14 from sys
import version_info
as _swig_python_version_info
15 import _IMP_npctransport
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_NPCTRANSPORT_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_NPCTRANSPORT_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_npctransport.delete_IMP_NPCTRANSPORT_SwigPyIterator
77 r"""value(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
78 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_value(self)
81 r"""incr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
82 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
86 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
94 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator"""
98 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_copy(self)
101 r"""next(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
102 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_next(self)
105 r"""__next__(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
106 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___next__(self)
109 r"""previous(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
110 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
114 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
118 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
122 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
126 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
130 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
134 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator
139 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___sub__(self, *args)
146 _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_swigregister(IMP_NPCTRANSPORT_SwigPyIterator)
153 IMP_DEBUG = _IMP_npctransport.IMP_DEBUG
155 IMP_RELEASE = _IMP_npctransport.IMP_RELEASE
157 IMP_SILENT = _IMP_npctransport.IMP_SILENT
159 IMP_PROGRESS = _IMP_npctransport.IMP_PROGRESS
161 IMP_TERSE = _IMP_npctransport.IMP_TERSE
163 IMP_VERBOSE = _IMP_npctransport.IMP_VERBOSE
165 IMP_MEMORY = _IMP_npctransport.IMP_MEMORY
167 IMP_NONE = _IMP_npctransport.IMP_NONE
169 IMP_USAGE = _IMP_npctransport.IMP_USAGE
171 IMP_INTERNAL = _IMP_npctransport.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_npctransport.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_npctransport.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_npctransport.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_npctransport.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_npctransport.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_npctransport.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
197 class _DirectorObjects:
198 """@internal Simple class to keep references to director objects
199 to prevent premature deletion."""
202 def register(self, obj):
203 """Take a reference to a director object; will only work for
204 refcounted C++ classes"""
205 if hasattr(obj,
'get_ref_count'):
206 self._objects.append(obj)
208 """Only drop our reference and allow cleanup by Python if no other
209 Python references exist (we hold 3 references: one in self._objects,
210 one in x, and one in the argument list for getrefcount) *and* no
211 other C++ references exist (the Python object always holds one)"""
212 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
213 or x.get_ref_count() > 1]
217 def get_object_count(self):
218 """Get number of director objects (useful for testing only)"""
219 return len(self._objects)
220 _director_objects = _DirectorObjects()
222 class _ostream(object):
223 r"""Proxy of C++ std::ostream class."""
225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
227 def __init__(self, *args, **kwargs):
228 raise AttributeError(
"No constructor defined")
229 __repr__ = _swig_repr
231 def write(self, osa_buf):
232 r"""write(_ostream self, char const * osa_buf)"""
233 return _IMP_npctransport._ostream_write(self, osa_buf)
236 _IMP_npctransport._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
240 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
242 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
244 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
246 IMP_BENCHMARK_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_SYSTEM
248 IMP_BENCHMARK_HAS_NUMPY = _IMP_npctransport.IMP_BENCHMARK_HAS_NUMPY
250 IMPBENCHMARK_SHOW_WARNINGS = _IMP_npctransport.IMPBENCHMARK_SHOW_WARNINGS
253 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_FILESYSTEM
255 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
257 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_RANDOM
259 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_SYSTEM
261 IMP_CGAL_HAS_NUMPY = _IMP_npctransport.IMP_CGAL_HAS_NUMPY
263 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
266 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
268 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
270 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
272 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
274 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_SYSTEM
276 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
278 IMP_ALGEBRA_HAS_NUMPY = _IMP_npctransport.IMP_ALGEBRA_HAS_NUMPY
280 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
282 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
285 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
287 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
289 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
291 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
293 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_SYSTEM
295 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
297 IMP_DISPLAY_HAS_NUMPY = _IMP_npctransport.IMP_DISPLAY_HAS_NUMPY
299 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
302 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
304 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
306 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
308 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
310 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
312 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
314 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
316 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_NUMPY
318 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
321 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
323 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
325 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
327 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
329 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_SYSTEM
331 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
333 IMP_STATISTICS_HAS_NUMPY = _IMP_npctransport.IMP_STATISTICS_HAS_NUMPY
335 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
338 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
340 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
342 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
344 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
346 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
348 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_SYSTEM
350 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
352 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
354 IMP_CORE_HAS_NUMPY = _IMP_npctransport.IMP_CORE_HAS_NUMPY
356 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
359 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
361 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
363 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
365 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
367 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
369 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
371 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
373 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
375 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_SYSTEM
377 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
379 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
381 IMP_CONTAINER_HAS_NUMPY = _IMP_npctransport.IMP_CONTAINER_HAS_NUMPY
383 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
385 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
387 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
389 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
392 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
394 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
396 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
398 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
400 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
402 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
404 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_SYSTEM
406 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
408 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
410 IMP_ATOM_HAS_NUMPY = _IMP_npctransport.IMP_ATOM_HAS_NUMPY
412 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
414 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
416 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
418 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
420 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
422 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
425 IMP_EM_HAS_IMP_CGAL = _IMP_npctransport.IMP_EM_HAS_IMP_CGAL
427 IMP_EM_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_EM_HAS_IMP_CONTAINER
429 IMP_EM_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_EM_HAS_IMP_DISPLAY
431 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_EM_HAS_IMP_SCORE_FUNCTOR
433 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_FILESYSTEM
435 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
437 IMP_EM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_EM_HAS_BOOST_RANDOM
439 IMP_EM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_EM_HAS_BOOST_REGEX
441 IMP_EM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_SYSTEM
443 IMP_EM_HAS_CGAL = _IMP_npctransport.IMP_EM_HAS_CGAL
445 IMP_EM_HAS_HDF5 = _IMP_npctransport.IMP_EM_HAS_HDF5
447 IMP_EM_HAS_NUMPY = _IMP_npctransport.IMP_EM_HAS_NUMPY
449 IMP_EM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_EM_HAS_PYTHON_IHM
451 IMPEM_SHOW_WARNINGS = _IMP_npctransport.IMPEM_SHOW_WARNINGS
454 IMP_SAXS_HAS_IMP_CGAL = _IMP_npctransport.IMP_SAXS_HAS_IMP_CGAL
456 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_SAXS_HAS_IMP_CONTAINER
458 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_SAXS_HAS_IMP_DISPLAY
460 IMP_SAXS_HAS_IMP_KERNEL = _IMP_npctransport.IMP_SAXS_HAS_IMP_KERNEL
462 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
464 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_FILESYSTEM
466 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
468 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_RANDOM
470 IMP_SAXS_HAS_BOOST_REGEX = _IMP_npctransport.IMP_SAXS_HAS_BOOST_REGEX
472 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_SYSTEM
474 IMP_SAXS_HAS_CGAL = _IMP_npctransport.IMP_SAXS_HAS_CGAL
476 IMP_SAXS_HAS_HDF5 = _IMP_npctransport.IMP_SAXS_HAS_HDF5
478 IMP_SAXS_HAS_NUMPY = _IMP_npctransport.IMP_SAXS_HAS_NUMPY
480 IMP_SAXS_HAS_PYTHON_IHM = _IMP_npctransport.IMP_SAXS_HAS_PYTHON_IHM
482 IMPSAXS_SHOW_WARNINGS = _IMP_npctransport.IMPSAXS_SHOW_WARNINGS
485 IMP_ISD_HAS_IMP_CGAL = _IMP_npctransport.IMP_ISD_HAS_IMP_CGAL
487 IMP_ISD_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_ISD_HAS_IMP_DISPLAY
489 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
491 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_FILESYSTEM
493 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
495 IMP_ISD_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ISD_HAS_BOOST_RANDOM
497 IMP_ISD_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ISD_HAS_BOOST_REGEX
499 IMP_ISD_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_SYSTEM
501 IMP_ISD_HAS_CGAL = _IMP_npctransport.IMP_ISD_HAS_CGAL
503 IMP_ISD_HAS_HDF5 = _IMP_npctransport.IMP_ISD_HAS_HDF5
505 IMP_ISD_HAS_NUMPY = _IMP_npctransport.IMP_ISD_HAS_NUMPY
507 IMP_ISD_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ISD_HAS_PYTHON_IHM
509 IMPISD_SHOW_WARNINGS = _IMP_npctransport.IMPISD_SHOW_WARNINGS
512 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
514 IMP_RMF_HAS_IMP_EM = _IMP_npctransport.IMP_RMF_HAS_IMP_EM
516 IMP_RMF_HAS_IMP_SAXS = _IMP_npctransport.IMP_RMF_HAS_IMP_SAXS
518 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
520 IMP_RMF_HAS_IMP_STATISTICS = _IMP_npctransport.IMP_RMF_HAS_IMP_STATISTICS
522 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
524 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
526 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
528 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
530 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_SYSTEM
532 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
534 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
536 IMP_RMF_HAS_NUMPY = _IMP_npctransport.IMP_RMF_HAS_NUMPY
538 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
540 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
544 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
546 IMP_NPCTRANSPORT_HAS_IMP_EM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_EM
548 IMP_NPCTRANSPORT_HAS_IMP_ISD = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_ISD
550 IMP_NPCTRANSPORT_HAS_IMP_SAXS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_SAXS
552 IMP_NPCTRANSPORT_HAS_ABSEIL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_ABSEIL
554 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
556 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
558 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
560 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
562 IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM
564 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
566 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
568 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
570 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
572 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
575 _object_types.append(
"SitesPairScore")
578 def _object_cast_to_SitesPairScore(o):
579 r"""_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
580 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
582 _object_types.append(
"Scoring")
585 def _object_cast_to_Scoring(o):
586 r"""_object_cast_to_Scoring(Object o) -> Scoring"""
587 return _IMP_npctransport._object_cast_to_Scoring(o)
589 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
592 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
593 r"""_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
594 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
596 _object_types.append(
"Statistics")
599 def _object_cast_to_Statistics(o):
600 r"""_object_cast_to_Statistics(Object o) -> Statistics"""
601 return _IMP_npctransport._object_cast_to_Statistics(o)
603 _object_types.append(
"SimulationData")
606 def _object_cast_to_SimulationData(o):
607 r"""_object_cast_to_SimulationData(Object o) -> SimulationData"""
608 return _IMP_npctransport._object_cast_to_SimulationData(o)
610 _object_types.append(
"SitesGeometry")
613 def _object_cast_to_SitesGeometry(o):
614 r"""_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
615 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
617 _object_types.append(
"TypedSitesGeometry")
620 def _object_cast_to_TypedSitesGeometry(o):
621 r"""_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
622 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
624 _object_types.append(
"SlabWithCylindricalPorePairScore")
627 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
628 r"""_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
629 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
631 _object_types.append(
"SlabWithToroidalPorePairScore")
634 def _object_cast_to_SlabWithToroidalPorePairScore(o):
635 r"""_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
636 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
638 _object_types.append(
"PoreRadiusSingletonScore")
641 def _object_cast_to_PoreRadiusSingletonScore(o):
642 r"""_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
643 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
645 _object_types.append(
"ExcludeZRangeSingletonScore")
648 def _object_cast_to_ExcludeZRangeSingletonScore(o):
649 r"""_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
650 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
652 _object_types.append(
"ZBiasSingletonScore")
655 def _object_cast_to_ZBiasSingletonScore(o):
656 r"""_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
657 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
659 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
662 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
663 r"""_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
664 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
666 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
669 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
670 r"""_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
671 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
673 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
676 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
677 r"""_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
678 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
680 _object_types.append(
"LinearSoftSpherePairScore")
683 def _object_cast_to_LinearSoftSpherePairScore(o):
684 r"""_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
685 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
687 _object_types.append(
"FunctorLinearSoftSpherePairScore")
690 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
691 r"""_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
692 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
694 _object_types.append(
"LinearInteractionPairScore")
697 def _object_cast_to_LinearInteractionPairScore(o):
698 r"""_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
699 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
701 _object_types.append(
"FunctorLinearInteractionPairScore")
704 def _object_cast_to_FunctorLinearInteractionPairScore(o):
705 r"""_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
706 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
708 _object_types.append(
"LinearWellPairScore")
711 def _object_cast_to_LinearWellPairScore(o):
712 r"""_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
713 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
715 _object_types.append(
"HarmonicSpringSingletonScore")
718 def _object_cast_to_HarmonicSpringSingletonScore(o):
719 r"""_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
720 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
722 _object_types.append(
"HierarchyWithSitesSaveLink")
725 def _object_cast_to_HierarchyWithSitesSaveLink(o):
726 r"""_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
727 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
729 _object_types.append(
"HierarchyWithSitesLoadLink")
732 def _object_cast_to_HierarchyWithSitesLoadLink(o):
733 r"""_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
734 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
736 _object_types.append(
"ChainStatisticsOptimizerState")
739 def _object_cast_to_ChainStatisticsOptimizerState(o):
740 r"""_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
741 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
743 _object_types.append(
"BodyStatisticsOptimizerState")
746 def _object_cast_to_BodyStatisticsOptimizerState(o):
747 r"""_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
748 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
750 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
753 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
754 r"""_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
755 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
757 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
760 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
761 r"""_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
762 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
764 _object_types.append(
"FGChain")
767 def _object_cast_to_FGChain(o):
768 r"""_object_cast_to_FGChain(Object o) -> FGChain"""
769 return _IMP_npctransport._object_cast_to_FGChain(o)
771 _object_types.append(
"ParticleFactory")
774 def _object_cast_to_ParticleFactory(o):
775 r"""_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
776 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
779 _plural_types.append(
"Avro2PBReaders")
780 _value_types.append(
"Avro2PBReader")
783 SitesPairScoreParametersList=list
784 _plural_types.append(
"SitesPairScoreParametersList")
785 _value_types.append(
"SitesPairScoreParameters")
788 def Transportings(l=[]):
789 return [Transporting(x)
for x
in l]
790 _plural_types.append(
"Transportings")
793 _value_types.append(
"Transporting")
796 def SlabWithPores(l=[]):
797 return [SlabWithPore(x)
for x
in l]
798 _plural_types.append(
"SlabWithPores")
801 _value_types.append(
"SlabWithPore")
804 def SlabWithCylindricalPores(l=[]):
805 return [SlabWithCylindricalPore(x)
for x
in l]
806 _plural_types.append(
"SlabWithCylindricalPores")
809 _value_types.append(
"SlabWithCylindricalPore")
812 def RelaxingSprings(l=[]):
813 return [RelaxingSpring(x)
for x
in l]
814 _plural_types.append(
"RelaxingSprings")
817 _value_types.append(
"RelaxingSpring")
820 def SlabWithToroidalPores(l=[]):
821 return [SlabWithToroidalPore(x)
for x
in l]
822 _plural_types.append(
"SlabWithToroidalPores")
825 _value_types.append(
"SlabWithToroidalPore")
827 class _DoubleParameter(object):
828 r"""Proxy of C++ IMP::npctransport::Parameter< double > class."""
