11 from __future__
import print_function, division, absolute_import
15 from sys
import version_info
as _swig_python_version_info
19 import builtins
as __builtin__
25 strthis =
"proxy of " + self.this.__repr__()
26 except __builtin__.Exception:
28 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
31 def _swig_setattr_nondynamic_instance_variable(set):
32 def set_instance_attr(self, name, value):
34 set(self, name, value)
35 elif name ==
"thisown":
37 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
38 set(self, name, value)
40 raise AttributeError(
"You cannot add instance attributes to %s" % self)
41 return set_instance_attr
44 def _swig_setattr_nondynamic_class_variable(set):
45 def set_class_attr(cls, name, value):
46 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
49 raise AttributeError(
"You cannot add class attributes to %s" % cls)
53 def _swig_add_metaclass(metaclass):
54 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
56 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
60 class _SwigNonDynamicMeta(type):
61 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
62 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
67 class IMP_ROTAMER_SwigPyIterator(object):
68 r"""Proxy of C++ swig::IMP_ROTAMER_SwigPyIterator class."""
70 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
72 def __init__(self, *args, **kwargs):
73 raise AttributeError(
"No constructor defined - class is abstract")
75 __swig_destroy__ = _IMP_rotamer.delete_IMP_ROTAMER_SwigPyIterator
78 r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
79 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
82 r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
83 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
86 r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
87 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
89 def distance(self, x):
90 r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
91 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
94 r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
95 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
98 r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
99 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
102 r"""next(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
103 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_next(self)
106 r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
107 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
110 r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
111 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
113 def advance(self, n):
114 r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
115 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
118 r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
119 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
122 r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
123 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
125 def __iadd__(self, n):
126 r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
127 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
129 def __isub__(self, n):
130 r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
131 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
133 def __add__(self, n):
134 r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
135 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
137 def __sub__(self, *args):
139 __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
140 __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
142 return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
147 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
154 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
156 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
158 IMP_SILENT = _IMP_rotamer.IMP_SILENT
160 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
162 IMP_TERSE = _IMP_rotamer.IMP_TERSE
164 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
166 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
168 IMP_NONE = _IMP_rotamer.IMP_NONE
170 IMP_USAGE = _IMP_rotamer.IMP_USAGE
172 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
174 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
176 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
178 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
180 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
182 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
184 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
186 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
188 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
190 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
192 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
194 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
198 class _DirectorObjects(object):
199 """@internal Simple class to keep references to director objects
200 to prevent premature deletion."""
203 def register(self, obj):
204 """Take a reference to a director object; will only work for
205 refcounted C++ classes"""
206 if hasattr(obj,
'get_ref_count'):
207 self._objects.append(obj)
209 """Only drop our reference and allow cleanup by Python if no other
210 Python references exist (we hold 3 references: one in self._objects,
211 one in x, and one in the argument list for getrefcount) *and* no
212 other C++ references exist (the Python object always holds one)"""
213 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
214 or x.get_ref_count() > 1]
218 def get_object_count(self):
219 """Get number of director objects (useful for testing only)"""
220 return len(self._objects)
221 _director_objects = _DirectorObjects()
223 class _ostream(object):
224 r"""Proxy of C++ std::ostream class."""
226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
228 def __init__(self, *args, **kwargs):
229 raise AttributeError(
"No constructor defined")
230 __repr__ = _swig_repr
232 def write(self, osa_buf):
233 r"""write(_ostream self, char const * osa_buf)"""
234 return _IMP_rotamer._ostream_write(self, osa_buf)
237 _IMP_rotamer._ostream_swigregister(_ostream)
238 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
241 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
243 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
245 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
247 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_SYSTEM
249 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
251 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
254 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
256 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
258 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
260 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
262 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_SYSTEM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_SYSTEM
283 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
285 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
287 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
290 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
292 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
294 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
296 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
298 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
300 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
302 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
304 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
306 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
309 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
311 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
313 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
315 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
317 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
319 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_SYSTEM
321 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
323 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
325 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
327 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
330 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
332 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
334 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
336 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
338 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
340 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
342 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
344 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
346 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_SYSTEM
348 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
350 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
352 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
354 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
356 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
358 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
360 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
