14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_EXAMPLE_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_EXAMPLE_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_example.delete_IMP_EXAMPLE_SwigPyIterator
77 r"""value(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
78 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_value(self)
81 r"""incr(IMP_EXAMPLE_SwigPyIterator self, size_t n=1) -> IMP_EXAMPLE_SwigPyIterator"""
82 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_EXAMPLE_SwigPyIterator self, size_t n=1) -> IMP_EXAMPLE_SwigPyIterator"""
86 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
94 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_EXAMPLE_SwigPyIterator self) -> IMP_EXAMPLE_SwigPyIterator"""
98 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_copy(self)
101 r"""next(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
102 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_next(self)
105 r"""__next__(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
106 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___next__(self)
109 r"""previous(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
110 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
114 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
118 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
122 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
126 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
130 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
134 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator
139 __sub__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___sub__(self, *args)
146 _IMP_example.IMP_EXAMPLE_SwigPyIterator_swigregister(IMP_EXAMPLE_SwigPyIterator)
153 IMP_DEBUG = _IMP_example.IMP_DEBUG
155 IMP_RELEASE = _IMP_example.IMP_RELEASE
157 IMP_SILENT = _IMP_example.IMP_SILENT
159 IMP_PROGRESS = _IMP_example.IMP_PROGRESS
161 IMP_TERSE = _IMP_example.IMP_TERSE
163 IMP_VERBOSE = _IMP_example.IMP_VERBOSE
165 IMP_MEMORY = _IMP_example.IMP_MEMORY
167 IMP_NONE = _IMP_example.IMP_NONE
169 IMP_USAGE = _IMP_example.IMP_USAGE
171 IMP_INTERNAL = _IMP_example.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_example.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_example.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_example.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_example.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_example.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_example.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_example.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_example.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_example.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_example.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_example.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_example.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_example._ostream_write(self, osa_buf)
238 _IMP_example._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_example.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_example.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_example.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_example.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_example.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_example.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_example.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_example.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_example.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_example.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_example.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_example.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_example.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_example.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_example.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_example.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_example.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_example.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_example.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_example.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_example.IMP_STATISTICS_HAS_IMP_CGAL
304 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
306 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
308 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_example.IMP_STATISTICS_HAS_BOOST_RANDOM
310 IMP_STATISTICS_HAS_CGAL = _IMP_example.IMP_STATISTICS_HAS_CGAL
312 IMP_STATISTICS_HAS_NUMPY = _IMP_example.IMP_STATISTICS_HAS_NUMPY