830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
831 __repr__ = _swig_repr
833 def __init__(self, *args):
835 __init__(_DoubleParameter self) -> _DoubleParameter
836 __init__(_DoubleParameter self, double t) -> _DoubleParameter
838 _IMP_npctransport._DoubleParameter_swiginit(self, _IMP_npctransport.new__DoubleParameter(*args))
841 r"""get_value(_DoubleParameter self) -> double"""
842 return _IMP_npctransport._DoubleParameter_get_value(self)
845 r"""is_init(_DoubleParameter self) -> bool"""
846 return _IMP_npctransport._DoubleParameter_is_init(self)
847 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
850 _IMP_npctransport._DoubleParameter_swigregister(_DoubleParameter)
851 class _IntParameter(object):
852 r"""Proxy of C++ IMP::npctransport::Parameter< int > class."""
854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
855 __repr__ = _swig_repr
857 def __init__(self, *args):
859 __init__(_IntParameter self) -> _IntParameter
860 __init__(_IntParameter self, int t) -> _IntParameter
862 _IMP_npctransport._IntParameter_swiginit(self, _IMP_npctransport.new__IntParameter(*args))
865 r"""get_value(_IntParameter self) -> int"""
866 return _IMP_npctransport._IntParameter_get_value(self)
869 r"""is_init(_IntParameter self) -> bool"""
870 return _IMP_npctransport._IntParameter_is_init(self)
871 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
874 _IMP_npctransport._IntParameter_swigregister(_IntParameter)
875 class _BoolParameter(object):
876 r"""Proxy of C++ IMP::npctransport::Parameter< bool > class."""
878 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
879 __repr__ = _swig_repr
881 def __init__(self, *args):
883 __init__(_BoolParameter self) -> _BoolParameter
884 __init__(_BoolParameter self, bool t) -> _BoolParameter
886 _IMP_npctransport._BoolParameter_swiginit(self, _IMP_npctransport.new__BoolParameter(*args))
889 r"""get_value(_BoolParameter self) -> bool"""
890 return _IMP_npctransport._BoolParameter_get_value(self)
893 r"""is_init(_BoolParameter self) -> bool"""
894 return _IMP_npctransport._BoolParameter_is_init(self)
895 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
898 _IMP_npctransport._BoolParameter_swigregister(_BoolParameter)
901 r"""make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
902 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
905 r"""make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
906 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
910 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
911 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
913 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
915 r"""Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
917 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
919 def __init__(self, *args):
920 r"""__init__(LinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> LinearSoftSpherePairScore"""
921 _IMP_npctransport.LinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_LinearSoftSpherePairScore(*args))
923 def do_get_inputs(self, m, pis):
924 r"""do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
925 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
928 r"""get_k(LinearSoftSpherePairScore self) -> double"""
929 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
931 def get_version_info(self):
932 r"""get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
933 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
934 __swig_destroy__ = _IMP_npctransport.delete_LinearSoftSpherePairScore
937 r"""__str__(LinearSoftSpherePairScore self) -> std::string"""
938 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
941 r"""__repr__(LinearSoftSpherePairScore self) -> std::string"""
942 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
946 return _object_cast_to_LinearSoftSpherePairScore(o)
950 _IMP_npctransport.LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
952 r"""Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
956 def __init__(self, *args):
957 r"""__init__(LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name="LinearIDPairScore%1%") -> LinearInteractionPairScore"""
958 _IMP_npctransport.LinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_LinearInteractionPairScore(*args))
960 def evaluate_if_good_index(self, *args):
962 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
963 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound) -> double
965 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
967 def do_get_inputs(self, m, pis):
968 r"""do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
969 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
971 def get_range_attraction(self):
972 r"""get_range_attraction(LinearInteractionPairScore self) -> double"""
973 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
975 def get_k_attraction(self):
976 r"""get_k_attraction(LinearInteractionPairScore self) -> double"""
977 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
979 def set_k_attraction(self, k_attr):
980 r"""set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
981 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
983 def get_k_repulsion(self):
984 r"""get_k_repulsion(LinearInteractionPairScore self) -> double"""
985 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
987 def set_k_repulsion(self, k_rep):
988 r"""set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
989 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
991 def get_version_info(self):
992 r"""get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
993 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
994 __swig_destroy__ = _IMP_npctransport.delete_LinearInteractionPairScore
997 r"""__str__(LinearInteractionPairScore self) -> std::string"""
998 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
1001 r"""__repr__(LinearInteractionPairScore self) -> std::string"""
1002 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
1006 return _object_cast_to_LinearInteractionPairScore(o)
1010 _IMP_npctransport.LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
1012 r"""Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
1014 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1016 def __init__(self, *args):
1017 r"""__init__(LinearWellPairScore self, double rest_length_factor, double k, std::string name="LinearIDPairScore%1%") -> LinearWellPairScore"""
1018 _IMP_npctransport.LinearWellPairScore_swiginit(self, _IMP_npctransport.new_LinearWellPairScore(*args))
1020 def set_rest_length_factor(self, rest_length_factor):
1021 r"""set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
1022 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
1024 def get_rest_length_factor(self):
1025 r"""get_rest_length_factor(LinearWellPairScore self) -> double"""
1026 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
1029 r"""set_k(LinearWellPairScore self, double k)"""
1030 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
1033 r"""get_k(LinearWellPairScore self) -> double"""
1034 return _IMP_npctransport.LinearWellPairScore_get_k(self)
1036 def do_get_inputs(self, m, pis):
1037 r"""do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1038 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
1040 def get_version_info(self):
1041 r"""get_version_info(LinearWellPairScore self) -> VersionInfo"""
1042 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
1043 __swig_destroy__ = _IMP_npctransport.delete_LinearWellPairScore
1046 r"""__str__(LinearWellPairScore self) -> std::string"""
1047 return _IMP_npctransport.LinearWellPairScore___str__(self)
1050 r"""__repr__(LinearWellPairScore self) -> std::string"""
1051 return _IMP_npctransport.LinearWellPairScore___repr__(self)
1055 return _object_cast_to_LinearWellPairScore(o)
1059 _IMP_npctransport.LinearWellPairScore_swigregister(LinearWellPairScore)
1061 r"""Proxy of C++ IMP::npctransport::RelaxingSpring class."""
1063 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1065 def __init__(self, *args):
1067 __init__(RelaxingSpring self) -> RelaxingSpring
1068 __init__(RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
1069 __init__(RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
1071 _IMP_npctransport.RelaxingSpring_swiginit(self, _IMP_npctransport.new_RelaxingSpring(*args))
1073 def show(self, *args):
1074 r"""show(RelaxingSpring self, _ostream out=std::cout)"""
1075 return _IMP_npctransport.RelaxingSpring_show(self, *args)
1078 def setup_particle(*args):
1080 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1081 setup_particle(_ParticleAdaptor pa, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1083 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1086 def get_is_setup(*args):
1088 get_is_setup(_ParticleAdaptor p) -> bool
1089 get_is_setup(Model m, ParticleIndex pi) -> bool
1091 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1094 def get_bonded_particle_0_key():
1095 r"""get_bonded_particle_0_key() -> ParticleIndexKey"""
1096 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1099 def get_bonded_particle_1_key():
1100 r"""get_bonded_particle_1_key() -> ParticleIndexKey"""
1101 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1104 def get_equilibrium_rest_length_factor_key():
1105 r"""get_equilibrium_rest_length_factor_key() -> FloatKey"""
1106 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1109 def get_rest_length_key():
1110 r"""get_rest_length_key() -> FloatKey"""
1111 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1114 def get_rest_length_diffusion_coefficient_key():
1115 r"""get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1116 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1118 def get_bonded_particle_0(self):
1119 r"""get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1120 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1122 def get_bonded_particle_1(self):
1123 r"""get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1124 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1126 def get_bonded_particle_index_0(self):
1127 r"""get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1128 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1130 def get_bonded_particle_index_1(self):
1131 r"""get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1132 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1134 def get_equilibrium_rest_length_factor(self):
1135 r"""get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1136 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1138 def set_equilibrium_rest_length_factor(self, t):
1139 r"""set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1140 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1142 def get_rest_length(self):
1143 r"""get_rest_length(RelaxingSpring self) -> IMP::Float"""
1144 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1146 def set_rest_length(self, t):
1147 r"""set_rest_length(RelaxingSpring self, IMP::Float t)"""
1148 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1150 def get_rest_length_diffusion_coefficient(self):
1151 r"""get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1152 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1154 def set_rest_length_diffusion_coefficient(self, t):
1155 r"""set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1156 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1158 def add_to_rest_length_derivative(self, d, da):
1159 r"""add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1160 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1162 def get_rest_length_derivative(self):
1163 r"""get_rest_length_derivative(RelaxingSpring self) -> double"""
1164 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1166 def add_attribute(self, *args):
1168 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1169 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1170 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1171 add_attribute(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1172 add_attribute(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1173 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1174 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1175 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1176 add_attribute(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1177 add_attribute(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1178 add_attribute(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1179 add_attribute(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1181 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1183 def get_value(self, *args):
1185 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1186 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1187 get_value(RelaxingSpring self, FloatsKey a0) -> IMP::Floats
1188 get_value(RelaxingSpring self, IntsKey a0) -> IMP::Ints
1189 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1190 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1191 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1192 get_value(RelaxingSpring self, SparseFloatKey a0) -> IMP::Float
1193 get_value(RelaxingSpring self, SparseIntKey a0) -> IMP::Int
1194 get_value(RelaxingSpring self, SparseStringKey a0) -> IMP::String
1195 get_value(RelaxingSpring self, SparseParticleIndexKey a0) -> ParticleIndex
1197 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1199 def set_value(self, *args):
1201 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1202 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1203 set_value(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1204 set_value(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1205 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1206 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1207 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1208 set_value(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1209 set_value(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1210 set_value(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1211 set_value(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1213 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1215 def remove_attribute(self, *args):
1217 remove_attribute(RelaxingSpring self, FloatKey a0)
1218 remove_attribute(RelaxingSpring self, IntKey a0)
1219 remove_attribute(RelaxingSpring self, FloatsKey a0)
1220 remove_attribute(RelaxingSpring self, IntsKey a0)
1221 remove_attribute(RelaxingSpring self, StringKey a0)
1222 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1223 remove_attribute(RelaxingSpring self, ObjectKey a0)
1224 remove_attribute(RelaxingSpring self, SparseFloatKey a0)
1225 remove_attribute(RelaxingSpring self, SparseIntKey a0)
1226 remove_attribute(RelaxingSpring self, SparseStringKey a0)
1227 remove_attribute(RelaxingSpring self, SparseParticleIndexKey a0)
1229 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1231 def has_attribute(self, *args):
1233 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1234 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1235 has_attribute(RelaxingSpring self, FloatsKey a0) -> bool
1236 has_attribute(RelaxingSpring self, IntsKey a0) -> bool
1237 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1238 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1239 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1240 has_attribute(RelaxingSpring self, SparseFloatKey a0) -> bool
1241 has_attribute(RelaxingSpring self, SparseIntKey a0) -> bool
1242 has_attribute(RelaxingSpring self, SparseStringKey a0) -> bool
1243 has_attribute(RelaxingSpring self, SparseParticleIndexKey a0) -> bool
1245 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1247 def get_derivative(self, a0):
1248 r"""get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1249 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1252 r"""get_name(RelaxingSpring self) -> std::string"""
1253 return _IMP_npctransport.RelaxingSpring_get_name(self)
1255 def clear_caches(self):
1256 r"""clear_caches(RelaxingSpring self)"""
1257 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1259 def set_name(self, a0):
1260 r"""set_name(RelaxingSpring self, std::string a0)"""
1261 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1264 r"""set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1265 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1267 def add_to_derivative(self, a0, a1, a2):
1268 r"""add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1269 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1271 def set_is_optimized(self, a0, a1):
1272 r"""set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1273 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1275 def get_is_optimized(self, a0):
1276 r"""get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1277 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1280 r"""get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1281 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1283 def __eq__(self, *args):
1285 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1286 __eq__(RelaxingSpring self, Particle d) -> bool
1288 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1290 def __ne__(self, *args):
1292 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1293 __ne__(RelaxingSpring self, Particle d) -> bool
1295 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1297 def __le__(self, *args):
1299 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1300 __le__(RelaxingSpring self, Particle d) -> bool
1302 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1304 def __lt__(self, *args):
1306 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1307 __lt__(RelaxingSpring self, Particle d) -> bool
1309 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1311 def __ge__(self, *args):
1313 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1314 __ge__(RelaxingSpring self, Particle d) -> bool
1316 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1318 def __gt__(self, *args):
1320 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1321 __gt__(RelaxingSpring self, Particle d) -> bool
1323 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1326 r"""__hash__(RelaxingSpring self) -> std::size_t"""
1327 return _IMP_npctransport.RelaxingSpring___hash__(self)
1330 r"""__str__(RelaxingSpring self) -> std::string"""
1331 return _IMP_npctransport.RelaxingSpring___str__(self)
1334 r"""__repr__(RelaxingSpring self) -> std::string"""
1335 return _IMP_npctransport.RelaxingSpring___repr__(self)
1337 def _get_as_binary(self):
1338 r"""_get_as_binary(RelaxingSpring self) -> PyObject *"""
1339 return _IMP_npctransport.RelaxingSpring__get_as_binary(self)
1341 def _set_from_binary(self, p):
1342 r"""_set_from_binary(RelaxingSpring self, PyObject * p)"""
1343 return _IMP_npctransport.RelaxingSpring__set_from_binary(self, p)
1345 def __getstate__(self):
1346 p = self._get_as_binary()
1347 if len(self.__dict__) > 1:
1348 d = self.__dict__.copy()
1353 def __setstate__(self, p):
1354 if not hasattr(self,
'this'):
1356 if isinstance(p, tuple):
1358 self.__dict__.update(d)
1359 return self._set_from_binary(p)
1361 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1364 _IMP_npctransport.RelaxingSpring_swigregister(RelaxingSpring)
1366 r"""Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1368 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1370 def __init__(self, *args):
1371 r"""__init__(HarmonicSpringSingletonScore self, double k1, double k2, std::string name="HarmonicSpringSingletonScore%1%") -> HarmonicSpringSingletonScore"""
1372 _IMP_npctransport.HarmonicSpringSingletonScore_swiginit(self, _IMP_npctransport.new_HarmonicSpringSingletonScore(*args))
1374 def set_k1(self, k1):
1375 r"""set_k1(HarmonicSpringSingletonScore self, double k1)"""
1376 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1379 r"""get_k1(HarmonicSpringSingletonScore self) -> double"""
1380 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1382 def set_k2(self, k2):
1383 r"""set_k2(HarmonicSpringSingletonScore self, double k2)"""
1384 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1387 r"""get_k2(HarmonicSpringSingletonScore self) -> double"""
1388 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1390 def do_get_inputs(self, m, pis):
1391 r"""do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1392 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1394 def get_version_info(self):
1395 r"""get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1396 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1397 __swig_destroy__ = _IMP_npctransport.delete_HarmonicSpringSingletonScore
1400 r"""__str__(HarmonicSpringSingletonScore self) -> std::string"""
1401 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1404 r"""__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1405 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1409 return _object_cast_to_HarmonicSpringSingletonScore(o)
1413 _IMP_npctransport.HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1414 class LinearInteraction(object):
1415 r"""Proxy of C++ IMP::npctransport::LinearInteraction class."""
