10 from __future__
import print_function, division, absolute_import
15 from sys
import version_info
as _swig_python_version_info
16 if _swig_python_version_info >= (2, 7, 0):
17 def swig_import_helper():
19 pkg = __name__.rpartition(
'.')[0]
20 mname =
'.'.join((pkg,
'_IMP_saxs')).lstrip(
'.')
22 return importlib.import_module(mname)
24 return importlib.import_module(
'_IMP_saxs')
25 _IMP_saxs = swig_import_helper()
26 del swig_import_helper
27 elif _swig_python_version_info >= (2, 6, 0):
28 def swig_import_helper():
29 from os.path
import dirname
33 fp, pathname, description = imp.find_module(
'_IMP_saxs', [dirname(__file__)])
39 _mod = imp.load_module(
'_IMP_saxs', fp, pathname, description)
43 _IMP_saxs = swig_import_helper()
44 del swig_import_helper
47 del _swig_python_version_info
49 _swig_property = property
54 import builtins
as __builtin__
58 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
59 if (name ==
"thisown"):
60 return self.this.own(value)
62 if type(value).__name__ ==
'SwigPyObject':
63 self.__dict__[name] = value
65 method = class_type.__swig_setmethods__.get(name,
None)
67 return method(self, value)
69 object.__setattr__(self, name, value)
71 raise AttributeError(
"You cannot add attributes to %s" % self)
74 def _swig_setattr(self, class_type, name, value):
75 return _swig_setattr_nondynamic(self, class_type, name, value, 0)
78 def _swig_getattr(self, class_type, name):
79 if (name ==
"thisown"):
80 return self.this.own()
81 method = class_type.__swig_getmethods__.get(name,
None)
84 raise AttributeError(
"'%s' object has no attribute '%s'" % (class_type.__name__, name))
89 strthis =
"proxy of " + self.this.__repr__()
90 except __builtin__.Exception:
92 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
95 def _swig_setattr_nondynamic_method(set):
96 def set_attr(self, name, value):
97 if (name ==
"thisown"):
98 return self.this.own(value)
99 if hasattr(self, name)
or (name ==
"this"):
100 set(self, name, value)
102 raise AttributeError(
"You cannot add attributes to %s" % self)
108 weakref_proxy = weakref.proxy
109 except __builtin__.Exception:
110 weakref_proxy =
lambda x: x
113 class IMP_SAXS_SwigPyIterator(object):
114 """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
116 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
118 def __init__(self, *args, **kwargs):
119 raise AttributeError(
"No constructor defined - class is abstract")
120 __repr__ = _swig_repr
121 __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
122 __del__ =
lambda self:
None
125 """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
126 return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
131 incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
132 incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
134 return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
139 decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
140 decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
142 return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
145 def distance(self, x):
146 """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
147 return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
151 """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
152 return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
156 """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
157 return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
161 """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
162 return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
166 """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
167 return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
171 """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
172 return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
175 def advance(self, n):
176 """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
177 return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
181 """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
182 return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
186 """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
187 return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
190 def __iadd__(self, n):
191 """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
192 return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
195 def __isub__(self, n):
196 """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
197 return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
200 def __add__(self, n):
201 """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
202 return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
205 def __sub__(self, *args):
207 __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
208 __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
210 return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
214 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
215 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
223 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
224 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
225 IMP_SILENT = _IMP_saxs.IMP_SILENT
226 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
227 IMP_TERSE = _IMP_saxs.IMP_TERSE
228 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
229 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
230 IMP_NONE = _IMP_saxs.IMP_NONE
231 IMP_USAGE = _IMP_saxs.IMP_USAGE
232 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
233 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
234 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
235 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
236 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR
237 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
238 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
239 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
240 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
241 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
244 class _DirectorObjects(object):
245 """@internal Simple class to keep references to director objects
246 to prevent premature deletion."""
249 def register(self, obj):
250 """Take a reference to a director object; will only work for
251 refcounted C++ classes"""
252 if hasattr(obj,
'get_ref_count'):
253 self._objects.append(obj)
255 """Only drop our reference and allow cleanup by Python if no other
256 Python references exist (we hold 3 references: one in self._objects,
257 one in x, and one in the argument list for getrefcount) *and* no
258 other C++ references exist (the Python object always holds one)"""
259 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
260 or x.get_ref_count() > 1]
264 def get_object_count(self):
265 """Get number of director objects (useful for testing only)"""
266 return len(self._objects)
267 _director_objects = _DirectorObjects()
269 class _ostream(object):
270 """Proxy of C++ std::ostream class."""