314 IMPSTATISTICS_SHOW_WARNINGS = _IMP_example.IMPSTATISTICS_SHOW_WARNINGS
317 IMP_CORE_HAS_IMP_CGAL = _IMP_example.IMP_CORE_HAS_IMP_CGAL
319 IMP_CORE_HAS_IMP_KERNEL = _IMP_example.IMP_CORE_HAS_IMP_KERNEL
321 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CORE_HAS_BOOST_FILESYSTEM
323 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
325 IMP_CORE_HAS_BOOST_RANDOM = _IMP_example.IMP_CORE_HAS_BOOST_RANDOM
327 IMP_CORE_HAS_CGAL = _IMP_example.IMP_CORE_HAS_CGAL
329 IMP_CORE_HAS_HDF5 = _IMP_example.IMP_CORE_HAS_HDF5
331 IMP_CORE_HAS_NUMPY = _IMP_example.IMP_CORE_HAS_NUMPY
333 IMPCORE_SHOW_WARNINGS = _IMP_example.IMPCORE_SHOW_WARNINGS
336 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_example.IMP_CONTAINER_HAS_IMP_ALGEBRA
338 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_example.IMP_CONTAINER_HAS_IMP_CGAL
340 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_example.IMP_CONTAINER_HAS_IMP_DISPLAY
342 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_example.IMP_CONTAINER_HAS_IMP_KERNEL
344 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
346 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
348 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
350 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_example.IMP_CONTAINER_HAS_BOOST_RANDOM
352 IMP_CONTAINER_HAS_CGAL = _IMP_example.IMP_CONTAINER_HAS_CGAL
354 IMP_CONTAINER_HAS_HDF5 = _IMP_example.IMP_CONTAINER_HAS_HDF5
356 IMP_CONTAINER_HAS_NUMPY = _IMP_example.IMP_CONTAINER_HAS_NUMPY
358 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_example.IMP_CONTAINER_HAS_PYTHON_IHM
360 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_example.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
362 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_example.IMP_CONTAINER_HAS_ROBIN_MAP
364 IMPCONTAINER_SHOW_WARNINGS = _IMP_example.IMPCONTAINER_SHOW_WARNINGS
367 IMP_ATOM_HAS_IMP_CGAL = _IMP_example.IMP_ATOM_HAS_IMP_CGAL
369 IMP_ATOM_HAS_IMP_KERNEL = _IMP_example.IMP_ATOM_HAS_IMP_KERNEL
371 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
373 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
375 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_example.IMP_ATOM_HAS_BOOST_RANDOM
377 IMP_ATOM_HAS_BOOST_REGEX = _IMP_example.IMP_ATOM_HAS_BOOST_REGEX
379 IMP_ATOM_HAS_CGAL = _IMP_example.IMP_ATOM_HAS_CGAL
381 IMP_ATOM_HAS_HDF5 = _IMP_example.IMP_ATOM_HAS_HDF5
383 IMP_ATOM_HAS_NUMPY = _IMP_example.IMP_ATOM_HAS_NUMPY
385 IMP_ATOM_HAS_PYTHON_IHM = _IMP_example.IMP_ATOM_HAS_PYTHON_IHM
387 IMPATOM_SHOW_WARNINGS = _IMP_example.IMPATOM_SHOW_WARNINGS
389 IMP_ATOM_TYPE_INDEX = _IMP_example.IMP_ATOM_TYPE_INDEX
391 IMP_RESIDUE_TYPE_INDEX = _IMP_example.IMP_RESIDUE_TYPE_INDEX
393 IMP_HIERARCHY_TYPE_INDEX = _IMP_example.IMP_HIERARCHY_TYPE_INDEX
395 IMP_CHAIN_TYPE_INDEX = _IMP_example.IMP_CHAIN_TYPE_INDEX
398 IMP_EM_HAS_IMP_CGAL = _IMP_example.IMP_EM_HAS_IMP_CGAL
400 IMP_EM_HAS_IMP_CONTAINER = _IMP_example.IMP_EM_HAS_IMP_CONTAINER
402 IMP_EM_HAS_IMP_DISPLAY = _IMP_example.IMP_EM_HAS_IMP_DISPLAY
404 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_EM_HAS_IMP_SCORE_FUNCTOR
406 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_EM_HAS_BOOST_FILESYSTEM
408 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
410 IMP_EM_HAS_BOOST_RANDOM = _IMP_example.IMP_EM_HAS_BOOST_RANDOM
412 IMP_EM_HAS_BOOST_REGEX = _IMP_example.IMP_EM_HAS_BOOST_REGEX
414 IMP_EM_HAS_CGAL = _IMP_example.IMP_EM_HAS_CGAL
416 IMP_EM_HAS_HDF5 = _IMP_example.IMP_EM_HAS_HDF5
418 IMP_EM_HAS_NUMPY = _IMP_example.IMP_EM_HAS_NUMPY
420 IMP_EM_HAS_PYTHON_IHM = _IMP_example.IMP_EM_HAS_PYTHON_IHM
422 IMPEM_SHOW_WARNINGS = _IMP_example.IMPEM_SHOW_WARNINGS
425 IMP_SAXS_HAS_IMP_CGAL = _IMP_example.IMP_SAXS_HAS_IMP_CGAL
427 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_example.IMP_SAXS_HAS_IMP_CONTAINER
429 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_example.IMP_SAXS_HAS_IMP_DISPLAY
431 IMP_SAXS_HAS_IMP_KERNEL = _IMP_example.IMP_SAXS_HAS_IMP_KERNEL
433 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
435 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_SAXS_HAS_BOOST_FILESYSTEM
437 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
439 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_example.IMP_SAXS_HAS_BOOST_RANDOM
441 IMP_SAXS_HAS_BOOST_REGEX = _IMP_example.IMP_SAXS_HAS_BOOST_REGEX
443 IMP_SAXS_HAS_CGAL = _IMP_example.IMP_SAXS_HAS_CGAL
445 IMP_SAXS_HAS_HDF5 = _IMP_example.IMP_SAXS_HAS_HDF5
447 IMP_SAXS_HAS_NUMPY = _IMP_example.IMP_SAXS_HAS_NUMPY
449 IMP_SAXS_HAS_PYTHON_IHM = _IMP_example.IMP_SAXS_HAS_PYTHON_IHM
451 IMPSAXS_SHOW_WARNINGS = _IMP_example.IMPSAXS_SHOW_WARNINGS