1417 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1418 __repr__ = _swig_repr
1420 def __init__(self, *args):
1422 __init__(LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction
1423 __init__(LinearInteraction self) -> LinearInteraction
1425 _IMP_npctransport.LinearInteraction_swiginit(self, _IMP_npctransport.new_LinearInteraction(*args))
1427 def show(self, *args):
1428 r"""show(LinearInteraction self, _ostream out=std::cout)"""
1429 return _IMP_npctransport.LinearInteraction_show(self, *args)
1430 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1433 _IMP_npctransport.LinearInteraction_swigregister(LinearInteraction)
1435 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearSoftSphereScore > class."""
1437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1438 __repr__ = _swig_repr
1440 def __init__(self, *args):
1442 __init__(_DistancePairScoreForLinearSoftSphere self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearSoftSphere
1443 __init__(_DistancePairScoreForLinearSoftSphere self) -> _DistancePairScoreForLinearSoftSphere
1445 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args))
1447 def do_get_inputs(self, m, pis):
1448 r"""do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1449 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1451 def get_score_functor(self):
1452 r"""get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > &"""
1453 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self)
1455 def get_version_info(self):
1456 r"""get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1457 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1458 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearSoftSphere
1461 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1462 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1463 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearInteractionScore > class."""
1465 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1466 __repr__ = _swig_repr
1468 def __init__(self, *args):
1470 __init__(_DistancePairScoreForLinearInteraction self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearInteraction
1471 __init__(_DistancePairScoreForLinearInteraction self) -> _DistancePairScoreForLinearInteraction
1473 _IMP_npctransport._DistancePairScoreForLinearInteraction_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args))
1475 def do_get_inputs(self, m, pis):
1476 r"""do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1477 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1479 def get_score_functor(self):
1480 r"""get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > &"""
1481 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self)
1483 def get_version_info(self):
1484 r"""get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1485 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1486 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearInteraction
1489 _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1490 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1491 r"""Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1495 def __init__(self, *args):
1496 r"""__init__(FunctorLinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> FunctorLinearSoftSpherePairScore"""
1497 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args))
1498 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearSoftSpherePairScore
1501 r"""__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1502 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1505 r"""__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1506 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1510 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1514 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1515 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1516 r"""Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1518 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1520 def __init__(self, *args):
1521 r"""__init__(FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name="LinearSSPairScore%1%") -> FunctorLinearInteractionPairScore"""
1522 _IMP_npctransport.FunctorLinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args))
1523 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearInteractionPairScore
1526 r"""__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1527 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1530 r"""__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1531 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1535 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1539 _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1541 r"""Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1545 def __init__(self, *args):
1546 r"""__init__(BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name="BrownianDynamicsTAMDWithSlabSupport%1%", double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport"""
1547 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swiginit(self, _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args))
1550 r"""__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1551 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1554 r"""__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1555 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1559 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1561 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1564 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1565 class SitesPairScoreParameters(object):
1566 r"""Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1569 r = property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set, doc=
r"""r : double""")
1570 k = property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set, doc=
r"""k : double""")
1571 r2 = property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set, doc=
r"""r2 : double""")
1572 kr = property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set, doc=
r"""kr : double""")
1573 kr2 = property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set, doc=
r"""kr2 : double""")
1574 cosSigma1_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set, doc=
r"""cosSigma1_max : double""")
1575 cosSigma2_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set, doc=
r"""cosSigma2_max : double""")
1576 is_orientational = property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set, doc=
r"""is_orientational : bool""")
1578 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1579 r"""__init__(SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters"""
1580 _IMP_npctransport.SitesPairScoreParameters_swiginit(self, _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg))
1582 def set_range(self, r):
1583 r"""set_range(SitesPairScoreParameters self, double r)"""
1584 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1586 def set_force_coefficient(self, k):
1587 r"""set_force_coefficient(SitesPairScoreParameters self, double k)"""
1588 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1590 def set_sigma1_max(self, sigma1_max_deg):
1591 r"""set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1592 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1594 def set_sigma2_max(self, sigma2_max_deg):
1595 r"""set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1596 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1598 def update_is_orientational(self):
1599 r"""update_is_orientational(SitesPairScoreParameters self)"""
1600 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1602 def show(self, *args):
1603 r"""show(SitesPairScoreParameters self, _ostream out=std::cout)"""
1604 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1607 r"""__str__(SitesPairScoreParameters self) -> std::string"""
1608 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1611 r"""__repr__(SitesPairScoreParameters self) -> std::string"""
1612 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1613 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1616 _IMP_npctransport.SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1618 r"""Proxy of C++ IMP::npctransport::SitesGeometry class."""
1620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1622 def __init__(self, p, sites):
1623 r"""__init__(SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1624 _IMP_npctransport.SitesGeometry_swiginit(self, _IMP_npctransport.new_SitesGeometry(p, sites))
1625 __swig_destroy__ = _IMP_npctransport.delete_SitesGeometry
1628 r"""__str__(SitesGeometry self) -> std::string"""
1629 return _IMP_npctransport.SitesGeometry___str__(self)
1632 r"""__repr__(SitesGeometry self) -> std::string"""
1633 return _IMP_npctransport.SitesGeometry___repr__(self)
1637 return _object_cast_to_SitesGeometry(o)
1641 _IMP_npctransport.SitesGeometry_swigregister(SitesGeometry)
1643 r"""Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1647 def __init__(self, sc):
1648 r"""__init__(TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1649 _IMP_npctransport.TypedSitesGeometry_swiginit(self, _IMP_npctransport.new_TypedSitesGeometry(sc))
1651 def set_sites(self, t, s):
1652 r"""set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1653 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1655 def get_version_info(self):
1656 r"""get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1657 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1658 __swig_destroy__ = _IMP_npctransport.delete_TypedSitesGeometry
1661 r"""__str__(TypedSitesGeometry self) -> std::string"""
1662 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1665 r"""__repr__(TypedSitesGeometry self) -> std::string"""
1666 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1670 return _object_cast_to_TypedSitesGeometry(o)
1674 _IMP_npctransport.TypedSitesGeometry_swigregister(TypedSitesGeometry)
1675 class SitesPairScore(LinearInteractionPairScore):
1676 r"""Proxy of C++ IMP::npctransport::SitesPairScore class."""
1678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1680 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1681 r"""__init__(SitesPairScore self, double range, double k, double sigma0_deg, double sigma1_deg, double range_nonspec_attraction, double k_nonspec_attraction, double k_nonspec_repulsion, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1) -> SitesPairScore"""
1682 _IMP_npctransport.SitesPairScore_swiginit(self, _IMP_npctransport.new_SitesPairScore(range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1))
1684 def get_sites_range(self):
1685 r"""get_sites_range(SitesPairScore self) -> double"""
1686 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1688 def get_sites_k(self):
1689 r"""get_sites_k(SitesPairScore self) -> double"""
1690 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1692 def get_parameters(self):
1693 r"""get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1694 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1695 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScore
1697 def set_sites(self, sites0, sites1):
1698 r"""set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1699 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1701 def set_sites0(self, sites0):
1702 r"""set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1703 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1705 def set_sites1(self, sites1):
1706 r"""set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1707 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1710 r"""__str__(SitesPairScore self) -> std::string"""
1711 return _IMP_npctransport.SitesPairScore___str__(self)
1714 r"""__repr__(SitesPairScore self) -> std::string"""
1715 return _IMP_npctransport.SitesPairScore___repr__(self)
1719 return _object_cast_to_SitesPairScore(o)
1723 _IMP_npctransport.SitesPairScore_swigregister(SitesPairScore)
1725 r"""Proxy of C++ IMP::npctransport::FGChain class."""
1727 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1729 def __init__(self, *args):
1730 r"""__init__(FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name="chain %1%") -> FGChain"""
1731 _IMP_npctransport.FGChain_swiginit(self, _IMP_npctransport.new_FGChain(*args))
1734 r"""get_root(FGChain self) -> Hierarchy"""
1735 return _IMP_npctransport.FGChain_get_root(self)
1737 def get_beads(self):
1738 r"""get_beads(FGChain self) -> IMP::ParticlesTemp"""
1739 return _IMP_npctransport.FGChain_get_beads(self)
1741 def get_bead(self, i):
1742 r"""get_bead(FGChain self, unsigned int i) -> Particle"""
1743 return _IMP_npctransport.FGChain_get_bead(self, i)
1745 def get_bead_index(self, i):
1746 r"""get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1747 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1749 def get_number_of_beads(self):
1750 r"""get_number_of_beads(FGChain self) -> unsigned int"""
1751 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1753 def get_chain_restraints(self, scoring_manager):
1754 r"""get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1755 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1757 def set_rest_length_factor(self, rlf):
1758 r"""set_rest_length_factor(FGChain self, double rlf)"""
1759 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1761 def set_backbone_k(self, k):
1762 r"""set_backbone_k(FGChain self, double k)"""
1763 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1765 def get_rest_length_factor(self):
1766 r"""get_rest_length_factor(FGChain self) -> double"""
1767 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1769 def get_backbone_k(self):
1770 r"""get_backbone_k(FGChain self) -> double"""
1771 return _IMP_npctransport.FGChain_get_backbone_k(self)
1773 def get_version_info(self):
1774 r"""get_version_info(FGChain self) -> VersionInfo"""
1775 return _IMP_npctransport.FGChain_get_version_info(self)
1776 __swig_destroy__ = _IMP_npctransport.delete_FGChain
1779 r"""__str__(FGChain self) -> std::string"""
1780 return _IMP_npctransport.FGChain___str__(self)
1783 r"""__repr__(FGChain self) -> std::string"""
1784 return _IMP_npctransport.FGChain___repr__(self)
1788 return _object_cast_to_FGChain(o)
1792 _IMP_npctransport.FGChain_swigregister(FGChain)
1795 r"""create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1796 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1800 get_fg_chain(Hierarchy root) -> FGChain
1801 get_fg_chain(Particle p_root) -> FGChain
1803 return _IMP_npctransport.get_fg_chain(*args)
1805 r"""Proxy of C++ IMP::npctransport::Scoring class."""