272 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
274 def __init__(self, *args, **kwargs):
275 raise AttributeError(
"No constructor defined")
276 __repr__ = _swig_repr
278 def write(self, osa_buf):
279 """write(_ostream self, char const * osa_buf)"""
280 return _IMP_saxs._ostream_write(self, osa_buf)
282 _ostream_swigregister = _IMP_saxs._ostream_swigregister
283 _ostream_swigregister(_ostream)
285 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
286 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
287 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
289 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
290 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
291 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
292 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
293 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
295 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
296 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
297 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
298 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
299 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
300 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
301 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
302 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
304 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
305 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
306 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
307 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
308 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
309 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
310 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
312 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
313 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
314 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
315 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
316 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
317 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
318 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
319 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
321 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
322 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
323 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
324 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
325 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
326 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
327 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
328 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
329 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
331 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
332 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
333 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
334 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
335 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
336 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
337 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
338 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
339 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
340 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
341 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
342 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
344 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
345 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
346 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
347 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
348 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
349 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
350 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
351 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
352 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
353 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
354 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
355 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
356 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
358 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
359 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
360 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
361 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
362 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
363 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
364 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
365 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
366 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
367 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
368 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
369 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
370 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
371 class DistBase(object):
372 """Proxy of C++ std::vector<(double)> class."""
374 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
375 __repr__ = _swig_repr
378 """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
379 return _IMP_saxs.DistBase_iterator(self)
382 return self.iterator()
384 def __nonzero__(self):
385 """__nonzero__(DistBase self) -> bool"""
386 return _IMP_saxs.DistBase___nonzero__(self)
390 """__bool__(DistBase self) -> bool"""
391 return _IMP_saxs.DistBase___bool__(self)
395 """__len__(DistBase self) -> std::vector< double >::size_type"""
396 return _IMP_saxs.DistBase___len__(self)
399 def __getslice__(self, i, j):
400 """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
401 return _IMP_saxs.DistBase___getslice__(self, i, j)
404 def __setslice__(self, *args):
406 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
407 __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
409 return _IMP_saxs.DistBase___setslice__(self, *args)
412 def __delslice__(self, i, j):
413 """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
414 return _IMP_saxs.DistBase___delslice__(self, i, j)
417 def __delitem__(self, *args):
419 __delitem__(DistBase self, std::vector< double >::difference_type i)
420 __delitem__(DistBase self, PySliceObject * slice)
422 return _IMP_saxs.DistBase___delitem__(self, *args)
425 def __getitem__(self, *args):
427 __getitem__(DistBase self, PySliceObject * slice) -> DistBase
428 __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
430 return _IMP_saxs.DistBase___getitem__(self, *args)
433 def __setitem__(self, *args):
435 __setitem__(DistBase self, PySliceObject * slice, DistBase v)
436 __setitem__(DistBase self, PySliceObject * slice)
437 __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
439 return _IMP_saxs.DistBase___setitem__(self, *args)
443 """pop(DistBase self) -> std::vector< double >::value_type"""
444 return _IMP_saxs.DistBase_pop(self)
448 """append(DistBase self, std::vector< double >::value_type const & x)"""
449 return _IMP_saxs.DistBase_append(self, x)
453 """empty(DistBase self) -> bool"""
454 return _IMP_saxs.DistBase_empty(self)
458 """size(DistBase self) -> std::vector< double >::size_type"""
459 return _IMP_saxs.DistBase_size(self)
463 """swap(DistBase self, DistBase v)"""