454 IMP_ISD_HAS_IMP_CGAL = _IMP_example.IMP_ISD_HAS_IMP_CGAL
456 IMP_ISD_HAS_IMP_DISPLAY = _IMP_example.IMP_ISD_HAS_IMP_DISPLAY
458 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
460 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_ISD_HAS_BOOST_FILESYSTEM
462 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
464 IMP_ISD_HAS_BOOST_RANDOM = _IMP_example.IMP_ISD_HAS_BOOST_RANDOM
466 IMP_ISD_HAS_BOOST_REGEX = _IMP_example.IMP_ISD_HAS_BOOST_REGEX
468 IMP_ISD_HAS_CGAL = _IMP_example.IMP_ISD_HAS_CGAL
470 IMP_ISD_HAS_HDF5 = _IMP_example.IMP_ISD_HAS_HDF5
472 IMP_ISD_HAS_NUMPY = _IMP_example.IMP_ISD_HAS_NUMPY
474 IMP_ISD_HAS_PYTHON_IHM = _IMP_example.IMP_ISD_HAS_PYTHON_IHM
476 IMPISD_SHOW_WARNINGS = _IMP_example.IMPISD_SHOW_WARNINGS
479 IMP_RMF_HAS_IMP_CGAL = _IMP_example.IMP_RMF_HAS_IMP_CGAL
481 IMP_RMF_HAS_IMP_EM = _IMP_example.IMP_RMF_HAS_IMP_EM
483 IMP_RMF_HAS_IMP_SAXS = _IMP_example.IMP_RMF_HAS_IMP_SAXS
485 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
487 IMP_RMF_HAS_IMP_STATISTICS = _IMP_example.IMP_RMF_HAS_IMP_STATISTICS
489 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_RMF_HAS_BOOST_FILESYSTEM
491 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
493 IMP_RMF_HAS_BOOST_RANDOM = _IMP_example.IMP_RMF_HAS_BOOST_RANDOM
495 IMP_RMF_HAS_BOOST_REGEX = _IMP_example.IMP_RMF_HAS_BOOST_REGEX
497 IMP_RMF_HAS_CGAL = _IMP_example.IMP_RMF_HAS_CGAL
499 IMP_RMF_HAS_HDF5 = _IMP_example.IMP_RMF_HAS_HDF5
501 IMP_RMF_HAS_NUMPY = _IMP_example.IMP_RMF_HAS_NUMPY
503 IMP_RMF_HAS_PYTHON_IHM = _IMP_example.IMP_RMF_HAS_PYTHON_IHM
505 IMPRMF_SHOW_WARNINGS = _IMP_example.IMPRMF_SHOW_WARNINGS
509 IMP_DOMINO_HAS_IMP_ATOM = _IMP_example.IMP_DOMINO_HAS_IMP_ATOM
511 IMP_DOMINO_HAS_IMP_CGAL = _IMP_example.IMP_DOMINO_HAS_IMP_CGAL
513 IMP_DOMINO_HAS_IMP_EM = _IMP_example.IMP_DOMINO_HAS_IMP_EM
515 IMP_DOMINO_HAS_IMP_ISD = _IMP_example.IMP_DOMINO_HAS_IMP_ISD
517 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_example.IMP_DOMINO_HAS_IMP_KERNEL
519 IMP_DOMINO_HAS_IMP_RMF = _IMP_example.IMP_DOMINO_HAS_IMP_RMF
521 IMP_DOMINO_HAS_IMP_SAXS = _IMP_example.IMP_DOMINO_HAS_IMP_SAXS
523 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
525 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_DOMINO_HAS_BOOST_FILESYSTEM
527 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
529 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_example.IMP_DOMINO_HAS_BOOST_RANDOM
531 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_example.IMP_DOMINO_HAS_BOOST_REGEX
533 IMP_DOMINO_HAS_CGAL = _IMP_example.IMP_DOMINO_HAS_CGAL
535 IMP_DOMINO_HAS_HDF5 = _IMP_example.IMP_DOMINO_HAS_HDF5
537 IMP_DOMINO_HAS_NUMPY = _IMP_example.IMP_DOMINO_HAS_NUMPY
539 IMP_DOMINO_HAS_RMF = _IMP_example.IMP_DOMINO_HAS_RMF
541 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_example.IMP_DOMINO_HAS_PYTHON_IHM
543 IMPDOMINO_SHOW_WARNINGS = _IMP_example.IMPDOMINO_SHOW_WARNINGS
547 IMP_EXAMPLE_HAS_IMP_ALGEBRA = _IMP_example.IMP_EXAMPLE_HAS_IMP_ALGEBRA
549 IMP_EXAMPLE_HAS_IMP_CGAL = _IMP_example.IMP_EXAMPLE_HAS_IMP_CGAL
551 IMP_EXAMPLE_HAS_IMP_DISPLAY = _IMP_example.IMP_EXAMPLE_HAS_IMP_DISPLAY
553 IMP_EXAMPLE_HAS_IMP_EM = _IMP_example.IMP_EXAMPLE_HAS_IMP_EM
555 IMP_EXAMPLE_HAS_IMP_ISD = _IMP_example.IMP_EXAMPLE_HAS_IMP_ISD
557 IMP_EXAMPLE_HAS_IMP_KERNEL = _IMP_example.IMP_EXAMPLE_HAS_IMP_KERNEL
559 IMP_EXAMPLE_HAS_IMP_RMF = _IMP_example.IMP_EXAMPLE_HAS_IMP_RMF
561 IMP_EXAMPLE_HAS_IMP_SAXS = _IMP_example.IMP_EXAMPLE_HAS_IMP_SAXS
563 IMP_EXAMPLE_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_EXAMPLE_HAS_IMP_SCORE_FUNCTOR
565 IMP_EXAMPLE_HAS_IMP_STATISTICS = _IMP_example.IMP_EXAMPLE_HAS_IMP_STATISTICS
567 IMP_EXAMPLE_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_EXAMPLE_HAS_BOOST_FILESYSTEM
569 IMP_EXAMPLE_HAS_BOOST_GRAPH = _IMP_example.IMP_EXAMPLE_HAS_BOOST_GRAPH
571 IMP_EXAMPLE_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_EXAMPLE_HAS_BOOST_PROGRAMOPTIONS
573 IMP_EXAMPLE_HAS_BOOST_RANDOM = _IMP_example.IMP_EXAMPLE_HAS_BOOST_RANDOM
575 IMP_EXAMPLE_HAS_BOOST_REGEX = _IMP_example.IMP_EXAMPLE_HAS_BOOST_REGEX
577 IMP_EXAMPLE_HAS_CGAL = _IMP_example.IMP_EXAMPLE_HAS_CGAL
579 IMP_EXAMPLE_HAS_HDF5 = _IMP_example.IMP_EXAMPLE_HAS_HDF5
581 IMP_EXAMPLE_HAS_NUMPY = _IMP_example.IMP_EXAMPLE_HAS_NUMPY
583 IMP_EXAMPLE_HAS_RMF = _IMP_example.IMP_EXAMPLE_HAS_RMF
585 IMP_EXAMPLE_HAS_PYTHON_IHM = _IMP_example.IMP_EXAMPLE_HAS_PYTHON_IHM
587 IMP_EXAMPLE_HAS_EXAMPLEDEPENDENCY = _IMP_example.IMP_EXAMPLE_HAS_EXAMPLEDEPENDENCY
589 IMPEXAMPLE_SHOW_WARNINGS = _IMP_example.IMPEXAMPLE_SHOW_WARNINGS
592 _object_types.append(
"ExampleRestraint")
595 def _object_cast_to_ExampleRestraint(o):
596 r"""_object_cast_to_ExampleRestraint(Object o) -> ExampleRestraint"""
