def get_version_info(self):
1272  r"""get_version_info(Restraint self) -> VersionInfo"""
1273  return _IMP_saxs.Restraint_get_version_info(self)
1274  __swig_destroy__ = _IMP_saxs.delete_Restraint
1275 
1276  def __str__(self):
1277  r"""__str__(Restraint self) -> std::string"""
1278  return _IMP_saxs.Restraint___str__(self)
1279 
1280  def __repr__(self):
1281  r"""__repr__(Restraint self) -> std::string"""
1282  return _IMP_saxs.Restraint___repr__(self)
1283 
1284  @staticmethod
1285  def get_from(o):
1286  return _object_cast_to_Restraint(o)
1287 
1288 
1289  def _get_as_binary(self):
1290  r"""_get_as_binary(Restraint self) -> PyObject *"""
1291  return _IMP_saxs.Restraint__get_as_binary(self)
1292 
1293  def _set_from_binary(self, p):
1294  r"""_set_from_binary(Restraint self, PyObject * p)"""
1295  return _IMP_saxs.Restraint__set_from_binary(self, p)
1296 
1297  def __getstate__(self):
1298  p = self._get_as_binary()
1299  if len(self.__dict__) > 1:
1300  d = self.__dict__.copy()
1301  del d['this']
1302  p = (d, p)
1303  return p
1304 
1305  def __setstate__(self, p):
1306  if not hasattr(self, 'this'):
1307  self.__init__()
1308  if isinstance(p, tuple):
1309  d, p = p
1310  self.__dict__.update(d)
1311  return self._set_from_binary(p)
1312 
1313 
1314 # Register Restraint in _IMP_saxs:
1315 _IMP_saxs.Restraint_swigregister(Restraint)
1316 class RadiusOfGyrationRestraint(Restraint):
1317  r"""Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1318 
1319  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1320  __repr__ = _swig_repr
1321 
1322  def __init__(self, particles, exp_profile, end_q_rg=1.3):
1323  r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint"""
1324  _IMP_saxs.RadiusOfGyrationRestraint_swiginit(self, _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg))
1325  __swig_destroy__ = _IMP_saxs.delete_RadiusOfGyrationRestraint
1326 
1327 # Register RadiusOfGyrationRestraint in _IMP_saxs:
1328 _IMP_saxs.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1329 class FloatDistribution(DistBase):
1330  r"""Proxy of C++ IMP::saxs::Distribution< double > class."""
1331 
1332  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1333  __repr__ = _swig_repr
1334 
1335  def __init__(self, *args):
1336  r"""__init__(FloatDistribution self, double bin_size=pr_resolution) -> FloatDistribution"""
1337  _IMP_saxs.FloatDistribution_swiginit(self, _IMP_saxs.new_FloatDistribution(*args))
1338 
1339  def get_max_distance(self):
1340  r"""get_max_distance(FloatDistribution self) -> double"""
1341  return _IMP_saxs.FloatDistribution_get_max_distance(self)
1342 
1343  def get_bin_size(self):
1344  r"""get_bin_size(FloatDistribution self) -> double"""
1345  return _IMP_saxs.FloatDistribution_get_bin_size(self)
1346 
1347  def get_index_from_distance(self, dist):
1348  r"""get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1349  return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1350 
1351  def get_distance_from_index(self, index):
1352  r"""get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1353  return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1354  __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1355 
1356 # Register FloatDistribution in _IMP_saxs:
1357 _IMP_saxs.FloatDistribution_swigregister(FloatDistribution)
1358 class VectorDistribution(object):
1359  r"""Proxy of C++ IMP::saxs::Distribution< IMP::algebra::Vector3D > class."""
1360 
1361  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1362  __repr__ = _swig_repr
1363 
1364  def __init__(self, *args):
1365  r"""__init__(VectorDistribution self, double bin_size=pr_resolution) -> VectorDistribution"""
1366  _IMP_saxs.VectorDistribution_swiginit(self, _IMP_saxs.new_VectorDistribution(*args))
1367 
1368  def get_max_distance(self):
1369  r"""get_max_distance(VectorDistribution self) -> double"""
1370  return _IMP_saxs.VectorDistribution_get_max_distance(self)
1371 
1372  def get_bin_size(self):
1373  r"""get_bin_size(VectorDistribution self) -> double"""
1374  return _IMP_saxs.VectorDistribution_get_bin_size(self)
1375 
1376  def get_index_from_distance(self, dist):
1377  r"""get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1378  return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1379 
1380  def get_distance_from_index(self, index):
1381  r"""get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1382  return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1383  __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1384 
1385 # Register VectorDistribution in _IMP_saxs:
1386 _IMP_saxs.VectorDistribution_swigregister(VectorDistribution)
1387 class RadialDistributionFunction(FloatDistribution):
1388  r"""Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1389 
1390  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1391  __repr__ = _swig_repr
1392 
1393  def __init__(self, *args):
1394  r"""
1395  __init__(RadialDistributionFunction self, double bin_size=pr_resolution) -> RadialDistributionFunction
1396  __init__(RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1397  """
1398  _IMP_saxs.RadialDistributionFunction_swiginit(self, _IMP_saxs.new_RadialDistributionFunction(*args))
1399 
1400  def get_square_root_distances(self):
1401  r"""get_square_root_distances(RadialDistributionFunction self) -> DistBase"""
1402  return _IMP_saxs.RadialDistributionFunction_get_square_root_distances(self)
1403 
1404  def scale(self, c):
1405  r"""scale(RadialDistributionFunction self, double c)"""
1406  return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1407 
1408  def add(self, model_pr):
1409  r"""add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1410  return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1411 
1412  def show(self, *args):
1413  r"""show(RadialDistributionFunction self, _ostream out=std::cout)"""
1414  return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1415 
1416  def R_factor_score(self, *args):
1417  r"""R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1418  return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1419 
1420  def fit(self, *args):
1421  r"""fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name="") -> double"""
1422  return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1423 
1424  def normalize(self):
1425  r"""normalize(RadialDistributionFunction self)"""
1426  return _IMP_saxs.RadialDistributionFunction_normalize(self)
1427 
1428  def add_to_distribution(self, dist, value):
1429  r"""add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1430  return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1431  __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1432 
1433 # Register RadialDistributionFunction in _IMP_saxs:
1434 _IMP_saxs.RadialDistributionFunction_swigregister(RadialDistributionFunction)