464 return _IMP_saxs.DistBase_swap(self, v)
468 """begin(DistBase self) -> std::vector< double >::iterator"""
469 return _IMP_saxs.DistBase_begin(self)
473 """end(DistBase self) -> std::vector< double >::iterator"""
474 return _IMP_saxs.DistBase_end(self)
478 """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
479 return _IMP_saxs.DistBase_rbegin(self)
483 """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
484 return _IMP_saxs.DistBase_rend(self)
488 """clear(DistBase self)"""
489 return _IMP_saxs.DistBase_clear(self)
492 def get_allocator(self):
493 """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
494 return _IMP_saxs.DistBase_get_allocator(self)
498 """pop_back(DistBase self)"""
499 return _IMP_saxs.DistBase_pop_back(self)
502 def erase(self, *args):
504 erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
505 erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
507 return _IMP_saxs.DistBase_erase(self, *args)
512 __init__(std::vector<(double)> self) -> DistBase
513 __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
514 __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
515 __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
517 this = _IMP_saxs.new_DistBase(*args)
519 self.this.append(this)
520 except __builtin__.Exception:
523 def push_back(self, x):
524 """push_back(DistBase self, std::vector< double >::value_type const & x)"""
525 return _IMP_saxs.DistBase_push_back(self, x)
529 """front(DistBase self) -> std::vector< double >::value_type const &"""
530 return _IMP_saxs.DistBase_front(self)
534 """back(DistBase self) -> std::vector< double >::value_type const &"""
535 return _IMP_saxs.DistBase_back(self)
538 def assign(self, n, x):
539 """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
540 return _IMP_saxs.DistBase_assign(self, n, x)
543 def resize(self, *args):
545 resize(DistBase self, std::vector< double >::size_type new_size)
546 resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
548 return _IMP_saxs.DistBase_resize(self, *args)
551 def insert(self, *args):
553 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
554 insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
556 return _IMP_saxs.DistBase_insert(self, *args)
559 def reserve(self, n):
560 """reserve(DistBase self, std::vector< double >::size_type n)"""
561 return _IMP_saxs.DistBase_reserve(self, n)
565 """capacity(DistBase self) -> std::vector< double >::size_type"""
566 return _IMP_saxs.DistBase_capacity(self)
568 __swig_destroy__ = _IMP_saxs.delete_DistBase
569 __del__ =
lambda self:
None
570 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
571 DistBase_swigregister(DistBase)
574 _object_types.append(
"Profile")
577 def _object_cast_to_Profile(o):
578 """_object_cast_to_Profile(Object o) -> Profile"""
579 return _IMP_saxs._object_cast_to_Profile(o)
581 _object_types.append(
"ChiScore")
584 def _object_cast_to_ChiScore(o):
585 """_object_cast_to_ChiScore(Object o) -> ChiScore"""
586 return _IMP_saxs._object_cast_to_ChiScore(o)
588 _object_types.append(
"ChiScoreLog")
591 def _object_cast_to_ChiScoreLog(o):
592 """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
593 return _IMP_saxs._object_cast_to_ChiScoreLog(o)
594 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
595 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
596 CA_ATOMS = _IMP_saxs.CA_ATOMS
597 RESIDUES = _IMP_saxs.RESIDUES
598 class FormFactorTable(object):
599 """Proxy of C++ IMP::saxs::FormFactorTable class."""
601 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
602 __repr__ = _swig_repr
606 __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
607 __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
609 this = _IMP_saxs.new_FormFactorTable(*args)
611 self.this.append(this)
612 except __builtin__.Exception:
615 def get_form_factor(self, *args):
617 get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
618 get_form_factor(FormFactorTable self, Particle p) -> double
620 return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
623 def get_vacuum_form_factor(self, *args):
625 get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
626 get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
628 return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
631 def get_dummy_form_factor(self, *args):
633 get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
634 get_dummy_form_factor(FormFactorTable self, Particle p) -> double
636 return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
639 def get_water_form_factor(self):
640 """get_water_form_factor(FormFactorTable self) -> double"""
641 return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
644 def get_vacuum_water_form_factor(self):
645 """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
646 return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
649 def get_dummy_water_form_factor(self):
650 """get_dummy_water_form_factor(FormFactorTable self) -> double"""
651 return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
654 def get_form_factors(self, *args):
656 get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
657 get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
659 return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
662 def get_vacuum_form_factors(self, *args):
664 get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
665 get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
667 return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
670 def get_dummy_form_factors(self, *args):
672 get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
673 get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
675 return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
678 def get_water_form_factors(self):
679 """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
680 return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
683 def get_water_vacuum_form_factors(self):
684 """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
685 return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
688 def get_water_dummy_form_factors(self):
689 """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
690 return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
693 def get_radius(self, *args):
695 get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
696 get_radius(FormFactorTable self, Particle p) -> double
698 return _IMP_saxs.FormFactorTable_get_radius(self, *args)
703 get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
704 get_volume(FormFactorTable self, Particle p) -> double
706 return _IMP_saxs.FormFactorTable_get_volume(self, *args)
709 def show(self, *args):
711 show(FormFactorTable self, _ostream out, std::string prefix)
712 show(FormFactorTable self, _ostream out)
713 show(FormFactorTable self)
715 return _IMP_saxs.FormFactorTable_show(self, *args)
717 rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
718 __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
719 __del__ =
lambda self:
None
720 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
721 FormFactorTable_swigregister(FormFactorTable)
722 cvar = _IMP_saxs.cvar
726 """get_default_form_factor_table() -> FormFactorTable"""
727 return _IMP_saxs.get_default_form_factor_table()
729 """Proxy of C++ IMP::saxs::Profile class."""