597 return _IMP_example._object_cast_to_ExampleRestraint(o)
599 def ExampleDecorators(l=[]):
600 return [ExampleDecorator(x)
for x
in l]
601 _plural_types.append(
"ExampleDecorators")
604 _value_types.append(
"ExampleDecorator")
607 _object_types.append(
"ExampleUnaryFunction")
610 def _object_cast_to_ExampleUnaryFunction(o):
611 r"""_object_cast_to_ExampleUnaryFunction(Object o) -> ExampleUnaryFunction"""
612 return _IMP_example._object_cast_to_ExampleUnaryFunction(o)
614 _object_types.append(
"ExampleSingletonModifier")
617 def _object_cast_to_ExampleSingletonModifier(o):
618 r"""_object_cast_to_ExampleSingletonModifier(Object o) -> ExampleSingletonModifier"""
619 return _IMP_example._object_cast_to_ExampleSingletonModifier(o)
621 _object_types.append(
"ExamplePairScore")
624 def _object_cast_to_ExamplePairScore(o):
625 r"""_object_cast_to_ExamplePairScore(Object o) -> ExamplePairScore"""
626 return _IMP_example._object_cast_to_ExamplePairScore(o)
628 _object_types.append(
"ExampleSubsetFilterTable")
631 def _object_cast_to_ExampleSubsetFilterTable(o):
632 r"""_object_cast_to_ExampleSubsetFilterTable(Object o) -> ExampleSubsetFilterTable"""
633 return _IMP_example._object_cast_to_ExampleSubsetFilterTable(o)
635 _object_types.append(
"ExampleConstraint")
638 def _object_cast_to_ExampleConstraint(o):
639 r"""_object_cast_to_ExampleConstraint(Object o) -> ExampleConstraint"""
640 return _IMP_example._object_cast_to_ExampleConstraint(o)
642 _object_types.append(
"ExampleObject")
645 def _object_cast_to_ExampleObject(o):
646 r"""_object_cast_to_ExampleObject(Object o) -> ExampleObject"""
647 return _IMP_example._object_cast_to_ExampleObject(o)
649 ExampleTemplateClass3Ds=list
650 _plural_types.append(
"ExampleTemplateClass3Ds")
651 _value_types.append(
"ExampleTemplateClass3D")
654 def create_model_and_particles():
659 for i
in range(0,100):
660 p = m.add_particle(
"p")
664 d.set_coordinates_are_optimized(
True)
670 """An example restraint written in Python.
671 This should be functionally equivalent to the C++ ExampleRestraint.
673 def __init__(self, m, p, k):
674 super().__init__(m,
"PythonExampleRestraint%1%")
675 self.p, self.k = p, k
678 """Pure Python implementation of the restraint"""
680 score = .5 * self.k * d.get_z() * d.get_z()
681 if sa.get_derivative_accumulator():
682 deriv = self.k * d.get_z()
683 d.add_to_derivative(2, deriv, sa.get_derivative_accumulator())
687 """Implementation of the restraint using JAX"""
689 def jax_restraint(X, k, pi):
691 return 0.5 * k * xyz[2] * xyz[2]
692 f = functools.partial(jax_restraint, k=self.k, pi=self.p)
693 return self._wrap_jax(f)
696 return [self.
get_model().get_particle(self.p)]
702 """An example PairScore written in Python.
703 This should be functionally equivalent to the C++ ExamplePairScore.
705 def __init__(self, x0, k):
707 self.x0, self.k = x0, k
710 """Pure Python implementation of the score"""
713 diff = (d0.get_coordinates()
714 - d1.get_coordinates()).get_magnitude() - self.x0
715 score = .5 * self.k * diff * diff
718 delta = d0.get_coordinates() - d1.get_coordinates()
719 udelta = delta.get_unit_vector()
721 d0.add_to_derivatives(udelta * dv, da)
722 d1.add_to_derivatives(-udelta * dv, da)
732 """An example UnaryFunction written in Python.
733 This should be functionally equivalent to the C++ ExampleUnaryFunction.
735 def __init__(self, center, k):
737 self.center, self.k = center, k
740 return (self.
evaluate(feature), self.k * (feature - self.center))
743 return .5 * self.k * (feature - self.center) * (feature - self.center)
749 """An example Constraint written in Python.
750 This should be functionally equivalent to the C++ ExampleConstraint.
755 def __init__(self, p):
756 super().__init__(p.get_model(),
"ExampleConstraint%1%")
759 PythonExampleConstraint.k =
IMP.IntKey(
"Constraint key")
760 if not p.has_attribute(self.k):
761 p.add_attribute(self.k, 0)
763 def do_update_attributes(self):
764 self.p.set_value(self.k, self.p.get_value(self.k) + 1)
766 def do_update_derivatives(self, da):
779 """An example SingletonModifier written in Python.
780 This should be functionally equivalent to the C++
781 ExampleSingletonModifier.
784 def __init__(self, bb):
785 super().__init__(
"ExampleSingletonModifier%1%")
792 while d.get_coordinate(i) < self.bb.get_corner(0)[i]:
793 d.set_coordinate(i,d.get_coordinate(i) + \
794 (self.bb.get_corner(1)[i] - self.bb.get_corner(0)[i]))
795 while d.get_coordinate(i) > self.bb.get_corner(1)[i]:
796 d.set_coordinate(i,d.get_coordinate(i) - \
797 (self.bb.get_corner(1)[i] - self.bb.get_corner(0)[i]))
807 r"""Proxy of C++ IMP::example::ExampleRestraint class."""