363 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
365 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
367 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
369 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
371 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
373 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
375 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_SYSTEM
377 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
379 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
381 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
383 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
385 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
387 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
389 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
391 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
393 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
396 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
398 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
400 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
402 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
404 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
406 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
408 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
410 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
412 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
414 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
416 IMP_ROTAMER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_SYSTEM
418 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
420 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
422 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
424 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
426 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
429 RotamerAngleTuples=list
430 _plural_types.append(
"RotamerAngleTuples")
431 _value_types.append(
"RotamerAngleTuple")
435 _plural_types.append(
"ResidueRotamers")
436 _value_types.append(
"ResidueRotamer")
439 _object_types.append(
"RotamerLibrary")
442 def _object_cast_to_RotamerLibrary(o):
443 r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
444 return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
446 _object_types.append(
"RotamerCalculator")
449 def _object_cast_to_RotamerCalculator(o):
450 r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
451 return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
452 class RotamerAngleTuple(object):
453 r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
455 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
457 def __init__(self, *args):
459 __init__(RotamerAngleTuple self) -> RotamerAngleTuple
460 __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
462 _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
465 r"""get_chi1(RotamerAngleTuple self) -> float"""
466 return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
469 r"""get_chi2(RotamerAngleTuple self) -> float"""
470 return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
473 r"""get_chi3(RotamerAngleTuple self) -> float"""
474 return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
477 r"""get_chi4(RotamerAngleTuple self) -> float"""
478 return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
480 def get_probability(self):
481 r"""get_probability(RotamerAngleTuple self) -> float"""
482 return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
484 def show(self, *args):
485 r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
486 return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
489 r"""__str__(RotamerAngleTuple self) -> std::string"""
490 return _IMP_rotamer.RotamerAngleTuple___str__(self)
493 r"""__repr__(RotamerAngleTuple self) -> std::string"""
494 return _IMP_rotamer.RotamerAngleTuple___repr__(self)
496 def _get_as_binary(self):
497 r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
498 return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
500 def _set_from_binary(self, p):
501 r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
502 return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
504 def __getstate__(self):
505 p = self._get_as_binary()
506 if len(self.__dict__) > 1:
507 d = self.__dict__.copy()
512 def __setstate__(self, p):
513 if not hasattr(self,
'this'):
515 if isinstance(p, tuple):
517 self.__dict__.update(d)
518 return self._set_from_binary(p)
520 __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
523 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
525 r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
529 def __init__(self, angle_step=10):
530 r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
531 _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
533 def get_rotamers(self, residue, phi, psi, probability_thr):
534 r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
535 return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
537 def read_library_file(self, lib_file_name):
538 r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
539 return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
541 def get_version_info(self):
542 r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
543 return _IMP_rotamer.RotamerLibrary_get_version_info(self)
544 __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
547 r"""__str__(RotamerLibrary self) -> std::string"""
548 return _IMP_rotamer.RotamerLibrary___str__(self)
551 r"""__repr__(RotamerLibrary self) -> std::string"""
552 return _IMP_rotamer.RotamerLibrary___repr__(self)
556 return _object_cast_to_RotamerLibrary(o)
560 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
561 class ResidueRotamer(object):
562 r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
564 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
566 def __init__(self, *args):
567 r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
568 _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
570 def get_coordinates(self, index, at):
571 r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
572 return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
574 def get_number_of_cases(self, at):
575 r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
576 return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
578 def get_atom_exists(self, at):
579 r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
580 return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
583 r"""get_size(ResidueRotamer self) -> unsigned int"""
584 return _IMP_rotamer.ResidueRotamer_get_size(self)
586 def get_probability(self, index):
587 r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
588 return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
590 def show(self, *args):
591 r"""show(ResidueRotamer self, _ostream out=std::cout)"""
592 return _IMP_rotamer.ResidueRotamer_show(self, *args)
595 r"""__str__(ResidueRotamer self) -> std::string"""
596 return _IMP_rotamer.ResidueRotamer___str__(self)
599 r"""__repr__(ResidueRotamer self) -> std::string"""
600 return _IMP_rotamer.ResidueRotamer___repr__(self)
601 __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
604 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
606 r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
608 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
610 def __init__(self, rl):
611 r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
612 _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
614 def get_rotamer(self, rd, thr):
615 r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
616 return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
618 def get_version_info(self):
619 r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
620 return _IMP_rotamer.RotamerCalculator_get_version_info(self)
621 __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
623 def transform(self, protein, score, thr, K, num_iter):
624 r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
625 return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
628 r"""__str__(RotamerCalculator self) -> std::string"""
629 return _IMP_rotamer.RotamerCalculator___str__(self)
632 r"""__repr__(RotamerCalculator self) -> std::string"""
633 return _IMP_rotamer.RotamerCalculator___repr__(self)
637 return _object_cast_to_RotamerCalculator(o)
641 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
644 r"""get_module_version() -> std::string const"""
645 return _IMP_rotamer.get_module_version()
648 r"""get_example_path(std::string fname) -> std::string"""
649 return _IMP_rotamer.get_example_path(fname)
652 r"""get_data_path(std::string fname) -> std::string"""
653 return _IMP_rotamer.get_data_path(fname)
655 from .
import _version_check
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
Composable functors to implement scores via compile-time composition.
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.
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.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
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.