731 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
735 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
736 __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
737 __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
738 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
739 __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
740 __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
741 __init__(IMP::saxs::Profile self) -> Profile
743 this = _IMP_saxs.new_Profile(*args)
745 self.this.append(this)
746 except __builtin__.Exception:
749 def calculate_profile_partial(self, *args):
751 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
752 calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
753 calculate_profile_partial(Profile self, IMP::Particles const & particles)
754 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2, IMP::saxs::FormFactorType ff_type)
755 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
756 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
757 calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
759 return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
762 def calculate_profile_reciprocal_partial(self, *args):
764 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
765 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
766 calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
768 return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
771 def calculate_profile(self, *args):
773 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
774 calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
775 calculate_profile(Profile self, IMP::Particles const & particles)
776 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
777 calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
779 return _IMP_saxs.Profile_calculate_profile(self, *args)
782 def calculate_I0(self, *args):
784 calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
785 calculate_I0(Profile self, IMP::Particles const & particles) -> double
787 return _IMP_saxs.Profile_calculate_I0(self, *args)
790 def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
792 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
793 calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
795 return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
798 def calculate_profile_symmetric(self, *args):
800 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
801 calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
803 return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
806 def profile_2_distribution(self, rd, max_distance):
807 """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
808 return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
811 def distribution_2_profile(self, r_dist):
812 """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
813 return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
816 def resample(self, exp_profile, resampled_profile):
817 """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
818 return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
821 def downsample(self, downsampled_profile, point_number):
822 """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
823 return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
828 radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
829 radius_of_gyration(Profile self) -> double
831 return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
834 def mean_intensity(self):
835 """mean_intensity(Profile self) -> double"""
836 return _IMP_saxs.Profile_mean_intensity(self)
839 def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0):
841 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
842 read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
843 read_SAXS_file(Profile self, std::string const & file_name)
845 return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q)
848 def write_SAXS_file(self, file_name, max_q=0.0):
850 write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
851 write_SAXS_file(Profile self, std::string const & file_name)
853 return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
856 def read_partial_profiles(self, file_name):
857 """read_partial_profiles(Profile self, std::string const & file_name)"""
858 return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
861 def write_partial_profiles(self, file_name):
862 """write_partial_profiles(Profile self, std::string const & file_name)"""
863 return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
866 def get_delta_q(self):
867 """get_delta_q(Profile self) -> double"""
868 return _IMP_saxs.Profile_get_delta_q(self)
872 """get_min_q(Profile self) -> double"""
873 return _IMP_saxs.Profile_get_min_q(self)
877 """get_max_q(Profile self) -> double"""
878 return _IMP_saxs.Profile_get_max_q(self)
881 def get_intensity(self, i):
882 """get_intensity(Profile self, unsigned int i) -> double"""
883 return _IMP_saxs.Profile_get_intensity(self, i)
887 """get_q(Profile self, unsigned int i) -> double"""
888 return _IMP_saxs.Profile_get_q(self, i)
891 def get_error(self, i):