809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
811 def __init__(self, *args):
813 __init__(ExampleRestraint self, Model m, ParticleIndex p, double k) -> ExampleRestraint
814 __init__(ExampleRestraint self) -> ExampleRestraint
816 _IMP_example.ExampleRestraint_swiginit(self, _IMP_example.new_ExampleRestraint(*args))
818 def get_force_constant(self):
819 r"""get_force_constant(ExampleRestraint self) -> double"""
820 return _IMP_example.ExampleRestraint_get_force_constant(self)
823 r"""get_index(ExampleRestraint self) -> ParticleIndex"""
824 return _IMP_example.ExampleRestraint_get_index(self)
826 def do_add_score_and_derivatives(self, sa):
827 r"""do_add_score_and_derivatives(ExampleRestraint self, ScoreAccumulator sa)"""
828 return _IMP_example.ExampleRestraint_do_add_score_and_derivatives(self, sa)
831 r"""do_get_inputs(ExampleRestraint self) -> IMP::ModelObjectsTemp"""
832 return _IMP_example.ExampleRestraint_do_get_inputs(self)
835 r"""get_version_info(ExampleRestraint self) -> VersionInfo"""
836 return _IMP_example.ExampleRestraint_get_version_info(self)
837 __swig_destroy__ = _IMP_example.delete_ExampleRestraint
840 r"""__str__(ExampleRestraint self) -> std::string"""
841 return _IMP_example.ExampleRestraint___str__(self)
844 r"""__repr__(ExampleRestraint self) -> std::string"""
845 return _IMP_example.ExampleRestraint___repr__(self)
849 return _object_cast_to_ExampleRestraint(o)
852 def _get_as_binary(self):
853 r"""_get_as_binary(ExampleRestraint self) -> PyObject *"""
854 return _IMP_example.ExampleRestraint__get_as_binary(self)
856 def _set_from_binary(self, p):
857 r"""_set_from_binary(ExampleRestraint self, PyObject * p)"""
858 return _IMP_example.ExampleRestraint__set_from_binary(self, p)
860 def __getstate__(self):
861 p = self._get_as_binary()
862 if len(self.__dict__) > 1:
863 d = self.__dict__.copy()
868 def __setstate__(self, p):
869 if not hasattr(self,
'this'):
871 if isinstance(p, tuple):
873 self.__dict__.update(d)
874 return self._set_from_binary(p)
878 """Implementation of the restraint using JAX.
879 For a Restraint, we must return a single JAX function which
880 takes a single argument, the JAX Model, and returns its score.
881 The JAX Model (here called `jm`) is a JAX object which contains
882 the same information as the IMP Model, as a simple Python dict.
883 For example, jm['xyz'] is an N x 3 array of XYZ coordinates."""
885 def jax_restraint(jm, k, pi):
890 return 0.5 * k * xyz[2] * xyz[2]
894 f = functools.partial(jax_restraint, k=self.get_force_constant(),
899 return self._wrap_jax(f)
903 _IMP_example.ExampleRestraint_swigregister(ExampleRestraint)
905 r"""Proxy of C++ IMP::example::ExampleDecorator class."""
907 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
909 def get_decorator_name(self):
910 r"""get_decorator_name(ExampleDecorator self) -> std::string"""
911 return _IMP_example.ExampleDecorator_get_decorator_name(self)
913 def set_decorator_name(self, nm):
914 r"""set_decorator_name(ExampleDecorator self, std::string nm)"""
915 return _IMP_example.ExampleDecorator_set_decorator_name(self, nm)
917 def __init__(self, *args):
919 __init__(ExampleDecorator self) -> ExampleDecorator
920 __init__(ExampleDecorator self, Model m, ParticleIndex id) -> ExampleDecorator
921 __init__(ExampleDecorator self, _ParticleAdaptor d) -> ExampleDecorator
923 _IMP_example.ExampleDecorator_swiginit(self, _IMP_example.new_ExampleDecorator(*args))
926 def get_is_setup(*args):
928 get_is_setup(Model m, ParticleIndex pi) -> bool
929 get_is_setup(_ParticleAdaptor p) -> bool
931 return _IMP_example.ExampleDecorator_get_is_setup(*args)
933 def show(self, *args):
934 r"""show(ExampleDecorator self, _ostream out=std::cout)"""
935 return _IMP_example.ExampleDecorator_show(self, *args)
938 def setup_particle(*args):
940 setup_particle(Model m, ParticleIndex pi, std::string name) -> ExampleDecorator
941 setup_particle(_ParticleAdaptor pa, std::string name) -> ExampleDecorator
943 return _IMP_example.ExampleDecorator_setup_particle(*args)
945 def add_attribute(self, *args):
947 add_attribute(ExampleDecorator self, FloatKey k, IMP::Float v, bool opt)
948 add_attribute(ExampleDecorator self, FloatKey a0, IMP::Float a1)
949 add_attribute(ExampleDecorator self, IntKey a0, IMP::Int a1)
950 add_attribute(ExampleDecorator self, FloatsKey a0, IMP::Floats a1)
951 add_attribute(ExampleDecorator self, IntsKey a0, IMP::Ints a1)
952 add_attribute(ExampleDecorator self, StringKey a0, IMP::String a1)
953 add_attribute(ExampleDecorator self, ParticleIndexKey a0, Particle a1)
954 add_attribute(ExampleDecorator self, ObjectKey a0, Object a1)
955 add_attribute(ExampleDecorator self, SparseFloatKey a0, IMP::Float a1)
956 add_attribute(ExampleDecorator self, SparseIntKey a0, IMP::Int a1)
957 add_attribute(ExampleDecorator self, SparseStringKey a0, IMP::String a1)