1435 class DeltaDistributionFunction(VectorDistribution):
1436  r"""Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1437 
1438  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1439  __repr__ = _swig_repr
1440 
1441  def __init__(self, *args):
1442  r"""__init__(DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size=pr_resolution) -> DeltaDistributionFunction"""
1443  _IMP_saxs.DeltaDistributionFunction_swiginit(self, _IMP_saxs.new_DeltaDistributionFunction(*args))
1444 
1445  def calculate_derivative_distribution(self, particle):
1446  r"""calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1447  return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1448 
1449  def show(self, *args):
1450  r"""show(DeltaDistributionFunction self, _ostream out=std::cout, std::string prefix="")"""
1451  return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1452  __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1453 
1454 # Register DeltaDistributionFunction in _IMP_saxs:
1455 _IMP_saxs.DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1456 class SolventAccessibleSurface(object):
1457  r"""Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1458 
1459  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1460  __repr__ = _swig_repr
1461 
1462  def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1463  r"""get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >"""
1464  return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1465 
1466  def __init__(self):
1467  r"""__init__(SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1468  _IMP_saxs.SolventAccessibleSurface_swiginit(self, _IMP_saxs.new_SolventAccessibleSurface())
1469  __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1470 
1471 # Register SolventAccessibleSurface in _IMP_saxs:
1472 _IMP_saxs.SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1473 class ProfileFitterChiLog(IMP.Object):
1474  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::ChiScoreLog > class."""
1475 
1476  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1477  __repr__ = _swig_repr
1478 
1479  def __init__(self, *args):
1480  r"""
1481  __init__(ProfileFitterChiLog self, Profile exp_profile) -> ProfileFitterChiLog
1482  __init__(ProfileFitterChiLog self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1483  """
1484  _IMP_saxs.ProfileFitterChiLog_swiginit(self, _IMP_saxs.new_ProfileFitterChiLog(*args))
1485 
1486  def compute_score(self, *args):
1487  r"""compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1488  return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1489 
1490  def fit_profile(self, *args):
1491  r"""fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1492  return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1493 
1494  def compute_scale_factor(self, model_profile, offset=0.0):
1495  r"""compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double"""
1496  return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1497 
1498  def compute_offset(self, model_profile):
1499  r"""compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1500  return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1501 
1502  def resample(self, model_profile, resampled_profile):
1503  r"""resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1504  return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1505 
1506  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1507  r"""write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1508  return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1509 
1510  def get_profile(self):
1511  r"""get_profile(ProfileFitterChiLog self) -> Profile"""
1512  return _IMP_saxs.ProfileFitterChiLog_get_profile(self)
1513  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1514 
1515 # Register ProfileFitterChiLog in _IMP_saxs:
1516 _IMP_saxs.ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1517 class ProfileFitterRatioVolatility(IMP.Object):
1518  r"""Proxy of C++ IMP::saxs::ProfileFitter< IMP::saxs::RatioVolatilityScore > class."""
1519 
1520  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1521  __repr__ = _swig_repr
1522 
1523  def __init__(self, *args):
1524  r"""
1525  __init__(ProfileFitterRatioVolatility self, Profile exp_profile) -> ProfileFitterRatioVolatility
1526  __init__(ProfileFitterRatioVolatility self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1527  """
1528  _IMP_saxs.ProfileFitterRatioVolatility_swiginit(self, _IMP_saxs.new_ProfileFitterRatioVolatility(*args))
1529 
1530  def compute_score(self, *args):
1531  r"""compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name="") -> double"""
1532  return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1533 
1534  def fit_profile(self, *args):
1535  r"""fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name="") -> FitParameters"""
1536  return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1537 
1538  def compute_scale_factor(self, model_profile, offset=0.0):
1539  r"""compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double"""
1540  return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1541 
1542  def compute_offset(self, model_profile):
1543  r"""compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1544  return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1545 
1546  def resample(self, model_profile, resampled_profile):
1547  r"""resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1548  return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1549 
1550  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1551  r"""write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)"""
1552  return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1553 
1554  def get_profile(self):
1555  r"""get_profile(ProfileFitterRatioVolatility self) -> Profile"""
1556  return _IMP_saxs.ProfileFitterRatioVolatility_get_profile(self)
1557  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1558 
1559 # Register ProfileFitterRatioVolatility in _IMP_saxs:
1560 _IMP_saxs.ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1561 
1562 def get_module_version():
1563  r"""get_module_version() -> std::string const"""
1564  return _IMP_saxs.get_module_version()
1565 
1566 def get_example_path(fname):
1567  r"""get_example_path(std::string fname) -> std::string"""
1568  return _IMP_saxs.get_example_path(fname)
1569 
1570 def get_data_path(fname):
1571  r"""get_data_path(std::string fname) -> std::string"""
1572  return _IMP_saxs.get_data_path(fname)
1573 
1574 from . import _version_check
1575 _version_check.check_version(get_module_version())
1576 __version__ = get_module_version()
1577 
1578 
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
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