892 """get_error(Profile self, unsigned int i) -> double"""
893 return _IMP_saxs.Profile_get_error(self, i)
896 def get_weight(self, i):
897 """get_weight(Profile self, unsigned int i) -> double"""
898 return _IMP_saxs.Profile_get_weight(self, i)
902 """get_qs(Profile self) -> IMP_Eigen::VectorXf const &"""
903 return _IMP_saxs.Profile_get_qs(self)
906 def get_intensities(self):
907 """get_intensities(Profile self) -> IMP_Eigen::VectorXf const &"""
908 return _IMP_saxs.Profile_get_intensities(self)
911 def get_errors(self):
912 """get_errors(Profile self) -> IMP_Eigen::VectorXf const &"""
913 return _IMP_saxs.Profile_get_errors(self)
916 def get_average_radius(self):
917 """get_average_radius(Profile self) -> double"""
918 return _IMP_saxs.Profile_get_average_radius(self)
922 """size(Profile self) -> unsigned int"""
923 return _IMP_saxs.Profile_size(self)
926 def is_uniform_sampling(self):
927 """is_uniform_sampling(Profile self) -> bool"""
928 return _IMP_saxs.Profile_is_uniform_sampling(self)
931 def is_partial_profile(self):
932 """is_partial_profile(Profile self) -> bool"""
933 return _IMP_saxs.Profile_is_partial_profile(self)
937 """get_name(Profile self) -> std::string"""
938 return _IMP_saxs.Profile_get_name(self)
942 """get_id(Profile self) -> unsigned int"""
943 return _IMP_saxs.Profile_get_id(self)
947 """set_qs(Profile self, IMP_Eigen::VectorXf const & q)"""
948 return _IMP_saxs.Profile_set_qs(self, q)
951 def set_intensities(self, i):
952 """set_intensities(Profile self, IMP_Eigen::VectorXf const & i)"""
953 return _IMP_saxs.Profile_set_intensities(self, i)
956 def set_errors(self, e):
957 """set_errors(Profile self, IMP_Eigen::VectorXf const & e)"""
958 return _IMP_saxs.Profile_set_errors(self, e)
961 def set_intensity(self, i, iq):
962 """set_intensity(Profile self, unsigned int i, double iq)"""
963 return _IMP_saxs.Profile_set_intensity(self, i, iq)
966 def set_ff_table(self, ff_table):
967 """set_ff_table(Profile self, FormFactorTable ff_table)"""
968 return _IMP_saxs.Profile_set_ff_table(self, ff_table)
971 def set_average_radius(self, r):
972 """set_average_radius(Profile self, double r)"""
973 return _IMP_saxs.Profile_set_average_radius(self, r)
976 def set_average_volume(self, v):
977 """set_average_volume(Profile self, double v)"""
978 return _IMP_saxs.Profile_set_average_volume(self, v)
981 def set_name(self, name):
982 """set_name(Profile self, std::string name)"""
983 return _IMP_saxs.Profile_set_name(self, name)
986 def set_id(self, id):
987 """set_id(Profile self, unsigned int id)"""
988 return _IMP_saxs.Profile_set_id(self, id)
991 def set_beam_profile(self, beam_profile_file):
992 """set_beam_profile(Profile self, std::string beam_profile_file)"""
993 return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
996 def add_errors(self):
997 """add_errors(Profile self)"""
998 return _IMP_saxs.Profile_add_errors(self)
1001 def add_noise(self, percentage=0.03):
1003 add_noise(Profile self, double percentage=0.03)
1004 add_noise(Profile self)
1006 return _IMP_saxs.Profile_add_noise(self, percentage)
1009 def sum_partial_profiles(self, c1, c2, check_cashed=True):
1011 sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1012 sum_partial_profiles(Profile self, double c1, double c2)
1014 return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1017 def add(self, *args):
1019 add(Profile self, Profile other_profile, double weight=1.0)
1020 add(Profile self, Profile other_profile)
1021 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1022 add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1024 return _IMP_saxs.Profile_add(self, *args)
1027 def add_partial_profiles(self, *args):
1029 add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1030 add_partial_profiles(Profile self, Profile other_profile)
1031 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1032 add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1034 return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1037 def background_adjust(self, start_q):
1038 """background_adjust(Profile self, double start_q)"""
1039 return _IMP_saxs.Profile_background_adjust(self, start_q)
1043 """scale(Profile self, double c)"""
1044 return _IMP_saxs.Profile_scale(self, c)
1047 def offset(self, c):
1048 """offset(Profile self, double c)"""
1049 return _IMP_saxs.Profile_offset(self, c)
1052 def copy_errors(self, exp_profile):
1053 """copy_errors(Profile self, Profile exp_profile)"""
1054 return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1057 def get_version_info(self):
1058 """get_version_info(Profile self) -> VersionInfo"""
1059 return _IMP_saxs.Profile_get_version_info(self)
1063 """__str__(Profile self) -> std::string"""
1064 return _IMP_saxs.Profile___str__(self)
1068 """__repr__(Profile self) -> std::string"""
1069 return _IMP_saxs.Profile___repr__(self)
1074 return _object_cast_to_Profile(o)
1076 Profile_swigregister = _IMP_saxs.Profile_swigregister
1077 Profile_swigregister(Profile)
1078 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1080 class FitParameters(object):
1081 """Proxy of C++ IMP::saxs::FitParameters class."""