958 add_attribute(ExampleDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
960 return _IMP_example.ExampleDecorator_add_attribute(self, *args)
962 def get_value(self, *args):
964 get_value(ExampleDecorator self, FloatKey a0) -> IMP::Float
965 get_value(ExampleDecorator self, IntKey a0) -> IMP::Int
966 get_value(ExampleDecorator self, FloatsKey a0) -> IMP::Floats
967 get_value(ExampleDecorator self, IntsKey a0) -> IMP::Ints
968 get_value(ExampleDecorator self, StringKey a0) -> IMP::String
969 get_value(ExampleDecorator self, ParticleIndexKey a0) -> Particle
970 get_value(ExampleDecorator self, ObjectKey a0) -> Object
971 get_value(ExampleDecorator self, SparseFloatKey a0) -> IMP::Float
972 get_value(ExampleDecorator self, SparseIntKey a0) -> IMP::Int
973 get_value(ExampleDecorator self, SparseStringKey a0) -> IMP::String
974 get_value(ExampleDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
976 return _IMP_example.ExampleDecorator_get_value(self, *args)
978 def set_value(self, *args):
980 set_value(ExampleDecorator self, FloatKey a0, IMP::Float a1)
981 set_value(ExampleDecorator self, IntKey a0, IMP::Int a1)
982 set_value(ExampleDecorator self, FloatsKey a0, IMP::Floats a1)
983 set_value(ExampleDecorator self, IntsKey a0, IMP::Ints a1)
984 set_value(ExampleDecorator self, StringKey a0, IMP::String a1)
985 set_value(ExampleDecorator self, ParticleIndexKey a0, Particle a1)
986 set_value(ExampleDecorator self, ObjectKey a0, Object a1)
987 set_value(ExampleDecorator self, SparseFloatKey a0, IMP::Float a1)
988 set_value(ExampleDecorator self, SparseIntKey a0, IMP::Int a1)
989 set_value(ExampleDecorator self, SparseStringKey a0, IMP::String a1)
990 set_value(ExampleDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
992 return _IMP_example.ExampleDecorator_set_value(self, *args)
994 def remove_attribute(self, *args):
996 remove_attribute(ExampleDecorator self, FloatKey a0)
997 remove_attribute(ExampleDecorator self, IntKey a0)
998 remove_attribute(ExampleDecorator self, FloatsKey a0)
999 remove_attribute(ExampleDecorator self, IntsKey a0)
1000 remove_attribute(ExampleDecorator self, StringKey a0)
1001 remove_attribute(ExampleDecorator self, ParticleIndexKey a0)
1002 remove_attribute(ExampleDecorator self, ObjectKey a0)
1003 remove_attribute(ExampleDecorator self, SparseFloatKey a0)
1004 remove_attribute(ExampleDecorator self, SparseIntKey a0)
1005 remove_attribute(ExampleDecorator self, SparseStringKey a0)
1006 remove_attribute(ExampleDecorator self, SparseParticleIndexKey a0)
1008 return _IMP_example.ExampleDecorator_remove_attribute(self, *args)
1010 def has_attribute(self, *args):
1012 has_attribute(ExampleDecorator self, FloatKey a0) -> bool
1013 has_attribute(ExampleDecorator self, IntKey a0) -> bool
1014 has_attribute(ExampleDecorator self, FloatsKey a0) -> bool
1015 has_attribute(ExampleDecorator self, IntsKey a0) -> bool
1016 has_attribute(ExampleDecorator self, StringKey a0) -> bool
1017 has_attribute(ExampleDecorator self, ParticleIndexKey a0) -> bool
1018 has_attribute(ExampleDecorator self, ObjectKey a0) -> bool
1019 has_attribute(ExampleDecorator self, SparseFloatKey a0) -> bool
1020 has_attribute(ExampleDecorator self, SparseIntKey a0) -> bool
1021 has_attribute(ExampleDecorator self, SparseStringKey a0) -> bool
1022 has_attribute(ExampleDecorator self, SparseParticleIndexKey a0) -> bool
1024 return _IMP_example.ExampleDecorator_has_attribute(self, *args)
1026 def get_derivative(self, a0):
1027 r"""get_derivative(ExampleDecorator self, FloatKey a0) -> double"""
1028 return _IMP_example.ExampleDecorator_get_derivative(self, a0)
1031 r"""get_name(ExampleDecorator self) -> std::string"""
1032 return _IMP_example.ExampleDecorator_get_name(self)
1035 r"""clear_caches(ExampleDecorator self)"""
1036 return _IMP_example.ExampleDecorator_clear_caches(self)
1038 def set_name(self, a0):
1039 r"""set_name(ExampleDecorator self, std::string a0)"""
1040 return _IMP_example.ExampleDecorator_set_name(self, a0)
1043 r"""set_check_level(ExampleDecorator self, IMP::CheckLevel a0)"""
1044 return _IMP_example.ExampleDecorator_set_check_level(self, a0)
1046 def add_to_derivative(self, a0, a1, a2):
1047 r"""add_to_derivative(ExampleDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1048 return _IMP_example.ExampleDecorator_add_to_derivative(self, a0, a1, a2)
1050 def set_is_optimized(self, a0, a1):
1051 r"""set_is_optimized(ExampleDecorator self, FloatKey a0, bool a1)"""
1052 return _IMP_example.ExampleDecorator_set_is_optimized(self, a0, a1)
1054 def get_is_optimized(self, a0):
1055 r"""get_is_optimized(ExampleDecorator self, FloatKey a0) -> bool"""
1056 return _IMP_example.ExampleDecorator_get_is_optimized(self, a0)
1058 def get_check_level(self):
1059 r"""get_check_level(ExampleDecorator self) -> IMP::CheckLevel"""