1807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1809 def __init__(self, owner_sd, data):
1810 r"""__init__(Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1811 _IMP_npctransport.Scoring_swiginit(self, _IMP_npctransport.new_Scoring(owner_sd, data))
1813 def get_scoring_function(self, force_update=False):
1814 r"""get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction"""
1815 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1817 def get_scoring_function_restraints(self, force_update=False):
1818 r"""get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints"""
1819 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1821 def get_custom_scoring_function(self, *args):
1823 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, _SingletonContainerAdaptor non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads, bool is_attr_interactions_on=True) -> ScoringFunction
1824 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads, bool is_attr_interactions_on=True) -> ScoringFunction
1826 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1828 def get_close_beads_container(self, update=False):
1829 r"""get_close_beads_container(Scoring self, bool update=False) -> PairContainer"""
1830 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1832 def get_predicates_pair_restraint(self, update=False):
1833 r"""get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint"""
1834 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1836 def get_bounding_volume_restraint(self, update=False):
1837 r"""get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint"""
1838 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1840 def get_slab_restraint(self, update=False):
1841 r"""get_slab_restraint(Scoring self, bool update=False) -> Restraint"""
1842 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1844 def add_interaction(self, idata):
1845 r"""add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1846 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1848 def create_close_beads_container(self, *args):
1850 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1851 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1853 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1855 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1856 r"""create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint"""
1857 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1859 def create_bounding_volume_restraint(self, beads):
1860 r"""create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1861 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1863 def create_slab_restraint(self, beads):
1864 r"""create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1865 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1867 def get_model(self):
1868 r"""get_model(Scoring self) -> Model"""
1869 return _IMP_npctransport.Scoring_get_model(self)
1872 r"""get_sd(Scoring self) -> SimulationData"""
1873 return _IMP_npctransport.Scoring_get_sd(self)
1875 def get_has_bounding_box(self):
1876 r"""get_has_bounding_box(Scoring self) -> bool"""
1877 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1879 def get_has_bounding_sphere(self):
1880 r"""get_has_bounding_sphere(Scoring self) -> bool"""
1881 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1883 def get_has_bounding_volume(self):
1884 r"""get_has_bounding_volume(Scoring self) -> bool"""
1885 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1887 def get_default_backbone_k(self):
1888 r"""get_default_backbone_k(Scoring self) -> double"""
1889 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1891 def get_is_backbone_harmonic(self):
1892 r"""get_is_backbone_harmonic(Scoring self) -> bool"""
1893 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1895 def get_excluded_volume_k(self):
1896 r"""get_excluded_volume_k(Scoring self) -> double"""
1897 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1899 def get_interaction_k(self):
1900 r"""get_interaction_k(Scoring self) -> double"""
1901 return _IMP_npctransport.Scoring_get_interaction_k(self)
1903 def get_predicate_pair_score(self, *args):
1905 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1906 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1908 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1910 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1911 r"""get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double"""
1912 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
1914 def get_ordered_type_pair_predicate(self):
1915 r"""get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
1916 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
1918 def add_chain_restraints(self, chain):
1919 r"""add_chain_restraints(Scoring self, FGChain chain)"""
1920 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
1922 def get_chain_restraints_on(self, beads):
1923 r"""get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
1924 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
1926 def get_all_chain_restraints(self):
1927 r"""get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
1928 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
1930 def remove_particle_type(self, pt):
1931 r"""remove_particle_type(Scoring self, ParticleType pt)"""
1932 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
1934 def add_z_bias_restraint(self, *args):
1936 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k)
1937 add_z_bias_restraint(Scoring self, Particle p, double k)
1939 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
1941 def get_z_bias_restraints(self):
1942 r"""get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
1943 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
1945 def create_z_bias_restraint(self, ps, k):
1946 r"""create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k) -> Restraint"""
1947 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k)
1949 def add_custom_restraint(self, r):
1950 r"""add_custom_restraint(Scoring self, Restraint r)"""
1951 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
1953 def add_custom_restraints(self, R):
1954 r"""add_custom_restraints(Scoring self, IMP::Restraints R)"""
1955 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
1957 def clear_custom_restraints(self):
1958 r"""clear_custom_restraints(Scoring self)"""
1959 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
1961 def get_custom_restraints(self):
1962 r"""get_custom_restraints(Scoring self) -> IMP::Restraints"""
1963 return _IMP_npctransport.Scoring_get_custom_restraints(self)
1965 def add_restrained_anchor_bead(self, p):
1966 r"""add_restrained_anchor_bead(Scoring self, Particle p)"""
1967 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
1969 def get_pore_radius_restraint(self):
1970 r"""get_pore_radius_restraint(Scoring self) -> Restraint"""
1971 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
1973 def get_range(self):
1974 r"""get_range(Scoring self) -> double"""
1975 return _IMP_npctransport.Scoring_get_range(self)
1977 def set_interaction_range_factor(self, type, value):
1978 r"""set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
1979 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
1981 def set_interaction_k_factor(self, type, value):
1982 r"""set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
1983 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
1985 def get_version_info(self):
1986 r"""get_version_info(Scoring self) -> VersionInfo"""
1987 return _IMP_npctransport.Scoring_get_version_info(self)
1988 __swig_destroy__ = _IMP_npctransport.delete_Scoring
1991 r"""__str__(Scoring self) -> std::string"""
1992 return _IMP_npctransport.Scoring___str__(self)
1995 r"""__repr__(Scoring self) -> std::string"""
1996 return _IMP_npctransport.Scoring___repr__(self)
2000 return _object_cast_to_Scoring(o)
2004 _IMP_npctransport.Scoring_swigregister(Scoring)
2005 class SimpleTimer(object):
2006 r"""Proxy of C++ IMP::internal::SimpleTimer class."""
2008 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2009 __repr__ = _swig_repr
2012 r"""__init__(SimpleTimer self) -> SimpleTimer"""
2013 _IMP_npctransport.SimpleTimer_swiginit(self, _IMP_npctransport.new_SimpleTimer())
2014 __swig_destroy__ = _IMP_npctransport.delete_SimpleTimer
2017 _IMP_npctransport.SimpleTimer_swigregister(SimpleTimer)
2019 r"""Proxy of C++ IMP::npctransport::Statistics class."""
2021 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2023 def remove_particle_type(self, pt):
2024 r"""remove_particle_type(Statistics self, ParticleType pt)"""
2025 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2027 def __init__(self, sd, statistics_interval_frames, output_file_name):
2028 r"""__init__(Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2029 _IMP_npctransport.Statistics_swiginit(self, _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name))
2031 def add_fg_chain_stats(self, fg_chain):
2032 r"""add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2033 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2035 def add_floater_stats(self, p):
2036 r"""add_floater_stats(Statistics self, Particle p)"""
2037 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2039 def add_interaction_stats(self, type0, type1):
2040 r"""add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2041 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2043 def add_optimizer_states(self, o=None):
2044 r"""add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates"""
2045 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2047 def update_particle_type_zr_distribution_map(self, p):
2048 r"""update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2049 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2051 def update_particle_type_xyz_distribution_map(self, p):
2052 r"""update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2053 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2055 def update(self, timer, nf_new=1, force_full_output=False):
2056 r"""update(Statistics self, SimpleTimer timer, unsigned int nf_new=1, bool force_full_output=False)"""
2057 return _IMP_npctransport.Statistics_update(self, timer, nf_new, force_full_output)
2059 def reset_statistics_optimizer_states(self):
2060 r"""reset_statistics_optimizer_states(Statistics self)"""
2061 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2063 def set_interrupted(self, tf):
2064 r"""set_interrupted(Statistics self, bool tf)"""
2065 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2067 def get_model(self):
2068 r"""get_model(Statistics self) -> Model"""
2069 return _IMP_npctransport.Statistics_get_model(self)
2072 r"""get_sd(Statistics self) -> SimulationData"""
2073 return _IMP_npctransport.Statistics_get_sd(self)
2075 def get_is_activated(self):
2076 r"""get_is_activated(Statistics self) -> bool"""
2077 return _IMP_npctransport.Statistics_get_is_activated(self)
2079 def get_output_file_name(self):
2080 r"""get_output_file_name(Statistics self) -> std::string"""
2081 return _IMP_npctransport.Statistics_get_output_file_name(self)
2083 def get_version_info(self):
2084 r"""get_version_info(Statistics self) -> VersionInfo"""
2085 return _IMP_npctransport.Statistics_get_version_info(self)
2086 __swig_destroy__ = _IMP_npctransport.delete_Statistics
2089 r"""__str__(Statistics self) -> std::string"""
2090 return _IMP_npctransport.Statistics___str__(self)
2093 r"""__repr__(Statistics self) -> std::string"""
2094 return _IMP_npctransport.Statistics___repr__(self)
2098 return _object_cast_to_Statistics(o)
2102 _IMP_npctransport.Statistics_swigregister(Statistics)
2104 def create_boost_timer():
2105 r"""create_boost_timer() -> SimpleTimer"""
2106 return _IMP_npctransport.create_boost_timer()
2107 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2110 r"""Proxy of C++ IMP::npctransport::SimulationData class."""
2112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2114 def get_output_npctransport_version(self):
2115 r"""get_output_npctransport_version(SimulationData self) -> double"""
2116 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2118 def get_range(self):
2119 r"""get_range(SimulationData self) -> double"""
2120 return _IMP_npctransport.SimulationData_get_range(self)
2122 def get_output_statistics_interval_frames(self):
2123 r"""get_output_statistics_interval_frames(SimulationData self) -> int"""
2124 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2126 def get_full_output_statistics_interval_factor(self):
2127 r"""get_full_output_statistics_interval_factor(SimulationData self) -> int"""
2128 return _IMP_npctransport.SimulationData_get_full_output_statistics_interval_factor(self)
2130 def get_is_multiple_hdf5s(self):
2131 r"""get_is_multiple_hdf5s(SimulationData self) -> bool"""
2132 return _IMP_npctransport.SimulationData_get_is_multiple_hdf5s(self)
2134 def get_is_exclude_floaters_from_slab_initially(self):
2135 r"""get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2136 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2138 def get_are_floaters_on_one_slab_side(self):
2139 r"""get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2140 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2142 def get_is_xyz_hist_stats(self):
2143 r"""get_is_xyz_hist_stats(SimulationData self) -> bool"""
2144 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2146 def get_xyz_stats_crop_factor(self):
2147 r"""get_xyz_stats_crop_factor(SimulationData self) -> double"""
2148 return _IMP_npctransport.SimulationData_get_xyz_stats_crop_factor(self)
2150 def get_xyz_stats_voxel_size_A(self):
2151 r"""get_xyz_stats_voxel_size_A(SimulationData self) -> double"""
2152 return _IMP_npctransport.SimulationData_get_xyz_stats_voxel_size_A(self)
2154 def get_xyz_stats_max_box_size_A(self):
2155 r"""get_xyz_stats_max_box_size_A(SimulationData self) -> double"""
2156 return _IMP_npctransport.SimulationData_get_xyz_stats_max_box_size_A(self)
2158 def get_angular_d_factor(self):
2159 r"""get_angular_d_factor(SimulationData self) -> double"""
2160 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2162 def __init__(self, *args):
2163 r"""__init__(SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name=std::string(), std::string new_output_file="") -> SimulationData"""
2164 _IMP_npctransport.SimulationData_swiginit(self, _IMP_npctransport.new_SimulationData(*args))
2166 def get_model(self):
2167 r"""get_model(SimulationData self) -> Model"""
2168 return _IMP_npctransport.SimulationData_get_model(self)
2170 def get_scoring(self):
2171 r"""get_scoring(SimulationData self) -> Scoring"""
2172 return _IMP_npctransport.SimulationData_get_scoring(self)
2174 def get_statistics(self):
2175 r"""get_statistics(SimulationData self) -> Statistics"""
2176 return _IMP_npctransport.SimulationData_get_statistics(self)
2178 def get_bd(self, recreate=False):
2179 r"""get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics"""
2180 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2182 def activate_statistics(self):
2183 r"""activate_statistics(SimulationData self)"""
2184 return _IMP_npctransport.SimulationData_activate_statistics(self)
2186 def get_statistics_fraction(self):
2187 r"""get_statistics_fraction(SimulationData self) -> double"""
2188 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2190 def get_is_fg_bead(self, *args):
2192 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2193 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2195 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2197 def get_is_fg_chain(self, *args):
2199 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2200 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2202 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2204 def get_fg_bead_types(self):
2205 r"""get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2206 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2208 def get_fg_chain_types(self):
2209 r"""get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2210 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2212 def get_floater_types(self):
2213 r"""get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2214 return _IMP_npctransport.SimulationData_get_floater_types(self)
2216 def get_obstacle_types(self):
2217 r"""get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2218 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2220 def get_fg_chain_roots(self):
2221 r"""get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2222 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2224 def get_fg_chains(self):
2225 r"""get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2226 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2228 def get_obstacle_particles(self):
2229 r"""get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2230 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2232 def get_beads(self):
2233 r"""get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2234 return _IMP_npctransport.SimulationData_get_beads(self)
2236 def get_optimizable_beads(self):
2237 r"""get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2238 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2240 def get_non_optimizable_beads(self):
2241 r"""get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2242 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2244 def get_is_backbone_harmonic(self):
2245 r"""get_is_backbone_harmonic(SimulationData self) -> bool"""
2246 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2248 def get_backbone_tau_ns(self):
2249 r"""get_backbone_tau_ns(SimulationData self) -> double"""
2250 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2252 def get_temperature_k(self):
2253 r"""get_temperature_k(SimulationData self) -> double"""
2254 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2256 def get_initial_simulation_time_ns(self):
2257 r"""get_initial_simulation_time_ns(SimulationData self) -> double"""
2258 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2260 def get_site_centers(self, t0):
2261 r"""get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2262 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2264 def get_sites(self, t0):
2265 r"""get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2266 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2268 def set_sites(self, *args):
2270 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2271 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2273 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2275 def get_site_display_radius(self, arg2):
2276 r"""get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2277 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2279 def get_maximum_number_of_minutes(self):
2280 r"""get_maximum_number_of_minutes(SimulationData self) -> double"""
2281 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2283 def remove_particle_type(self, pt):
2284 r"""remove_particle_type(SimulationData self, ParticleType pt)"""
2285 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2287 def remove_fgs_with_prefix(self, s_fg_type):
2288 r"""remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2289 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2291 def get_bounding_box(self):
2292 r"""get_bounding_box(SimulationData self) -> BoundingBox3D"""
2293 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2295 def get_bounding_sphere(self):
2296 r"""get_bounding_sphere(SimulationData self) -> Sphere3D"""
2297 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2299 def get_bounding_box_size(self):
2300 r"""get_bounding_box_size(SimulationData self) -> double"""
2301 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2303 def set_bounding_box_size(self, box_size):
2304 r"""set_bounding_box_size(SimulationData self, double box_size)"""
2305 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2307 def get_bounding_sphere_radius(self):
2308 r"""get_bounding_sphere_radius(SimulationData self) -> double"""
2309 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2311 def set_bounding_sphere_radius(self, sphere_radius):
2312 r"""set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2313 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2315 def get_bounding_volume(self):
2316 r"""get_bounding_volume(SimulationData self) -> double"""
2317 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2319 def set_bounding_volume(self, volume_A3):
2320 r"""set_bounding_volume(SimulationData self, double volume_A3)"""
2321 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2323 def get_has_slab(self):
2324 r"""get_has_slab(SimulationData self) -> bool"""
2325 return _IMP_npctransport.SimulationData_get_has_slab(self)
2327 def get_is_slab_with_cylindrical_pore(self):
2328 r"""get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2329 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2331 def get_is_slab_with_toroidal_pore(self):
2332 r"""get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2333 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2335 def get_slab_particle(self):