1083 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1084 __repr__ = _swig_repr
1088 __init__(IMP::saxs::FitParameters self) -> FitParameters
1089 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2, double c, double o) -> FitParameters
1090 __init__(IMP::saxs::FitParameters self, double chi, double c1, double c2) -> FitParameters
1092 this = _IMP_saxs.new_FitParameters(*args)
1094 self.this.append(this)
1095 except __builtin__.Exception:
1098 def get_score(self):
1099 """get_score(FitParameters self) -> double"""
1100 return _IMP_saxs.FitParameters_get_score(self)
1104 """get_chi(FitParameters self) -> double"""
1105 return _IMP_saxs.FitParameters_get_chi(self)
1109 """get_c1(FitParameters self) -> double"""
1110 return _IMP_saxs.FitParameters_get_c1(self)
1114 """get_c2(FitParameters self) -> double"""
1115 return _IMP_saxs.FitParameters_get_c2(self)
1118 def get_scale(self):
1119 """get_scale(FitParameters self) -> double"""
1120 return _IMP_saxs.FitParameters_get_scale(self)
1123 def get_offset(self):
1124 """get_offset(FitParameters self) -> double"""
1125 return _IMP_saxs.FitParameters_get_offset(self)
1128 def get_default_chi(self):
1129 """get_default_chi(FitParameters self) -> double"""
1130 return _IMP_saxs.FitParameters_get_default_chi(self)
1133 def get_pdb_file_name(self):
1134 """get_pdb_file_name(FitParameters self) -> std::string"""
1135 return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1138 def get_profile_file_name(self):
1139 """get_profile_file_name(FitParameters self) -> std::string"""
1140 return _IMP_saxs.FitParameters_get_profile_file_name(self)
1143 def get_mol_index(self):
1144 """get_mol_index(FitParameters self) -> int"""
1145 return _IMP_saxs.FitParameters_get_mol_index(self)
1148 def set_chi(self, chi):
1149 """set_chi(FitParameters self, double chi)"""
1150 return _IMP_saxs.FitParameters_set_chi(self, chi)
1153 def set_default_chi(self, chi):
1154 """set_default_chi(FitParameters self, double chi)"""
1155 return _IMP_saxs.FitParameters_set_default_chi(self, chi)
1158 def set_profile_file_name(self, file_name):
1159 """set_profile_file_name(FitParameters self, std::string file_name)"""
1160 return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1163 def set_pdb_file_name(self, file_name):
1164 """set_pdb_file_name(FitParameters self, std::string file_name)"""
1165 return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1168 def set_mol_index(self, index):
1169 """set_mol_index(FitParameters self, int index)"""
1170 return _IMP_saxs.FitParameters_set_mol_index(self, index)
1174 """show(FitParameters self, _ostream s)"""
1175 return _IMP_saxs.FitParameters_show(self, s)
1177 __swig_destroy__ = _IMP_saxs.delete_FitParameters
1178 __del__ =
lambda self:
None
1179 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1180 FitParameters_swigregister(FitParameters)
1182 class WeightedFitParameters(FitParameters):
1183 """Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1185 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1186 __repr__ = _swig_repr
1190 __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1191 __init__(IMP::saxs::WeightedFitParameters self, double chi, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1193 this = _IMP_saxs.new_WeightedFitParameters(*args)
1195 self.this.append(this)
1196 except __builtin__.Exception:
1199 def get_weights(self):
1200 """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1201 return _IMP_saxs.WeightedFitParameters_get_weights(self)
1204 def set_weights(self, weights):
1205 """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1206 return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1210 """show(WeightedFitParameters self, _ostream s)"""
1211 return _IMP_saxs.WeightedFitParameters_show(self, s)
1213 __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1214 __del__ =
lambda self:
None
1215 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1216 WeightedFitParameters_swigregister(WeightedFitParameters)
1219 """Proxy of C++ IMP::saxs::ChiScore class."""
1221 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1224 """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1225 this = _IMP_saxs.new_ChiScore()
1227 self.this.append(this)
1228 except __builtin__.Exception:
1231 def compute_score(self, exp_profile, model_profile, use_offset=False):
1233 compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1234 compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1236 return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1239 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1241 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1242 compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1244 return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1247 def compute_offset(self, exp_profile, model_profile):
1248 """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1249 return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1252 def get_version_info(self):
1253 """get_version_info(ChiScore self) -> VersionInfo"""
1254 return _IMP_saxs.ChiScore_get_version_info(self)
1258 """__str__(ChiScore self) -> std::string"""
1259 return _IMP_saxs.ChiScore___str__(self)
1263 """__repr__(ChiScore self) -> std::string"""
1264 return _IMP_saxs.ChiScore___repr__(self)
1269 return _object_cast_to_ChiScore(o)
1271 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1272 ChiScore_swigregister(ChiScore)
1275 """Proxy of C++ IMP::saxs::ChiScoreLog class."""
1277 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1280 """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1281 this = _IMP_saxs.new_ChiScoreLog()
1283 self.this.append(this)
1284 except __builtin__.Exception:
1287 def compute_score(self, *args):
1289 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1290 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1291 compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1293 return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1296 def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1298 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1299 compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1301 return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1304 def compute_offset(self, exp_profile, model_profile):
1305 """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1306 return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1309 def get_version_info(self):
1310 """get_version_info(ChiScoreLog self) -> VersionInfo"""
1311 return _IMP_saxs.ChiScoreLog_get_version_info(self)
1315 """__str__(ChiScoreLog self) -> std::string"""
1316 return _IMP_saxs.ChiScoreLog___str__(self)
1320 """__repr__(ChiScoreLog self) -> std::string"""
1321 return _IMP_saxs.ChiScoreLog___repr__(self)
1326 return _object_cast_to_ChiScoreLog(o)
1328 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1329 ChiScoreLog_swigregister(ChiScoreLog)
1332 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class."""