1060 return _IMP_example.ExampleDecorator_get_check_level(self)
1062 def __eq__(self, *args):
1064 __eq__(ExampleDecorator self, ExampleDecorator o) -> bool
1065 __eq__(ExampleDecorator self, Particle d) -> bool
1067 return _IMP_example.ExampleDecorator___eq__(self, *args)
1069 def __ne__(self, *args):
1071 __ne__(ExampleDecorator self, ExampleDecorator o) -> bool
1072 __ne__(ExampleDecorator self, Particle d) -> bool
1074 return _IMP_example.ExampleDecorator___ne__(self, *args)
1076 def __le__(self, *args):
1078 __le__(ExampleDecorator self, ExampleDecorator o) -> bool
1079 __le__(ExampleDecorator self, Particle d) -> bool
1081 return _IMP_example.ExampleDecorator___le__(self, *args)
1083 def __lt__(self, *args):
1085 __lt__(ExampleDecorator self, ExampleDecorator o) -> bool
1086 __lt__(ExampleDecorator self, Particle d) -> bool
1088 return _IMP_example.ExampleDecorator___lt__(self, *args)
1090 def __ge__(self, *args):
1092 __ge__(ExampleDecorator self, ExampleDecorator o) -> bool
1093 __ge__(ExampleDecorator self, Particle d) -> bool
1095 return _IMP_example.ExampleDecorator___ge__(self, *args)
1097 def __gt__(self, *args):
1099 __gt__(ExampleDecorator self, ExampleDecorator o) -> bool
1100 __gt__(ExampleDecorator self, Particle d) -> bool
1102 return _IMP_example.ExampleDecorator___gt__(self, *args)
1105 r"""__hash__(ExampleDecorator self) -> std::size_t"""
1106 return _IMP_example.ExampleDecorator___hash__(self)
1109 r"""__str__(ExampleDecorator self) -> std::string"""
1110 return _IMP_example.ExampleDecorator___str__(self)
1113 r"""__repr__(ExampleDecorator self) -> std::string"""
1114 return _IMP_example.ExampleDecorator___repr__(self)
1116 def _get_as_binary(self):
1117 r"""_get_as_binary(ExampleDecorator self) -> PyObject *"""
1118 return _IMP_example.ExampleDecorator__get_as_binary(self)
1120 def _set_from_binary(self, p):
1121 r"""_set_from_binary(ExampleDecorator self, PyObject * p)"""
1122 return _IMP_example.ExampleDecorator__set_from_binary(self, p)
1124 def __getstate__(self):
1125 p = self._get_as_binary()
1126 if len(self.__dict__) > 1:
1127 d = self.__dict__.copy()
1132 def __setstate__(self, p):
1133 if not hasattr(self,
'this'):
1135 if isinstance(p, tuple):
1137 self.__dict__.update(d)
1138 return self._set_from_binary(p)
1140 __swig_destroy__ = _IMP_example.delete_ExampleDecorator
1143 _IMP_example.ExampleDecorator_swigregister(ExampleDecorator)
1145 def __lshift__(out, n):
1146 r"""__lshift__(_ostream out, ExampleDecorator n) -> _ostream"""
1147 return _IMP_example.__lshift__(out, n)
1149 r"""Proxy of C++ IMP::example::ExampleUnaryFunction class."""
1151 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1153 def __init__(self, *args):
1155 __init__(ExampleUnaryFunction self, IMP::Float center, IMP::Float k) -> ExampleUnaryFunction
1156 __init__(ExampleUnaryFunction self) -> ExampleUnaryFunction
1158 _IMP_example.ExampleUnaryFunction_swiginit(self, _IMP_example.new_ExampleUnaryFunction(*args))
1160 def get_center(self):
1161 r"""get_center(ExampleUnaryFunction self) -> IMP::Float"""
1162 return _IMP_example.ExampleUnaryFunction_get_center(self)
1164 def get_force_constant(self):
1165 r"""get_force_constant(ExampleUnaryFunction self) -> IMP::Float"""
1166 return _IMP_example.ExampleUnaryFunction_get_force_constant(self)
1169 r"""get_version_info(ExampleUnaryFunction self) -> VersionInfo"""
1170 return _IMP_example.ExampleUnaryFunction_get_version_info(self)
1171 __swig_destroy__ = _IMP_example.delete_ExampleUnaryFunction
1174 r"""__str__(ExampleUnaryFunction self) -> std::string"""
1175 return _IMP_example.ExampleUnaryFunction___str__(self)
1178 r"""__repr__(ExampleUnaryFunction self) -> std::string"""
1179 return _IMP_example.ExampleUnaryFunction___repr__(self)
1183 return _object_cast_to_ExampleUnaryFunction(o)
1186 def _get_as_binary(self):
1187 r"""_get_as_binary(ExampleUnaryFunction self) -> PyObject *"""
1188 return _IMP_example.ExampleUnaryFunction__get_as_binary(self)
1190 def _set_from_binary(self, p):
1191 r"""_set_from_binary(ExampleUnaryFunction self, PyObject * p)"""
1192 return _IMP_example.ExampleUnaryFunction__set_from_binary(self, p)
1194 def __getstate__(self):
1195 p = self._get_as_binary()
1196 if len(self.__dict__) > 1:
1197 d = self.__dict__.copy()
1202 def __setstate__(self, p):
1203 if not hasattr(self,
'this'):
1205 if isinstance(p, tuple):
1207 self.__dict__.update(d)
1208 return self._set_from_binary(p)
1212 """Implementation of the unary function using JAX"""
1214 def score(feature, center, k):
1215 return 0.5 * k * (feature - center) ** 2
1216 return functools.partial(score, center=self.get_center(),
1217 k=self.get_force_constant())
1221 _IMP_example.ExampleUnaryFunction_swigregister(ExampleUnaryFunction)
1223 r"""Proxy of C++ IMP::example::ExampleObject class."""