2336 r"""get_slab_particle(SimulationData self) -> Particle"""
2337 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2339 def get_cylinder(self):
2340 r"""get_cylinder(SimulationData self) -> Cylinder3D"""
2341 return _IMP_npctransport.SimulationData_get_cylinder(self)
2343 def get_has_bounding_box(self):
2344 r"""get_has_bounding_box(SimulationData self) -> bool"""
2345 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2347 def get_has_bounding_sphere(self):
2348 r"""get_has_bounding_sphere(SimulationData self) -> bool"""
2349 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2351 def get_has_bounding_volume(self):
2352 r"""get_has_bounding_volume(SimulationData self) -> bool"""
2353 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2355 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2356 r"""initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)"""
2357 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2359 def link_rmf_file_handle(self, fh, is_restraints=True):
2360 r"""link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)"""
2361 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2363 def get_rmf_sos_writer(self):
2364 r"""get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2365 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2367 def reset_rmf(self):
2368 r"""reset_rmf(SimulationData self)"""
2369 return _IMP_npctransport.SimulationData_reset_rmf(self)
2371 def switch_suspend_rmf(self, suspend):
2372 r"""switch_suspend_rmf(SimulationData self, bool suspend)"""
2373 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2375 def write_geometry(self, out):
2376 r"""write_geometry(SimulationData self, std::string out)"""
2377 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2379 def dump_geometry(self):
2380 r"""dump_geometry(SimulationData self)"""
2381 return _IMP_npctransport.SimulationData_dump_geometry(self)
2383 def get_root_of_type(self, type):
2384 r"""get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2385 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2388 r"""get_number_of_frames(SimulationData self) -> unsigned int"""
2389 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2391 def get_number_of_trials(self):
2392 r"""get_number_of_trials(SimulationData self) -> unsigned int"""
2393 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2396 r"""get_root(SimulationData self) -> Hierarchy"""
2397 return _IMP_npctransport.SimulationData_get_root(self)
2399 def get_slab_thickness(self):
2400 r"""get_slab_thickness(SimulationData self) -> double"""
2401 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2403 def get_tunnel_radius(self):
2404 r"""get_tunnel_radius(SimulationData self) -> double"""
2405 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2407 def get_pore_radius(self):
2408 r"""get_pore_radius(SimulationData self) -> double"""
2409 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2411 def get_tunnel_radius_k(self):
2412 r"""get_tunnel_radius_k(SimulationData self) -> double"""
2413 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2415 def get_pore_radius_k(self):
2416 r"""get_pore_radius_k(SimulationData self) -> double"""
2417 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2419 def get_is_pore_radius_dynamic(self):
2420 r"""get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2421 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2423 def get_pore_anchored_beads_k(self):
2424 r"""get_pore_anchored_beads_k(SimulationData self) -> double"""
2425 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2427 def get_static_geometry(self):
2428 r"""get_static_geometry(SimulationData self) -> Geometry"""
2429 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2431 def get_rmf_dump_interval_frames(self):
2432 r"""get_rmf_dump_interval_frames(SimulationData self) -> int"""
2433 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2435 def get_rmf_file_name(self):
2436 r"""get_rmf_file_name(SimulationData self) -> std::string"""
2437 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2439 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2440 r"""set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)"""
2441 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2443 def get_version_info(self):
2444 r"""get_version_info(SimulationData self) -> VersionInfo"""
2445 return _IMP_npctransport.SimulationData_get_version_info(self)
2446 __swig_destroy__ = _IMP_npctransport.delete_SimulationData
2449 r"""__str__(SimulationData self) -> std::string"""
2450 return _IMP_npctransport.SimulationData___str__(self)
2453 r"""__repr__(SimulationData self) -> std::string"""
2454 return _IMP_npctransport.SimulationData___repr__(self)
2458 return _object_cast_to_SimulationData(o)
2462 _IMP_npctransport.SimulationData_swigregister(SimulationData)
2464 def get_simulation_data_key():
2465 r"""get_simulation_data_key() -> IMP::WeakObjectKey"""
2466 return _IMP_npctransport.get_simulation_data_key()
2468 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2469 r"""write_geometry(IMP::ParticlesTemp const & kaps, IMP::algebra::Sphere3Ds const & kap_sites, IMP::ParticlesTemp const & chains, IMP::algebra::Sphere3Ds const & chain_sites, IMP::RestraintsTemp const & rs, Writer out)"""
2470 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2472 r"""Proxy of C++ IMP::npctransport::ParticleFactory class."""
2474 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2475 sd_ = property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set, doc=
r"""sd_ : IMP::WeakPointer<(IMP::npctransport::SimulationData)>""")
2476 radius_ = property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set, doc=
r"""radius_ : double""")
2477 D_factor_ = property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set, doc=
r"""D_factor_ : double""")
2478 angular_D_factor_ = property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set, doc=
r"""angular_D_factor_ : double""")
2479 color_ = property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set, doc=
r"""color_ : IMP::display::Color""")
2480 type_ = property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set, doc=
r"""type_ : IMP::core::ParticleType""")
2482 def __init__(self, *args):
2483 r"""__init__(ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type, std::string name="Particle factory %1%") -> ParticleFactory"""
2484 _IMP_npctransport.ParticleFactory_swiginit(self, _IMP_npctransport.new_ParticleFactory(*args))
2486 def create(self, *args):
2487 r"""create(ParticleFactory self, std::string name="") -> Particle"""
2488 return _IMP_npctransport.ParticleFactory_create(self, *args)
2490 def get_model(self):
2491 r"""get_model(ParticleFactory self) -> Model"""
2492 return _IMP_npctransport.ParticleFactory_get_model(self)
2494 def get_simulation_data(self):
2495 r"""get_simulation_data(ParticleFactory self) -> SimulationData"""
2496 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2498 def get_radius(self):
2499 r"""get_radius(ParticleFactory self) -> double"""
2500 return _IMP_npctransport.ParticleFactory_get_radius(self)
2502 def get_version_info(self):
2503 r"""get_version_info(ParticleFactory self) -> VersionInfo"""
2504 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2505 __swig_destroy__ = _IMP_npctransport.delete_ParticleFactory
2508 r"""__str__(ParticleFactory self) -> std::string"""
2509 return _IMP_npctransport.ParticleFactory___str__(self)
2512 r"""__repr__(ParticleFactory self) -> std::string"""
2513 return _IMP_npctransport.ParticleFactory___repr__(self)
2517 return _object_cast_to_ParticleFactory(o)
2521 _IMP_npctransport.ParticleFactory_swigregister(ParticleFactory)
2523 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2527 def __init__(self, fh):
2528 r"""__init__(HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2529 _IMP_npctransport.HierarchyWithSitesLoadLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh))
2533 r"""get_name() -> char const *"""
2534 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2537 r"""__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2538 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2541 r"""__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2542 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2546 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2548 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2551 _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2553 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2557 def __init__(self, fh):
2558 r"""__init__(HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2559 _IMP_npctransport.HierarchyWithSitesSaveLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh))
2563 r"""get_name() -> char const *"""
2564 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2567 r"""__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2568 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2571 r"""__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2572 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2576 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2578 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2581 _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2585 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2586 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2588 return _IMP_npctransport.add_test_sites(*args)
2592 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2593 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2595 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2598 r"""add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2599 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2602 r"""create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2603 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2606 r"""link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2607 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2609 r"""Proxy of C++ IMP::npctransport::Transporting class."""
2611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2613 def __init__(self, *args):
2615 __init__(Transporting self) -> Transporting
2616 __init__(Transporting self, Model m, ParticleIndex id) -> Transporting
2617 __init__(Transporting self, _ParticleAdaptor d) -> Transporting
2619 _IMP_npctransport.Transporting_swiginit(self, _IMP_npctransport.new_Transporting(*args))
2621 def show(self, *args):
2622 r"""show(Transporting self, _ostream out=std::cout)"""
2623 return _IMP_npctransport.Transporting_show(self, *args)
2626 def setup_particle(*args):
2628 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2629 setup_particle(_ParticleAdaptor pa, bool is_last_entry_from_top=False) -> Transporting
2631 return _IMP_npctransport.Transporting_setup_particle(*args)
2634 def get_is_setup(*args):
2636 get_is_setup(_ParticleAdaptor p) -> bool
2637 get_is_setup(Model m, ParticleIndex pi) -> bool
2639 return _IMP_npctransport.Transporting_get_is_setup(*args)
2641 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2642 r"""set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2643 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2645 def get_is_last_entry_from_top(self):
2646 r"""get_is_last_entry_from_top(Transporting self) -> bool"""
2647 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2650 def get_is_last_entry_from_top_key():
2651 r"""get_is_last_entry_from_top_key() -> IntKey"""
2652 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2654 def set_last_tracked_z(self, last_tracked_z):
2655 r"""set_last_tracked_z(Transporting self, double last_tracked_z)"""
2656 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2658 def get_last_tracked_z(self):
2659 r"""get_last_tracked_z(Transporting self) -> double"""
2660 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2663 def get_last_tracked_z_key():
2664 r"""get_last_tracked_z_key() -> FloatKey"""
2665 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2667 def set_n_entries_bottom(self, n):
2668 r"""set_n_entries_bottom(Transporting self, int n)"""
2669 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2671 def get_n_entries_bottom(self):
2672 r"""get_n_entries_bottom(Transporting self) -> int"""
2673 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2676 def get_n_entries_bottom_key():
2677 r"""get_n_entries_bottom_key() -> IntKey"""
2678 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2680 def set_n_entries_top(self, n):
2681 r"""set_n_entries_top(Transporting self, int n)"""
2682 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2684 def get_n_entries_top(self):
2685 r"""get_n_entries_top(Transporting self) -> int"""
2686 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2689 def get_n_entries_top_key():
2690 r"""get_n_entries_top_key() -> IntKey"""
2691 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2693 def add_attribute(self, *args):
2695 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2696 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2697 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2698 add_attribute(Transporting self, FloatsKey a0, IMP::Floats a1)
2699 add_attribute(Transporting self, IntsKey a0, IMP::Ints a1)
2700 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2701 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2702 add_attribute(Transporting self, ObjectKey a0, Object a1)
2703 add_attribute(Transporting self, SparseFloatKey a0, IMP::Float a1)
2704 add_attribute(Transporting self, SparseIntKey a0, IMP::Int a1)
2705 add_attribute(Transporting self, SparseStringKey a0, IMP::String a1)
2706 add_attribute(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2708 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2710 def get_value(self, *args):
2712 get_value(Transporting self, FloatKey a0) -> IMP::Float
2713 get_value(Transporting self, IntKey a0) -> IMP::Int
2714 get_value(Transporting self, FloatsKey a0) -> IMP::Floats
2715 get_value(Transporting self, IntsKey a0) -> IMP::Ints
2716 get_value(Transporting self, StringKey a0) -> IMP::String
2717 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2718 get_value(Transporting self, ObjectKey a0) -> Object
2719 get_value(Transporting self, SparseFloatKey a0) -> IMP::Float
2720 get_value(Transporting self, SparseIntKey a0) -> IMP::Int
2721 get_value(Transporting self, SparseStringKey a0) -> IMP::String
2722 get_value(Transporting self, SparseParticleIndexKey a0) -> ParticleIndex
2724 return _IMP_npctransport.Transporting_get_value(self, *args)
2726 def set_value(self, *args):
2728 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2729 set_value(Transporting self, IntKey a0, IMP::Int a1)
2730 set_value(Transporting self, FloatsKey a0, IMP::Floats a1)
2731 set_value(Transporting self, IntsKey a0, IMP::Ints a1)
2732 set_value(Transporting self, StringKey a0, IMP::String a1)
2733 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2734 set_value(Transporting self, ObjectKey a0, Object a1)
2735 set_value(Transporting self, SparseFloatKey a0, IMP::Float a1)
2736 set_value(Transporting self, SparseIntKey a0, IMP::Int a1)
2737 set_value(Transporting self, SparseStringKey a0, IMP::String a1)
2738 set_value(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2740 return _IMP_npctransport.Transporting_set_value(self, *args)
2742 def remove_attribute(self, *args):
2744 remove_attribute(Transporting self, FloatKey a0)
2745 remove_attribute(Transporting self, IntKey a0)
2746 remove_attribute(Transporting self, FloatsKey a0)
2747 remove_attribute(Transporting self, IntsKey a0)
2748 remove_attribute(Transporting self, StringKey a0)
2749 remove_attribute(Transporting self, ParticleIndexKey a0)
2750 remove_attribute(Transporting self, ObjectKey a0)
2751 remove_attribute(Transporting self, SparseFloatKey a0)
2752 remove_attribute(Transporting self, SparseIntKey a0)
2753 remove_attribute(Transporting self, SparseStringKey a0)
2754 remove_attribute(Transporting self, SparseParticleIndexKey a0)
2756 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2758 def has_attribute(self, *args):
2760 has_attribute(Transporting self, FloatKey a0) -> bool
2761 has_attribute(Transporting self, IntKey a0) -> bool
2762 has_attribute(Transporting self, FloatsKey a0) -> bool
2763 has_attribute(Transporting self, IntsKey a0) -> bool
2764 has_attribute(Transporting self, StringKey a0) -> bool
2765 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2766 has_attribute(Transporting self, ObjectKey a0) -> bool
2767 has_attribute(Transporting self, SparseFloatKey a0) -> bool
2768 has_attribute(Transporting self, SparseIntKey a0) -> bool
2769 has_attribute(Transporting self, SparseStringKey a0) -> bool
2770 has_attribute(Transporting self, SparseParticleIndexKey a0) -> bool
2772 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2774 def get_derivative(self, a0):
2775 r"""get_derivative(Transporting self, FloatKey a0) -> double"""
2776 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2779 r"""get_name(Transporting self) -> std::string"""
2780 return _IMP_npctransport.Transporting_get_name(self)
2782 def clear_caches(self):
2783 r"""clear_caches(Transporting self)"""
2784 return _IMP_npctransport.Transporting_clear_caches(self)
2786 def set_name(self, a0):
2787 r"""set_name(Transporting self, std::string a0)"""
2788 return _IMP_npctransport.Transporting_set_name(self, a0)
2791 r"""set_check_level(Transporting self, IMP::CheckLevel a0)"""
2792 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2794 def add_to_derivative(self, a0, a1, a2):
2795 r"""add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2796 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2798 def set_is_optimized(self, a0, a1):
2799 r"""set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
2800 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
2802 def get_is_optimized(self, a0):
2803 r"""get_is_optimized(Transporting self, FloatKey a0) -> bool"""
2804 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
2807 r"""get_check_level(Transporting self) -> IMP::CheckLevel"""
2808 return _IMP_npctransport.Transporting_get_check_level(self)
2810 def __eq__(self, *args):
2812 __eq__(Transporting self, Transporting o) -> bool
2813 __eq__(Transporting self, Particle d) -> bool
2815 return _IMP_npctransport.Transporting___eq__(self, *args)
2817 def __ne__(self, *args):
2819 __ne__(Transporting self, Transporting o) -> bool
2820 __ne__(Transporting self, Particle d) -> bool
2822 return _IMP_npctransport.Transporting___ne__(self, *args)
2824 def __le__(self, *args):
2826 __le__(Transporting self, Transporting o) -> bool
2827 __le__(Transporting self, Particle d) -> bool
2829 return _IMP_npctransport.Transporting___le__(self, *args)
2831 def __lt__(self, *args):
2833 __lt__(Transporting self, Transporting o) -> bool
2834 __lt__(Transporting self, Particle d) -> bool
2836 return _IMP_npctransport.Transporting___lt__(self, *args)
2838 def __ge__(self, *args):
2840 __ge__(Transporting self, Transporting o) -> bool
2841 __ge__(Transporting self, Particle d) -> bool
2843 return _IMP_npctransport.Transporting___ge__(self, *args)
2845 def __gt__(self, *args):
2847 __gt__(Transporting self, Transporting o) -> bool
2848 __gt__(Transporting self, Particle d) -> bool
2850 return _IMP_npctransport.Transporting___gt__(self, *args)
2853 r"""__hash__(Transporting self) -> std::size_t"""
2854 return _IMP_npctransport.Transporting___hash__(self)
2857 r"""__str__(Transporting self) -> std::string"""
2858 return _IMP_npctransport.Transporting___str__(self)
2861 r"""__repr__(Transporting self) -> std::string"""
2862 return _IMP_npctransport.Transporting___repr__(self)
2864 def _get_as_binary(self):
2865 r"""_get_as_binary(Transporting self) -> PyObject *"""
2866 return _IMP_npctransport.Transporting__get_as_binary(self)
2868 def _set_from_binary(self, p):
2869 r"""_set_from_binary(Transporting self, PyObject * p)"""
2870 return _IMP_npctransport.Transporting__set_from_binary(self, p)
2872 def __getstate__(self):
2873 p = self._get_as_binary()
2874 if len(self.__dict__) > 1:
2875 d = self.__dict__.copy()
2880 def __setstate__(self, p):
2881 if not hasattr(self,
'this'):
2883 if isinstance(p, tuple):
2885 self.__dict__.update(d)
2886 return self._set_from_binary(p)
2888 __swig_destroy__ = _IMP_npctransport.delete_Transporting
2891 _IMP_npctransport.Transporting_swigregister(Transporting)
2893 def show_ranges(fname):
2894 r"""show_ranges(std::string fname)"""
2895 return _IMP_npctransport.show_ranges(fname)
2897 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
2898 r"""assign_ranges(std::string input_config_fname, std::string output_assignment_fname, unsigned int work_unit, bool show_steps, boost::uint64_t random_seed) -> int"""
2899 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
2901 def get_number_of_work_units(configuration_file):
2902 r"""get_number_of_work_units(std::string configuration_file) -> int"""
2903 return _IMP_npctransport.get_number_of_work_units(configuration_file)
2905 r"""Proxy of C++ IMP::npctransport::SlabWithPore class."""