1334 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1335 __repr__ = _swig_repr
1339 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1340 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1342 this = _IMP_saxs.new_ProfileFitterChi(*args)
1344 self.this.append(this)
1345 except __builtin__.Exception:
1348 def compute_score(self, *args):
1350 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1351 compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1352 compute_score(ProfileFitterChi self, Profile model_profile) -> double
1354 return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1357 def fit_profile(self, *args):
1359 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
1360 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) -> FitParameters
1361 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) -> FitParameters
1362 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1363 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1364 fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1365 fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1367 return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1370 def compute_scale_factor(self, model_profile, offset=0.0):
1372 compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1373 compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1375 return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1378 def compute_offset(self, model_profile):
1379 """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1380 return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1383 def resample(self, model_profile, resampled_profile):
1384 """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1385 return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1388 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1390 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)
1391 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1392 write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1394 return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1396 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1397 __del__ =
lambda self:
None
1398 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1399 ProfileFitterChi_swigregister(ProfileFitterChi)
1401 class WeightedProfileFitterChi(ProfileFitterChi):
1402 """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class."""
1404 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1405 __repr__ = _swig_repr
1408 """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1409 this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1411 self.this.append(this)
1412 except __builtin__.Exception:
1415 def compute_score(self, profiles, weights, use_offset=False, NNLS=True):
1417 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False, bool NNLS=True) -> double
1418 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False) -> double
1419 compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1421 return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, use_offset, NNLS)
1424 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):
1426 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
1427 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) -> WeightedFitParameters
1428 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> WeightedFitParameters
1429 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1430 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1431 fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1433 return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1436 def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1438 write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)
1439 write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)
1441 return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1443 __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1444 __del__ =
lambda self:
None
1445 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1446 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1449 """Proxy of C++ IMP::saxs::Restraint class."""
1451 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1452 __repr__ = _swig_repr
1456 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1457 __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1459 this = _IMP_saxs.new_Restraint(*args)
1461 self.this.append(this)
1462 except __builtin__.Exception:
1465 if self.__class__ != Restraint:
1466 _director_objects.register(self)
1471 def do_get_inputs(self):
1472 """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1473 return _IMP_saxs.Restraint_do_get_inputs(self)
1476 def get_version_info(self):
1477 """get_version_info(Restraint self) -> VersionInfo"""
1478 return _IMP_saxs.Restraint_get_version_info(self)
1480 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1481 Restraint_swigregister(Restraint)
1483 class RadiusOfGyrationRestraint(Restraint):
1484 """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1486 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1487 __repr__ = _swig_repr
1489 def __init__(self, particles, exp_profile, end_q_rg=1.3):
1491 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1492 __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1494 this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1496 self.this.append(this)
1497 except __builtin__.Exception:
1499 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1500 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1502 class FloatDistribution(DistBase):
1503 """Proxy of C++ IMP::saxs::Distribution<(double)> class."""
1505 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1506 __repr__ = _swig_repr
1510 __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1511 __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1513 this = _IMP_saxs.new_FloatDistribution(*args)
1515 self.this.append(this)
1516 except __builtin__.Exception:
1519 def get_max_distance(self):
1520 """get_max_distance(FloatDistribution self) -> double"""
1521 return _IMP_saxs.FloatDistribution_get_max_distance(self)
1524 def get_bin_size(self):
1525 """get_bin_size(FloatDistribution self) -> double"""
1526 return _IMP_saxs.FloatDistribution_get_bin_size(self)
1529 def get_index_from_distance(self, dist):
1530 """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1531 return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1534 def get_distance_from_index(self, index):
1535 """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1536 return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1538 __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1539 __del__ =
lambda self:
None
1540 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1541 FloatDistribution_swigregister(FloatDistribution)
1543 class VectorDistribution(object):
1544 """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class."""
