14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_ROTAMER_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_ROTAMER_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_rotamer.delete_IMP_ROTAMER_SwigPyIterator
77 r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
78 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
81 r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
82 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
86 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
94 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
98 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
101 r"""next(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
102 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_next(self)
105 r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
106 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
109 r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
110 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
114 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
118 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
122 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
126 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
130 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
134 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
139 __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
146 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
153 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
155 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
157 IMP_SILENT = _IMP_rotamer.IMP_SILENT
159 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
161 IMP_TERSE = _IMP_rotamer.IMP_TERSE
163 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
165 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
167 IMP_NONE = _IMP_rotamer.IMP_NONE
169 IMP_USAGE = _IMP_rotamer.IMP_USAGE
171 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_rotamer._ostream_write(self, osa_buf)
238 _IMP_rotamer._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
304 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
306 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
308 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
310 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
312 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
314 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
316 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
318 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
321 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
323 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
325 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
327 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
329 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
331 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
333 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
335 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
337 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
339 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
341 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
345 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
347 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
349 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
352 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
354 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
356 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
358 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
360 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
362 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
364 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
366 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
368 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
370 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
372 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
374 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
376 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
378 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
380 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
383 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
385 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
387 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
389 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
391 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
393 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
395 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
397 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
399 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
401 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
403 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
405 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
407 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
409 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
411 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
414 RotamerAngleTuples=list
415 _plural_types.append(
"RotamerAngleTuples")
416 _value_types.append(
"RotamerAngleTuple")
420 _plural_types.append(
"ResidueRotamers")
421 _value_types.append(
"ResidueRotamer")
424 _object_types.append(
"RotamerLibrary")
427 def _object_cast_to_RotamerLibrary(o):
428 r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
429 return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
431 _object_types.append(
"RotamerCalculator")
434 def _object_cast_to_RotamerCalculator(o):
435 r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
436 return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
437 class RotamerAngleTuple(object):
438 r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
440 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
442 def __init__(self, *args):
444 __init__(RotamerAngleTuple self) -> RotamerAngleTuple
445 __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
447 _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
450 r"""get_chi1(RotamerAngleTuple self) -> float"""
451 return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
454 r"""get_chi2(RotamerAngleTuple self) -> float"""
455 return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
458 r"""get_chi3(RotamerAngleTuple self) -> float"""
459 return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
462 r"""get_chi4(RotamerAngleTuple self) -> float"""
463 return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
465 def get_probability(self):
466 r"""get_probability(RotamerAngleTuple self) -> float"""
467 return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
469 def show(self, *args):
470 r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
471 return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
474 r"""__str__(RotamerAngleTuple self) -> std::string"""
475 return _IMP_rotamer.RotamerAngleTuple___str__(self)
478 r"""__repr__(RotamerAngleTuple self) -> std::string"""
479 return _IMP_rotamer.RotamerAngleTuple___repr__(self)
481 def _get_as_binary(self):
482 r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
483 return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
485 def _set_from_binary(self, p):
486 r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
487 return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
489 def __getstate__(self):
490 p = self._get_as_binary()
491 if len(self.__dict__) > 1:
492 d = self.__dict__.copy()
497 def __setstate__(self, p):
498 if not hasattr(self,
'this'):
500 if isinstance(p, tuple):
502 self.__dict__.update(d)
503 return self._set_from_binary(p)
505 __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
508 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
510 r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
514 def __init__(self, angle_step=10):
515 r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
516 _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
518 def get_rotamers(self, residue, phi, psi, probability_thr):
519 r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
520 return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
522 def read_library_file(self, lib_file_name):
523 r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
524 return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
526 def get_version_info(self):
527 r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
528 return _IMP_rotamer.RotamerLibrary_get_version_info(self)
529 __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
532 r"""__str__(RotamerLibrary self) -> std::string"""
533 return _IMP_rotamer.RotamerLibrary___str__(self)
536 r"""__repr__(RotamerLibrary self) -> std::string"""
537 return _IMP_rotamer.RotamerLibrary___repr__(self)
541 return _object_cast_to_RotamerLibrary(o)
545 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
546 class ResidueRotamer(object):
547 r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
549 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
551 def __init__(self, *args):
552 r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
553 _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
555 def get_coordinates(self, index, at):
556 r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
557 return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
559 def get_number_of_cases(self, at):
560 r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
561 return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
563 def get_atom_exists(self, at):
564 r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
565 return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
568 r"""get_size(ResidueRotamer self) -> unsigned int"""
569 return _IMP_rotamer.ResidueRotamer_get_size(self)
571 def get_probability(self, index):
572 r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
573 return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
575 def show(self, *args):
576 r"""show(ResidueRotamer self, _ostream out=std::cout)"""
577 return _IMP_rotamer.ResidueRotamer_show(self, *args)
580 r"""__str__(ResidueRotamer self) -> std::string"""
581 return _IMP_rotamer.ResidueRotamer___str__(self)
584 r"""__repr__(ResidueRotamer self) -> std::string"""
585 return _IMP_rotamer.ResidueRotamer___repr__(self)
586 __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
589 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
591 r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
595 def __init__(self, rl):
596 r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
597 _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
599 def get_rotamer(self, rd, thr):
600 r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
601 return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
603 def get_version_info(self):
604 r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
605 return _IMP_rotamer.RotamerCalculator_get_version_info(self)
606 __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
608 def transform(self, protein, score, thr, K, num_iter):
609 r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
610 return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
613 r"""__str__(RotamerCalculator self) -> std::string"""
614 return _IMP_rotamer.RotamerCalculator___str__(self)
617 r"""__repr__(RotamerCalculator self) -> std::string"""
618 return _IMP_rotamer.RotamerCalculator___repr__(self)
622 return _object_cast_to_RotamerCalculator(o)
626 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
628 def get_module_name():
629 r"""get_module_name() -> std::string const"""
630 return _IMP_rotamer.get_module_name()
633 r"""get_module_version() -> std::string const"""
634 return _IMP_rotamer.get_module_version()
637 r"""get_example_path(std::string fname) -> std::string"""
638 return _IMP_rotamer.get_example_path(fname)
641 r"""get_data_path(std::string fname) -> std::string"""
642 return _IMP_rotamer.get_data_path(fname)
644 from .
import _version_check
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_module_version()
Return the version of this module, as a string.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Composable functors to implement scores via compile-time composition.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
Common base class for heavy weight IMP objects.
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.