2907 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2909 def __init__(self, *args):
2911 __init__(SlabWithPore self) -> SlabWithPore
2912 __init__(SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
2913 __init__(SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
2915 _IMP_npctransport.SlabWithPore_swiginit(self, _IMP_npctransport.new_SlabWithPore(*args))
2917 def show(self, *args):
2918 r"""show(SlabWithPore self, _ostream out=std::cout)"""
2919 return _IMP_npctransport.SlabWithPore_show(self, *args)
2922 def setup_particle(*args):
2924 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
2925 setup_particle(_ParticleAdaptor pa, double thickness, double pore_radius) -> SlabWithPore
2927 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
2930 def get_is_setup(*args):
2932 get_is_setup(_ParticleAdaptor p) -> bool
2933 get_is_setup(Model m, ParticleIndex pi) -> bool
2935 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
2937 def set_thickness(self, thickness):
2938 r"""set_thickness(SlabWithPore self, double thickness)"""
2939 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
2941 def get_thickness(self):
2942 r"""get_thickness(SlabWithPore self) -> IMP::Float"""
2943 return _IMP_npctransport.SlabWithPore_get_thickness(self)
2945 def get_pore_radius(self):
2946 r"""get_pore_radius(SlabWithPore self) -> IMP::Float"""
2947 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
2949 def set_pore_radius(self, r):
2950 r"""set_pore_radius(SlabWithPore self, double r)"""
2951 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
2953 def add_to_pore_radius_derivative(self, v, d):
2954 r"""add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
2955 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
2957 def get_pore_radius_is_optimized(self):
2958 r"""get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
2959 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
2961 def set_pore_radius_is_optimized(self, tf):
2962 r"""set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
2963 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
2966 def get_thickness_key():
2967 r"""get_thickness_key() -> FloatKey"""
2968 return _IMP_npctransport.SlabWithPore_get_thickness_key()
2971 def get_pore_radius_key():
2972 r"""get_pore_radius_key() -> FloatKey"""
2973 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
2975 def add_attribute(self, *args):
2977 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
2978 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
2979 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
2980 add_attribute(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
2981 add_attribute(SlabWithPore self, IntsKey a0, IMP::Ints a1)
2982 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
2983 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
2984 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
2985 add_attribute(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
2986 add_attribute(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
2987 add_attribute(SlabWithPore self, SparseStringKey a0, IMP::String a1)
2988 add_attribute(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
2990 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
2992 def get_value(self, *args):
2994 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
2995 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
2996 get_value(SlabWithPore self, FloatsKey a0) -> IMP::Floats
2997 get_value(SlabWithPore self, IntsKey a0) -> IMP::Ints
2998 get_value(SlabWithPore self, StringKey a0) -> IMP::String
2999 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3000 get_value(SlabWithPore self, ObjectKey a0) -> Object
3001 get_value(SlabWithPore self, SparseFloatKey a0) -> IMP::Float
3002 get_value(SlabWithPore self, SparseIntKey a0) -> IMP::Int
3003 get_value(SlabWithPore self, SparseStringKey a0) -> IMP::String
3004 get_value(SlabWithPore self, SparseParticleIndexKey a0) -> ParticleIndex
3006 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3008 def set_value(self, *args):
3010 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3011 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3012 set_value(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3013 set_value(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3014 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3015 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3016 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3017 set_value(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3018 set_value(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3019 set_value(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3020 set_value(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3022 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3024 def remove_attribute(self, *args):
3026 remove_attribute(SlabWithPore self, FloatKey a0)
3027 remove_attribute(SlabWithPore self, IntKey a0)
3028 remove_attribute(SlabWithPore self, FloatsKey a0)
3029 remove_attribute(SlabWithPore self, IntsKey a0)
3030 remove_attribute(SlabWithPore self, StringKey a0)
3031 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3032 remove_attribute(SlabWithPore self, ObjectKey a0)
3033 remove_attribute(SlabWithPore self, SparseFloatKey a0)
3034 remove_attribute(SlabWithPore self, SparseIntKey a0)
3035 remove_attribute(SlabWithPore self, SparseStringKey a0)
3036 remove_attribute(SlabWithPore self, SparseParticleIndexKey a0)
3038 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3040 def has_attribute(self, *args):
3042 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3043 has_attribute(SlabWithPore self, IntKey a0) -> bool
3044 has_attribute(SlabWithPore self, FloatsKey a0) -> bool
3045 has_attribute(SlabWithPore self, IntsKey a0) -> bool
3046 has_attribute(SlabWithPore self, StringKey a0) -> bool
3047 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3048 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3049 has_attribute(SlabWithPore self, SparseFloatKey a0) -> bool
3050 has_attribute(SlabWithPore self, SparseIntKey a0) -> bool
3051 has_attribute(SlabWithPore self, SparseStringKey a0) -> bool
3052 has_attribute(SlabWithPore self, SparseParticleIndexKey a0) -> bool
3054 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3056 def get_derivative(self, a0):
3057 r"""get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3058 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3061 r"""get_name(SlabWithPore self) -> std::string"""
3062 return _IMP_npctransport.SlabWithPore_get_name(self)
3064 def clear_caches(self):
3065 r"""clear_caches(SlabWithPore self)"""
3066 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3068 def set_name(self, a0):
3069 r"""set_name(SlabWithPore self, std::string a0)"""
3070 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3073 r"""set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3074 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3076 def add_to_derivative(self, a0, a1, a2):
3077 r"""add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3078 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3080 def set_is_optimized(self, a0, a1):
3081 r"""set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3082 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3084 def get_is_optimized(self, a0):
3085 r"""get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3086 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3089 r"""get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3090 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3092 def __eq__(self, *args):
3094 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3095 __eq__(SlabWithPore self, Particle d) -> bool
3097 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3099 def __ne__(self, *args):
3101 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3102 __ne__(SlabWithPore self, Particle d) -> bool
3104 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3106 def __le__(self, *args):
3108 __le__(SlabWithPore self, SlabWithPore o) -> bool
3109 __le__(SlabWithPore self, Particle d) -> bool
3111 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3113 def __lt__(self, *args):
3115 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3116 __lt__(SlabWithPore self, Particle d) -> bool
3118 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3120 def __ge__(self, *args):
3122 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3123 __ge__(SlabWithPore self, Particle d) -> bool
3125 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3127 def __gt__(self, *args):
3129 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3130 __gt__(SlabWithPore self, Particle d) -> bool
3132 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3135 r"""__hash__(SlabWithPore self) -> std::size_t"""
3136 return _IMP_npctransport.SlabWithPore___hash__(self)
3139 r"""__str__(SlabWithPore self) -> std::string"""
3140 return _IMP_npctransport.SlabWithPore___str__(self)
3143 r"""__repr__(SlabWithPore self) -> std::string"""
3144 return _IMP_npctransport.SlabWithPore___repr__(self)
3146 def _get_as_binary(self):
3147 r"""_get_as_binary(SlabWithPore self) -> PyObject *"""
3148 return _IMP_npctransport.SlabWithPore__get_as_binary(self)
3150 def _set_from_binary(self, p):
3151 r"""_set_from_binary(SlabWithPore self, PyObject * p)"""
3152 return _IMP_npctransport.SlabWithPore__set_from_binary(self, p)
3154 def __getstate__(self):
3155 p = self._get_as_binary()
3156 if len(self.__dict__) > 1:
3157 d = self.__dict__.copy()
3162 def __setstate__(self, p):
3163 if not hasattr(self,
'this'):
3165 if isinstance(p, tuple):
3167 self.__dict__.update(d)
3168 return self._set_from_binary(p)
3170 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3173 _IMP_npctransport.SlabWithPore_swigregister(SlabWithPore)
3174 class SlabWithCylindricalPore(SlabWithPore):
3175 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3177 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3179 def __init__(self, *args):
3181 __init__(SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3182 __init__(SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3183 __init__(SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3185 _IMP_npctransport.SlabWithCylindricalPore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPore(*args))
3187 def show(self, *args):
3188 r"""show(SlabWithCylindricalPore self, _ostream out=std::cout)"""
3189 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3192 def setup_particle(*args):
3194 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3195 setup_particle(_ParticleAdaptor pa, double thickness, double radius) -> SlabWithCylindricalPore
3197 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3200 def get_is_setup(*args):
3202 get_is_setup(_ParticleAdaptor p) -> bool
3203 get_is_setup(Model m, ParticleIndex pi) -> bool
3205 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3208 def get_cylindrical_pore_key():
3209 r"""get_cylindrical_pore_key() -> IntKey"""
3210 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3212 def add_attribute(self, *args):
3214 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3215 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3216 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3217 add_attribute(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3218 add_attribute(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3219 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3220 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3221 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3222 add_attribute(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3223 add_attribute(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3224 add_attribute(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3225 add_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3227 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3229 def get_value(self, *args):
3231 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3232 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3233 get_value(SlabWithCylindricalPore self, FloatsKey a0) -> IMP::Floats
3234 get_value(SlabWithCylindricalPore self, IntsKey a0) -> IMP::Ints
3235 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3236 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3237 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3238 get_value(SlabWithCylindricalPore self, SparseFloatKey a0) -> IMP::Float
3239 get_value(SlabWithCylindricalPore self, SparseIntKey a0) -> IMP::Int
3240 get_value(SlabWithCylindricalPore self, SparseStringKey a0) -> IMP::String
3241 get_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3243 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3245 def set_value(self, *args):
3247 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3248 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3249 set_value(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3250 set_value(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3251 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3252 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3253 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3254 set_value(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3255 set_value(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3256 set_value(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3257 set_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3259 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3261 def remove_attribute(self, *args):
3263 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3264 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3265 remove_attribute(SlabWithCylindricalPore self, FloatsKey a0)
3266 remove_attribute(SlabWithCylindricalPore self, IntsKey a0)
3267 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3268 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3269 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3270 remove_attribute(SlabWithCylindricalPore self, SparseFloatKey a0)
3271 remove_attribute(SlabWithCylindricalPore self, SparseIntKey a0)
3272 remove_attribute(SlabWithCylindricalPore self, SparseStringKey a0)
3273 remove_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0)
3275 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3277 def has_attribute(self, *args):
3279 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3280 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3281 has_attribute(SlabWithCylindricalPore self, FloatsKey a0) -> bool
3282 has_attribute(SlabWithCylindricalPore self, IntsKey a0) -> bool
3283 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3284 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3285 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3286 has_attribute(SlabWithCylindricalPore self, SparseFloatKey a0) -> bool
3287 has_attribute(SlabWithCylindricalPore self, SparseIntKey a0) -> bool
3288 has_attribute(SlabWithCylindricalPore self, SparseStringKey a0) -> bool
3289 has_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> bool
3291 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3293 def get_derivative(self, a0):
3294 r"""get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3295 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3298 r"""get_name(SlabWithCylindricalPore self) -> std::string"""
3299 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3301 def clear_caches(self):
3302 r"""clear_caches(SlabWithCylindricalPore self)"""
3303 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3305 def set_name(self, a0):
3306 r"""set_name(SlabWithCylindricalPore self, std::string a0)"""
3307 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3310 r"""set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3311 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3313 def add_to_derivative(self, a0, a1, a2):
3314 r"""add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3315 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3317 def set_is_optimized(self, a0, a1):
3318 r"""set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3319 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3321 def get_is_optimized(self, a0):
3322 r"""get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3323 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3326 r"""get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3327 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3329 def __eq__(self, *args):
3331 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3332 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3334 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3336 def __ne__(self, *args):
3338 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3339 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3341 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3343 def __le__(self, *args):
3345 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3346 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3348 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3350 def __lt__(self, *args):
3352 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3353 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3355 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3357 def __ge__(self, *args):
