17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_ROTAMER_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_ROTAMER_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_rotamer.delete_IMP_ROTAMER_SwigPyIterator
67 r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
68 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
71 r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
72 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
76 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
84 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
88 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
91 r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
92 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
95 r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
96 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
99 r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
100 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
104 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
108 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
112 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
116 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
120 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
125 __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
132 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
139 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
141 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
143 IMP_SILENT = _IMP_rotamer.IMP_SILENT
145 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
147 IMP_TERSE = _IMP_rotamer.IMP_TERSE
149 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
151 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
153 IMP_NONE = _IMP_rotamer.IMP_NONE
155 IMP_USAGE = _IMP_rotamer.IMP_USAGE
157 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 class _ostream(object):
211 r"""Proxy of C++ std::ostream class."""
213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
215 def __init__(self, *args, **kwargs):
216 raise AttributeError(
"No constructor defined")
217 __repr__ = _swig_repr
219 def write(self, osa_buf):
220 r"""write(_ostream self, char const * osa_buf)"""
221 return _IMP_rotamer._ostream_write(self, osa_buf)
224 _IMP_rotamer._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
234 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
236 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
247 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
251 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
264 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
266 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
288 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
290 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
292 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
294 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
296 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
298 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
300 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
302 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
304 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
307 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
309 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
311 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
313 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
315 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
317 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
319 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
321 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
323 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
325 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
327 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
329 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
331 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
333 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
335 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
338 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
340 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
342 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
344 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
346 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
348 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
350 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
352 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
354 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
356 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
358 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
360 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
362 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
364 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
366 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
369 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
371 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
373 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
375 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
377 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
379 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
381 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
383 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
385 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
387 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
389 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
391 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
393 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
395 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
397 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
400 RotamerAngleTuples=list
401 _plural_types.append(
"RotamerAngleTuples")
402 _value_types.append(
"RotamerAngleTuple")
406 _plural_types.append(
"ResidueRotamers")
407 _value_types.append(
"ResidueRotamer")
410 _object_types.append(
"RotamerLibrary")
413 def _object_cast_to_RotamerLibrary(o):
414 r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
415 return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
417 _object_types.append(
"RotamerCalculator")
420 def _object_cast_to_RotamerCalculator(o):
421 r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
422 return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
423 class RotamerAngleTuple(object):
424 r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
426 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
428 def __init__(self, *args):
430 __init__(RotamerAngleTuple self) -> RotamerAngleTuple
431 __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
433 _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
436 r"""get_chi1(RotamerAngleTuple self) -> float"""
437 return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
440 r"""get_chi2(RotamerAngleTuple self) -> float"""
441 return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
444 r"""get_chi3(RotamerAngleTuple self) -> float"""
445 return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
448 r"""get_chi4(RotamerAngleTuple self) -> float"""
449 return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
451 def get_probability(self):
452 r"""get_probability(RotamerAngleTuple self) -> float"""
453 return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
455 def show(self, *args):
456 r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
457 return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
460 r"""__str__(RotamerAngleTuple self) -> std::string"""
461 return _IMP_rotamer.RotamerAngleTuple___str__(self)
464 r"""__repr__(RotamerAngleTuple self) -> std::string"""
465 return _IMP_rotamer.RotamerAngleTuple___repr__(self)
467 def _get_as_binary(self):
468 r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
469 return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
471 def _set_from_binary(self, p):
472 r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
473 return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
475 def __getstate__(self):
476 p = self._get_as_binary()
477 if len(self.__dict__) > 1:
478 d = self.__dict__.copy()
483 def __setstate__(self, p):
484 if not hasattr(self,
'this'):
486 if isinstance(p, tuple):
488 self.__dict__.update(d)
489 return self._set_from_binary(p)
491 __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
494 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
496 r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
500 def __init__(self, angle_step=10):
501 r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
502 _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
504 def get_rotamers(self, residue, phi, psi, probability_thr):
505 r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
506 return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
508 def read_library_file(self, lib_file_name):
509 r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
510 return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
512 def get_version_info(self):
513 r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
514 return _IMP_rotamer.RotamerLibrary_get_version_info(self)
515 __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
518 r"""__str__(RotamerLibrary self) -> std::string"""
519 return _IMP_rotamer.RotamerLibrary___str__(self)
522 r"""__repr__(RotamerLibrary self) -> std::string"""
523 return _IMP_rotamer.RotamerLibrary___repr__(self)
527 return _object_cast_to_RotamerLibrary(o)
531 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
532 class ResidueRotamer(object):
533 r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
535 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
537 def __init__(self, *args):
538 r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
539 _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
541 def get_coordinates(self, index, at):
542 r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
543 return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
545 def get_number_of_cases(self, at):
546 r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
547 return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
549 def get_atom_exists(self, at):
550 r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
551 return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
554 r"""get_size(ResidueRotamer self) -> unsigned int"""
555 return _IMP_rotamer.ResidueRotamer_get_size(self)
557 def get_probability(self, index):
558 r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
559 return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
561 def show(self, *args):
562 r"""show(ResidueRotamer self, _ostream out=std::cout)"""
563 return _IMP_rotamer.ResidueRotamer_show(self, *args)
566 r"""__str__(ResidueRotamer self) -> std::string"""
567 return _IMP_rotamer.ResidueRotamer___str__(self)
570 r"""__repr__(ResidueRotamer self) -> std::string"""
571 return _IMP_rotamer.ResidueRotamer___repr__(self)
572 __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
575 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
577 r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
579 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
581 def __init__(self, rl):
582 r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
583 _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
585 def get_rotamer(self, rd, thr):
586 r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
587 return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
589 def get_version_info(self):
590 r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
591 return _IMP_rotamer.RotamerCalculator_get_version_info(self)
592 __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
594 def transform(self, protein, score, thr, K, num_iter):
595 r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
596 return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
599 r"""__str__(RotamerCalculator self) -> std::string"""
600 return _IMP_rotamer.RotamerCalculator___str__(self)
603 r"""__repr__(RotamerCalculator self) -> std::string"""
604 return _IMP_rotamer.RotamerCalculator___repr__(self)
608 return _object_cast_to_RotamerCalculator(o)
612 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
614 def get_module_name():
615 r"""get_module_name() -> std::string const"""
616 return _IMP_rotamer.get_module_name()
619 r"""get_module_version() -> std::string const"""
620 return _IMP_rotamer.get_module_version()
623 r"""get_example_path(std::string fname) -> std::string"""
624 return _IMP_rotamer.get_example_path(fname)
627 r"""get_data_path(std::string fname) -> std::string"""
628 return _IMP_rotamer.get_data_path(fname)
630 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.