1546 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1547 __repr__ = _swig_repr
1551 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1552 __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1554 this = _IMP_saxs.new_VectorDistribution(*args)
1556 self.this.append(this)
1557 except __builtin__.Exception:
1560 def get_max_distance(self):
1561 """get_max_distance(VectorDistribution self) -> double"""
1562 return _IMP_saxs.VectorDistribution_get_max_distance(self)
1565 def get_bin_size(self):
1566 """get_bin_size(VectorDistribution self) -> double"""
1567 return _IMP_saxs.VectorDistribution_get_bin_size(self)
1570 def get_index_from_distance(self, dist):
1571 """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1572 return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1575 def get_distance_from_index(self, index):
1576 """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1577 return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1579 __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1580 __del__ =
lambda self:
None
1581 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1582 VectorDistribution_swigregister(VectorDistribution)
1584 class RadialDistributionFunction(FloatDistribution):
1585 """Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1587 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1588 __repr__ = _swig_repr
1592 __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1593 __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1594 __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1596 this = _IMP_saxs.new_RadialDistributionFunction(*args)
1598 self.this.append(this)
1599 except __builtin__.Exception:
1603 """scale(RadialDistributionFunction self, double c)"""
1604 return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1607 def add(self, model_pr):
1608 """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1609 return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1612 def show(self, *args):
1614 show(RadialDistributionFunction self, _ostream out)
1615 show(RadialDistributionFunction self)
1617 return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1620 def R_factor_score(self, *args):
1622 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1623 R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1625 return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1628 def fit(self, *args):
1630 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1631 fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1633 return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1636 def normalize(self):
1637 """normalize(RadialDistributionFunction self)"""
1638 return _IMP_saxs.RadialDistributionFunction_normalize(self)
1641 def add_to_distribution(self, dist, value):
1642 """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1643 return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1645 __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1646 __del__ =
lambda self:
None
1647 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1648 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1650 class DeltaDistributionFunction(VectorDistribution):
1651 """Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1653 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1654 __repr__ = _swig_repr
1658 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1659 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1660 __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1662 this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1664 self.this.append(this)
1665 except __builtin__.Exception:
1668 def calculate_derivative_distribution(self, particle):
1669 """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1670 return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1673 def show(self, *args):
1675 show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1676 show(DeltaDistributionFunction self, _ostream out)
1677 show(DeltaDistributionFunction self)
1679 return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1681 __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1682 __del__ =
lambda self:
None
1683 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1684 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1686 class SolventAccessibleSurface(object):
1687 """Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1689 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1690 __repr__ = _swig_repr
1692 def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1694 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1695 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1696 get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1698 return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1702 """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1703 this = _IMP_saxs.new_SolventAccessibleSurface()
1705 self.this.append(this)
1706 except __builtin__.Exception:
1708 __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1709 __del__ =
lambda self:
None
1710 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1711 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1714 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class."""
1716 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1717 __repr__ = _swig_repr
1721 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1722 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1724 this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1726 self.this.append(this)
1727 except __builtin__.Exception:
1730 def compute_score(self, *args):
1732 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1733 compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1734 compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1736 return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1739 def fit_profile(self, *args):
1741 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
1742 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) -> FitParameters
1743 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) -> FitParameters
1744 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1745 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1746 fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1747 fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1749 return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1752 def compute_scale_factor(self, model_profile, offset=0.0):
1754 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1755 compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1757 return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1760 def compute_offset(self, model_profile):
1761 """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1762 return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1765 def resample(self, model_profile, resampled_profile):
1766 """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1767 return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1770 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1772 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)
1773 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1774 write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1776 return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1778 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1779 __del__ =
lambda self:
None
1780 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1781 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1783 class ProfileFitterRatioVolatility(
IMP.Object):
1784 """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class."""
1786 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1787 __repr__ = _swig_repr
1791 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1792 __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1794 this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1796 self.this.append(this)
1797 except __builtin__.Exception:
1800 def compute_score(self, *args):
1802 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1803 compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1804 compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1806 return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1809 def fit_profile(self, *args):
1811 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
1812 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) -> FitParameters
1813 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) -> FitParameters
1814 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1815 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1816 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1817 fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
1819 return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1822 def compute_scale_factor(self, model_profile, offset=0.0):
1824 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
1825 compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1827 return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1830 def compute_offset(self, model_profile):
1831 """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1832 return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1835 def resample(self, model_profile, resampled_profile):
1836 """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1837 return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1840 def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1842 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)
1843 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1844 write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
1846 return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1848 __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1849 __del__ =
lambda self:
None
1850 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
1851 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1854 def get_module_version():
1855 """get_module_version() -> std::string const"""
1856 return _IMP_saxs.get_module_version()
1859 """get_example_path(std::string fname) -> std::string"""
1860 return _IMP_saxs.get_example_path(fname)
1863 """get_data_path(std::string fname) -> std::string"""
1864 return _IMP_saxs.get_data_path(fname)
1866 from .
import _version_check
1867 _version_check.check_version(get_module_version())
1868 __version__ = get_module_version()
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
FormFactorTable * get_default_form_factor_table()
Composable functors to implement scores via compile-time composition.
double get_volume(const BoundingBoxD< D > &bb)
See BoundingBoxD.
Common base class for heavy weight IMP objects.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
A restraint is a term in an IMP ScoringFunction.