3359 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3360 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3362 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3364 def __gt__(self, *args):
3366 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3367 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3369 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3372 r"""__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3373 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3376 r"""__str__(SlabWithCylindricalPore self) -> std::string"""
3377 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3380 r"""__repr__(SlabWithCylindricalPore self) -> std::string"""
3381 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3383 def _get_as_binary(self):
3384 r"""_get_as_binary(SlabWithCylindricalPore self) -> PyObject *"""
3385 return _IMP_npctransport.SlabWithCylindricalPore__get_as_binary(self)
3387 def _set_from_binary(self, p):
3388 r"""_set_from_binary(SlabWithCylindricalPore self, PyObject * p)"""
3389 return _IMP_npctransport.SlabWithCylindricalPore__set_from_binary(self, p)
3391 def __getstate__(self):
3392 p = self._get_as_binary()
3393 if len(self.__dict__) > 1:
3394 d = self.__dict__.copy()
3399 def __setstate__(self, p):
3400 if not hasattr(self,
'this'):
3402 if isinstance(p, tuple):
3404 self.__dict__.update(d)
3405 return self._set_from_binary(p)
3407 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3410 _IMP_npctransport.SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3411 class SlabWithToroidalPore(SlabWithPore):
3412 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3416 def __init__(self, *args):
3418 __init__(SlabWithToroidalPore self) -> SlabWithToroidalPore
3419 __init__(SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3420 __init__(SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3422 _IMP_npctransport.SlabWithToroidalPore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPore(*args))
3424 def show(self, *args):
3425 r"""show(SlabWithToroidalPore self, _ostream out=std::cout)"""
3426 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3429 def setup_particle(*args):
3431 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3432 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius) -> SlabWithToroidalPore
3433 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3434 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3436 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3439 def get_is_setup(*args):
3441 get_is_setup(_ParticleAdaptor p) -> bool
3442 get_is_setup(Model m, ParticleIndex pi) -> bool
3444 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3446 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3447 r"""set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3448 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3450 def get_minor_radius_h2v_aspect_ratio(self):
3451 r"""get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3452 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3454 def get_vertical_minor_radius(self):
3455 r"""get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3456 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3458 def set_vertical_minor_radius(self, rv):
3459 r"""set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3460 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3462 def get_horizontal_minor_radius(self):
3463 r"""get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3464 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3466 def set_horizontal_minor_radius(self, rh):
3467 r"""set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3468 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3471 def get_minor_radius_h2v_aspect_ratio_key():
3472 r"""get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3473 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3476 def get_toroidal_pore_key():
3477 r"""get_toroidal_pore_key() -> IntKey"""
3478 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3480 def add_attribute(self, *args):
3482 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3483 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3484 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3485 add_attribute(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3486 add_attribute(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3487 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3488 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3489 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3490 add_attribute(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3491 add_attribute(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3492 add_attribute(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3493 add_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3495 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3497 def get_value(self, *args):
3499 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3500 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3501 get_value(SlabWithToroidalPore self, FloatsKey a0) -> IMP::Floats
3502 get_value(SlabWithToroidalPore self, IntsKey a0) -> IMP::Ints
3503 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3504 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3505 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3506 get_value(SlabWithToroidalPore self, SparseFloatKey a0) -> IMP::Float
3507 get_value(SlabWithToroidalPore self, SparseIntKey a0) -> IMP::Int
3508 get_value(SlabWithToroidalPore self, SparseStringKey a0) -> IMP::String
3509 get_value(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3511 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3513 def set_value(self, *args):
3515 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3516 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3517 set_value(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3518 set_value(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3519 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3520 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3521 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3522 set_value(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3523 set_value(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3524 set_value(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3525 set_value(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3527 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3529 def remove_attribute(self, *args):
3531 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3532 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3533 remove_attribute(SlabWithToroidalPore self, FloatsKey a0)
3534 remove_attribute(SlabWithToroidalPore self, IntsKey a0)
3535 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3536 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3537 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3538 remove_attribute(SlabWithToroidalPore self, SparseFloatKey a0)
3539 remove_attribute(SlabWithToroidalPore self, SparseIntKey a0)
3540 remove_attribute(SlabWithToroidalPore self, SparseStringKey a0)
3541 remove_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0)
3543 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3545 def has_attribute(self, *args):
3547 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3548 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3549 has_attribute(SlabWithToroidalPore self, FloatsKey a0) -> bool
3550 has_attribute(SlabWithToroidalPore self, IntsKey a0) -> bool
3551 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3552 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3553 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3554 has_attribute(SlabWithToroidalPore self, SparseFloatKey a0) -> bool
3555 has_attribute(SlabWithToroidalPore self, SparseIntKey a0) -> bool
3556 has_attribute(SlabWithToroidalPore self, SparseStringKey a0) -> bool
3557 has_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> bool
3559 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3561 def get_derivative(self, a0):
3562 r"""get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3563 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3566 r"""get_name(SlabWithToroidalPore self) -> std::string"""
3567 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3569 def clear_caches(self):
3570 r"""clear_caches(SlabWithToroidalPore self)"""
3571 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3573 def set_name(self, a0):
3574 r"""set_name(SlabWithToroidalPore self, std::string a0)"""
3575 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3578 r"""set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3579 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3581 def add_to_derivative(self, a0, a1, a2):
3582 r"""add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3583 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3585 def set_is_optimized(self, a0, a1):
3586 r"""set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3587 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3589 def get_is_optimized(self, a0):
3590 r"""get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3591 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3594 r"""get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3595 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3597 def __eq__(self, *args):
3599 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3600 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3602 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3604 def __ne__(self, *args):
3606 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3607 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3609 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3611 def __le__(self, *args):
3613 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3614 __le__(SlabWithToroidalPore self, Particle d) -> bool
3616 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3618 def __lt__(self, *args):
3620 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3621 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3623 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3625 def __ge__(self, *args):
3627 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3628 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3630 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3632 def __gt__(self, *args):
3634 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3635 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3637 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3640 r"""__hash__(SlabWithToroidalPore self) -> std::size_t"""
3641 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3644 r"""__str__(SlabWithToroidalPore self) -> std::string"""
3645 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3648 r"""__repr__(SlabWithToroidalPore self) -> std::string"""
3649 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3651 def _get_as_binary(self):
3652 r"""_get_as_binary(SlabWithToroidalPore self) -> PyObject *"""
3653 return _IMP_npctransport.SlabWithToroidalPore__get_as_binary(self)
3655 def _set_from_binary(self, p):
3656 r"""_set_from_binary(SlabWithToroidalPore self, PyObject * p)"""
3657 return _IMP_npctransport.SlabWithToroidalPore__set_from_binary(self, p)
3659 def __getstate__(self):
3660 p = self._get_as_binary()
3661 if len(self.__dict__) > 1:
3662 d = self.__dict__.copy()
3667 def __setstate__(self, p):
3668 if not hasattr(self,
'this'):
3670 if isinstance(p, tuple):
3672 self.__dict__.update(d)
3673 return self._set_from_binary(p)
3675 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3678 _IMP_npctransport.SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3680 def __lshift__(*args):
3682 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3683 __lshift__(_ostream out, Transporting n) -> _ostream
3684 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3685 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3686 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3688 return _IMP_npctransport.__lshift__(*args)
3690 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3692 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3694 def __init__(self, k):
3695 r"""__init__(SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3696 _IMP_npctransport.SlabWithCylindricalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k))
3698 def get_displacement_direction(self, slab, v):
3699 r"""get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3700 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3702 def get_displacement_magnitude(self, slab, v):
3703 r"""get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3704 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3706 def do_get_inputs(self, m, pis):
3707 r"""do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3708 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3710 def get_version_info(self):
3711 r"""get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3712 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3713 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPorePairScore
3716 r"""__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3717 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3720 r"""__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3721 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3725 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3729 _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3731 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3733 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3735 def __init__(self, k):
3736 r"""__init__(SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3737 _IMP_npctransport.SlabWithToroidalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPorePairScore(k))
3739 def do_get_inputs(self, m, pis):
3740 r"""do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3741 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3743 def get_version_info(self):
3744 r"""get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3745 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
3746 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPorePairScore
3749 r"""__str__(SlabWithToroidalPorePairScore self) -> std::string"""
3750 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
3753 r"""__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
3754 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
3758 return _object_cast_to_SlabWithToroidalPorePairScore(o)
3762 _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
3764 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
3766 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3768 def __init__(self, height, radius, length):
3769 r"""__init__(SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
3770 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length))
3772 def get_version_info(self):
3773 r"""get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
3774 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
3775 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreWireGeometry
3778 r"""__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3779 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
3782 r"""__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3783 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
3787 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
3791 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
3793 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
3795 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3797 def __init__(self, height, radius, length):
3798 r"""__init__(SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
3799 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length))
3802 r"""__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3803 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
3806 r"""__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3807 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
3811 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
3813 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
3816 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
3818 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
3820 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3822 def __init__(self, *args):
3824 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
3825 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
3827 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args))
3829 def get_version_info(self):
3830 r"""get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
3831 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
3832 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPoreWireGeometry
3835 r"""__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3836 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
3839 r"""__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3840 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
3844 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
3848 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
3850 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< IMP::core::Harmonic > class."""
3852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3853 __repr__ = _swig_repr
3855 def __init__(self, f, k):
3856 r"""__init__(_GenericAttributeSingletonScoreForPoreRadus self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
3857 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swiginit(self, _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k))
3859 def do_get_inputs(self, m, pis):
3860 r"""do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3861 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
3863 def get_unary_function(self):
3864 r"""get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
3865 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
3867 def get_version_info(self):
3868 r"""get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
3869 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
3870 __swig_destroy__ = _IMP_npctransport.delete__GenericAttributeSingletonScoreForPoreRadus
3873 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
3874 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
3875 r"""Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
3877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3879 def __init__(self, mean, k):
3880 r"""__init__(PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
3881 _IMP_npctransport.PoreRadiusSingletonScore_swiginit(self, _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k))
3884 r"""set_k(PoreRadiusSingletonScore self, double k)"""
3885 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
3886 __swig_destroy__ = _IMP_npctransport.delete_PoreRadiusSingletonScore
3889 r"""__str__(PoreRadiusSingletonScore self) -> std::string"""
3890 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
3893 r"""__repr__(PoreRadiusSingletonScore self) -> std::string"""
3894 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
3898 return _object_cast_to_PoreRadiusSingletonScore(o)
3902 _IMP_npctransport.PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
3904 r"""Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
3906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3908 def __init__(self, bottom, top, k):
3909 r"""__init__(ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
3910 _IMP_npctransport.ExcludeZRangeSingletonScore_swiginit(self, _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k))
3912 def get_bottom_z(self):
3913 r"""get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
3914 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
3916 def get_top_z(self):
3917 r"""get_top_z(ExcludeZRangeSingletonScore self) -> double"""
3918 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
3921 r"""get_k(ExcludeZRangeSingletonScore self) -> double"""
3922 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
3924 def do_get_inputs(self, m, pis):
3925 r"""do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3926 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
3928 def get_version_info(self):
3929 r"""get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
3930 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
3931 __swig_destroy__ = _IMP_npctransport.delete_ExcludeZRangeSingletonScore
3934 r"""__str__(ExcludeZRangeSingletonScore self) -> std::string"""
3935 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
3938 r"""__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
3939 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
3943 return _object_cast_to_ExcludeZRangeSingletonScore(o)
3947 _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
3949 r"""Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
3951 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3953 def __init__(self, *args):
3954 r"""__init__(ZBiasSingletonScore self, double k, double max_r=HALF_SQRT_MAX_DOUBLE) -> ZBiasSingletonScore"""
3955 _IMP_npctransport.ZBiasSingletonScore_swiginit(self, _IMP_npctransport.new_ZBiasSingletonScore(*args))
3958 r"""get_k(ZBiasSingletonScore self) -> double"""
3959 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
3962 r"""set_k(ZBiasSingletonScore self, double k)"""
3963 return _IMP_npctransport.ZBiasSingletonScore_set_k(self, k)
3965 def do_get_inputs(self, m, pis):
3966 r"""do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3967 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
3969 def get_version_info(self):
3970 r"""get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
3971 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
3972 __swig_destroy__ = _IMP_npctransport.delete_ZBiasSingletonScore
3975 r"""__str__(ZBiasSingletonScore self) -> std::string"""
3976 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
3979 r"""__repr__(ZBiasSingletonScore self) -> std::string"""
3980 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
3984 return _object_cast_to_ZBiasSingletonScore(o)
3988 _IMP_npctransport.ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
3990 r"""Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
3992 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3994 def __init__(self, p, statistics_manager=None, periodicity=1):
3995 r"""__init__(BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState"""
3996 _IMP_npctransport.BodyStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity))
3998 def get_correlation_time(self):
3999 r"""get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4000 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4003 r"""get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4004 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4006 def update_particle_type_zr_distribution_map(self):
4007 r"""update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4008 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4010 def do_update(self, call_num):
4011 r"""do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4012 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4014 def get_version_info(self):
4015 r"""get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4016 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4017 __swig_destroy__ = _IMP_npctransport.delete_BodyStatisticsOptimizerState
4020 r"""__str__(BodyStatisticsOptimizerState self) -> std::string"""
4021 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4024 r"""__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4025 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4029 return _object_cast_to_BodyStatisticsOptimizerState(o)
4033 _IMP_npctransport.BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4035 r"""Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4037 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4039 def __init__(self, p, bottom_z, top_z, statistics_manager=0, owner=0):
4040 r"""__init__(ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=0, WeakPointer< IMP::atom::Simulator > owner=0) -> ParticleTransportStatisticsOptimizerState"""
4041 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner))
4043 def set_owner(self, owner):
4044 r"""set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4045 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4047 def get_owner(self):
4048 r"""get_owner(ParticleTransportStatisticsOptimizerState self) -> Simulator"""
4049 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4051 def get_n_transports_up(self):
4052 r"""get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4053 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4055 def get_n_transports_down(self):
4056 r"""get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4057 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4059 def get_total_n_transports(self):
4060 r"""get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4061 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4063 def get_transport_time_points_in_ns(self):
4064 r"""get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4065 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4067 def do_update(self, call_num):
4068 r"""do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4069 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4071 def get_version_info(self):
4072 r"""get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4073 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4074 __swig_destroy__ = _IMP_npctransport.delete_ParticleTransportStatisticsOptimizerState
4077 r"""__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4078 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4081 r"""__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4082 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4086 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4090 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4092 r"""Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4094 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4096 def __init__(self, ps, periodicity=1):
4097 r"""__init__(ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState"""
4098 _IMP_npctransport.ChainStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity))
4100 def get_correlation_time(self):
4101 r"""get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4102 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4104 def get_local_diffusion_coefficients(self):
4105 r"""get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4106 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4109 r"""get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4110 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4112 def get_mean_radius_of_gyration(self):
4113 r"""get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4114 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4116 def get_mean_square_radius_of_gyration(self):
4117 r"""get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4118 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4120 def get_mean_end_to_end_distance(self):
4121 r"""get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4122 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4124 def get_mean_square_end_to_end_distance(self):
4125 r"""get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4126 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4128 def get_mean_bond_distance(self):
4129 r"""get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4130 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4132 def get_mean_square_bond_distance(self):
4133 r"""get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4134 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4136 def do_update(self, call_num):
4137 r"""do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4138 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4140 def get_version_info(self):
4141 r"""get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4142 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4143 __swig_destroy__ = _IMP_npctransport.delete_ChainStatisticsOptimizerState
4146 r"""__str__(ChainStatisticsOptimizerState self) -> std::string"""
4147 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4150 r"""__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4151 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4155 return _object_cast_to_ChainStatisticsOptimizerState(o)
4159 _IMP_npctransport.ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4161 r"""Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4163 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4165 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4166 r"""__init__(BipartitePairsStatisticsOptimizerState self, Statistics statistics_manager, IMP::npctransport::InteractionType interaction_type, IMP::ParticlesTemp const & particlesI, IMP::ParticlesTemp const & particlesII, double contact_range=1.0, double slack=1.0) -> BipartitePairsStatisticsOptimizerState"""
4167 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack))
4169 def get_interaction_type(self):
4170 r"""get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4171 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4173 def get_average_number_of_contacts(self):
4174 r"""get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4175 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4177 def get_average_off_per_contact_per_ns(self):
4178 r"""get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4179 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4181 def get_average_off_per_bound_I_per_ns(self):
4182 r"""get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4183 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4185 def get_average_off_per_bound_II_per_ns(self):
4186 r"""get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4187 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4189 def get_average_on_per_missing_contact_per_ns(self):
4190 r"""get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4191 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4193 def get_average_on_per_unbound_I_per_ns(self):
4194 r"""get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4195 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4197 def get_average_on_per_unbound_II_per_ns(self):
4198 r"""get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4199 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4201 def get_average_fraction_bound_particles_I(self):
4202 r"""get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4203 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4205 def get_average_fraction_bound_particles_II(self):
4206 r"""get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4207 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4209 def get_average_fraction_bound_particle_sites_I(self):
4210 r"""get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4211 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4213 def get_average_fraction_bound_particle_sites_II(self):
4214 r"""get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4215 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4217 def get_average_fraction_nonspecific_interactions_I(self):
4218 r"""get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4219 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4221 def get_average_fraction_nonspecific_interactions_II(self):
4222 r"""get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4223 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4225 def get_number_of_particles_1(self):
4226 r"""get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4227 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4229 def get_number_of_particles_2(self):
4230 r"""get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4231 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4233 def get_misc_stats_period_ns(self):
4234 r"""get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4235 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4237 def get_off_stats_period_ns(self):
4238 r"""get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4239 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4241 def get_off_I_stats_period_ns(self):
4242 r"""get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4243 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4245 def get_off_II_stats_period_ns(self):
4246 r"""get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4247 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4249 def get_on_stats_period_ns(self):
4250 r"""get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4251 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4253 def get_on_I_stats_period_ns(self):
4254 r"""get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4255 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4257 def get_on_II_stats_period_ns(self):
4258 r"""get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4259 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4261 def get_version_info(self):
4262 r"""get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4263 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4264 __swig_destroy__ = _IMP_npctransport.delete_BipartitePairsStatisticsOptimizerState
4267 r"""__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4268 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4271 r"""__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4272 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4276 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4280 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4282 def get_close_pairs_range(*args):
4284 get_close_pairs_range(double max_range, double max_range_factor) -> double
4285 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4287 return _IMP_npctransport.get_close_pairs_range(*args)
4291 get_time_step(double max_d_factor, double max_k, double min_radius, double min_range, double max_trans_relative_to_radius=0.1, double time_step_factor=1.0) -> double
4292 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4294 return _IMP_npctransport.get_time_step(*args)
4297 r"""get_frames_from_ns(double ns, double time_step) -> int"""
4298 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4301 r"""get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4302 return _IMP_npctransport.get_number_of_frames(config, time_step)
4305 r"""get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4306 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4309 r"""get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int"""
4310 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4313 r"""get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int"""
4314 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4317 r"""initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints=IMP::RestraintsTemp(), bool debug=False, double short_init_factor=1.0, bool is_disable_randomize=False, bool are_fgs_pre_initialized=False)"""
4318 return _IMP_npctransport.initialize_positions(*args)
4321 r"""get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4322 return _IMP_npctransport.get_optimizable_particles(particles)
4325 r"""get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4326 return _IMP_npctransport.get_non_optimizable_particles(particles)
4329 r"""get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4330 return _IMP_npctransport.get_particle_indexes(particles)
4333 r"""get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4334 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4337 r"""get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4338 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4340 def get_spheres_centers(spheres):
4341 r"""get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4342 return _IMP_npctransport.get_spheres_centers(spheres)
4345 r"""copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4346 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4349 r"""copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4350 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4353 r"""copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4354 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4355 class Avro2PBReader(object):
4356 r"""Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4360 def __init__(self, *args):
4362 __init__(Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4363 __init__(Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4365 _IMP_npctransport.Avro2PBReader_swiginit(self, _IMP_npctransport.new_Avro2PBReader(*args))
4366 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4368 def read_next(self):
4369 r"""read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4370 return _IMP_npctransport.Avro2PBReader_read_next(self)
4372 def get_is_valid(self):
4373 r"""get_is_valid(Avro2PBReader self) -> bool"""
4374 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4376 def get_cur_file_name(self):
4377 r"""get_cur_file_name(Avro2PBReader self) -> std::string"""
4378 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4380 def show(self, *args):
4381 r"""show(Avro2PBReader self, _ostream out=std::cout)"""
4382 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4385 r"""__str__(Avro2PBReader self) -> std::string"""
4386 return _IMP_npctransport.Avro2PBReader___str__(self)
4389 r"""__repr__(Avro2PBReader self) -> std::string"""
4390 return _IMP_npctransport.Avro2PBReader___repr__(self)
4393 _IMP_npctransport.Avro2PBReader_swigregister(Avro2PBReader)
4396 r"""startup(int argc) -> SimulationData"""
4397 return _IMP_npctransport.startup(argc)
4400 r"""remove_Nup42(SimulationData sd)"""
4401 return _IMP_npctransport.remove_Nup42(sd)
4404 r"""inflate_floater(SimulationData sd, std::string const floater_name, float const new_radius)"""
4405 return _IMP_npctransport.inflate_floater(sd, floater_name, new_radius)
4408 r"""reset_box_size(SimulationData sd, double box_size)"""
4409 return _IMP_npctransport.reset_box_size(sd, box_size)
4412 r"""do_main_loop(SimulationData sd, IMP::RestraintsTemp const & init_restraints)"""
4413 return _IMP_npctransport.do_main_loop(sd, init_restraints)
4416 from .npctransport_pb2
import *
4417 import google.protobuf
4419 print(
"no protobuf support in python")
4420 from ._configuration
import *
4426 r"""get_module_version() -> std::string const"""
4427 return _IMP_npctransport.get_module_version()
4430 r"""get_example_path(std::string fname) -> std::string"""
4431 return _IMP_npctransport.get_example_path(fname)
4434 r"""get_data_path(std::string fname) -> std::string"""
4435 return _IMP_npctransport.get_data_path(fname)
4437 from .
import _version_check
def get_example_path
Return the full path to one of this module's example files.
Abstract class for scoring object(s) of type ParticleIndexPair.
CheckLevel get_check_level()
Get the current audit mode.
FGChain * create_fg_chain(IMP::npctransport::SimulationData *sd, atom::Hierarchy parent, const ::npctransport_proto::Assignment_FGAssignment &fg_data, display::Color c)
void remove_Nup42(SimulationData *sd)
remove nup42 and its anchors (also from obstacles)
def get_module_version
Return the version of this module, as a string.
void add_hierarchy_with_sites(RMF::FileHandle fh, atom::Hierarchy hs)
Various classes to hold sets of particles.
int assign_ranges(std::string input_config_fname, std::string output_assignment_fname, unsigned int work_unit, bool show_steps, boost::uint64_t random_seed)
The base class for geometry.
int get_output_statistics_interval_in_frames(const ::npctransport_proto::Assignment &assign, double time_step, double default_value_ns=1.0)
IMP::ParticleIndexPair make_unordered_particle_index_pair(IMP::ParticleIndex pi0, IMP::ParticleIndex pi1)
IMP::npctransport::SimulationData * startup(int argc, char *argv[])
A base class for geometry from a set of particles.
double get_time_step(double max_d_factor, double max_k, double min_radius, double min_range, double max_trans_relative_to_radius=0.1, double time_step_factor=1.0)
Make CGAL functionality available to IMP.
void copy_FGs_coordinates(SimulationData const *src_sd, SimulationData *trg_sd)
copy coordinates of src_sd to trg_sd for FG repeats only
void do_main_loop(SimulationData *sd, const RestraintsTemp &init_restraints)
int get_statistics_interval_in_frames(const ::npctransport_proto::Assignment &assign, double time_step, double default_value_ns=0.1)
void get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)
void copy_hierarchy_reference_frame_recursive(Particle *src_p, Particle *trg_p)
Simple Brownian dynamics simulator.
Composable functors to implement scores via compile-time composition.
def get_data_path
Return the full path to one of this module's data files.
Code to compute statistical measures.
void link_hierarchies_with_sites(RMF::FileConstHandle fh, const atom::Hierarchies &hs)
ParticlesTemp get_non_optimizable_particles(ParticlesTemp const &particles)
void copy_particle_reference_frame_if_applicable(Particle *src_p, Particle *trg_p)
Common base class for heavy weight IMP objects.
ParticleIndexes get_particle_indexes(ParticlesTemp const &particles)
int get_number_of_frames(const ::npctransport_proto::Assignment &config, double time_step)
Abstract class for scoring object(s) of type ParticleIndex.
int get_frames_from_ns(double ns, double time_step)
Basic utilities for handling cryo-electron microscopy 3D density maps.
void inflate_floater(SimulationData *sd, const std::string floater_name, const float new_radius)
inflate floater of specified type to new_radius
void initialize_positions(SimulationData *sd, const RestraintsTemp &extra_restraints=RestraintsTemp(), bool debug=false, double short_init_factor=1.0, bool is_disable_randomize=false, bool are_fgs_pre_initialized=false)
Interface to specialized Particle types (e.g. atoms)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
ParticlesTemp get_optimizable_particles(ParticlesTemp const &particles)
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...
int get_dump_interval_in_frames(const ::npctransport_proto::Assignment &config, double time_step)
atom::Hierarchies create_hierarchies_with_sites(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
void add_hierarchies_with_sites(RMF::FileHandle fh, const atom::Hierarchies &hs)
InteractionType make_unordered_interaction_type(IMP::core::ParticleType t0, IMP::core::ParticleType t1)
void reset_box_size(SimulationData *sd, double box_size)
change box size sd to specified box size and update output file
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
FGChain * get_fg_chain(atom::Hierarchy root)
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for developing and analyzing benchmarks of IMP code.
InteractionType make_ordered_interaction_type(IMP::core::ParticleType t0, IMP::core::ParticleType t1)
convenience method for creating and interaction type in swig
Support for the RMF file format for storing hierarchical molecular data and markup.
Support for small angle X-ray scattering (SAXS) data.
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Display an IMP::core::XYZR particle as a ball.
void add_test_sites(RMF::FileHandle fh, core::ParticleType t, double display_radius, algebra::Vector3Ds sites)
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...
algebra::Sphere3Ds get_spheres_from_vectors(V3iter first, V3iter last, double radius)
convert vectors to spheres of passed radius