1225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1227 def __init__(self, *args):
1229 __init__(ExampleObject self, IMP::Floats const & data) -> ExampleObject
1230 __init__(ExampleObject self) -> ExampleObject
1232 _IMP_example.ExampleObject_swiginit(self, _IMP_example.new_ExampleObject(*args))
1234 def get_data(self, i):
1235 r"""get_data(ExampleObject self, unsigned int i) -> double"""
1236 return _IMP_example.ExampleObject_get_data(self, i)
1239 r"""get_version_info(ExampleObject self) -> VersionInfo"""
1240 return _IMP_example.ExampleObject_get_version_info(self)
1241 __swig_destroy__ = _IMP_example.delete_ExampleObject
1244 r"""__str__(ExampleObject self) -> std::string"""
1245 return _IMP_example.ExampleObject___str__(self)
1248 r"""__repr__(ExampleObject self) -> std::string"""
1249 return _IMP_example.ExampleObject___repr__(self)
1253 return _object_cast_to_ExampleObject(o)
1256 def _get_as_binary(self):
1257 r"""_get_as_binary(ExampleObject self) -> PyObject *"""
1258 return _IMP_example.ExampleObject__get_as_binary(self)
1260 def _set_from_binary(self, p):
1261 r"""_set_from_binary(ExampleObject self, PyObject * p)"""
1262 return _IMP_example.ExampleObject__set_from_binary(self, p)
1264 def __getstate__(self):
1265 p = self._get_as_binary()
1266 if len(self.__dict__) > 1:
1267 d = self.__dict__.copy()
1272 def __setstate__(self, p):
1273 if not hasattr(self,
'this'):
1275 if isinstance(p, tuple):
1277 self.__dict__.update(d)
1278 return self._set_from_binary(p)
1282 _IMP_example.ExampleObject_swigregister(ExampleObject)
1284 r"""Proxy of C++ IMP::example::ExampleSingletonModifier class."""
1286 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1288 def __init__(self, *args):
1290 __init__(ExampleSingletonModifier self, BoundingBox3D bb) -> ExampleSingletonModifier
1291 __init__(ExampleSingletonModifier self) -> ExampleSingletonModifier
1293 _IMP_example.ExampleSingletonModifier_swiginit(self, _IMP_example.new_ExampleSingletonModifier(*args))
1295 def get_bounding_box(self):
1296 r"""get_bounding_box(ExampleSingletonModifier self) -> BoundingBox3D"""
1297 return _IMP_example.ExampleSingletonModifier_get_bounding_box(self)
1300 r"""do_get_inputs(ExampleSingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1301 return _IMP_example.ExampleSingletonModifier_do_get_inputs(self, m, pis)
1304 r"""do_get_outputs(ExampleSingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1305 return _IMP_example.ExampleSingletonModifier_do_get_outputs(self, m, pis)
1308 r"""get_version_info(ExampleSingletonModifier self) -> VersionInfo"""
1309 return _IMP_example.ExampleSingletonModifier_get_version_info(self)
1310 __swig_destroy__ = _IMP_example.delete_ExampleSingletonModifier
1313 r"""__str__(ExampleSingletonModifier self) -> std::string"""
1314 return _IMP_example.ExampleSingletonModifier___str__(self)
1317 r"""__repr__(ExampleSingletonModifier self) -> std::string"""
1318 return _IMP_example.ExampleSingletonModifier___repr__(self)
1322 return _object_cast_to_ExampleSingletonModifier(o)
1325 def _get_as_binary(self):
1326 r"""_get_as_binary(ExampleSingletonModifier self) -> PyObject *"""
1327 return _IMP_example.ExampleSingletonModifier__get_as_binary(self)
1329 def _set_from_binary(self, p):
1330 r"""_set_from_binary(ExampleSingletonModifier self, PyObject * p)"""
1331 return _IMP_example.ExampleSingletonModifier__set_from_binary(self, p)
1333 def __getstate__(self):
1334 p = self._get_as_binary()
1335 if len(self.__dict__) > 1:
1336 d = self.__dict__.copy()
1341 def __setstate__(self, p):
1342 if not hasattr(self,
'this'):
1344 if isinstance(p, tuple):
1346 self.__dict__.update(d)
1347 return self._set_from_binary(p)
1350 def _get_jax(self, m, index=None):
1351 """Implementation of the modifier using JAX"""
1353 import jax.numpy
as jnp
1354 def apply_func(jm, indexes, box):
1355 jm[
'xyz'] = jm[
'xyz'].at[index].set(
1356 jnp.mod(jm[
'xyz'][index], box[1] - box[0]) + box[0])
1358 box = jnp.array([self.get_bounding_box().get_corner(x)
1360 return self._wrap_jax(
1361 functools.partial(apply_func, box=box))
1365 _IMP_example.ExampleSingletonModifier_swigregister(ExampleSingletonModifier)
1367 r"""Proxy of C++ IMP::example::ExamplePairScore class."""
1369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1371 def __init__(self, *args):
1373 __init__(ExamplePairScore self, double x0, double k) -> ExamplePairScore
1374 __init__(ExamplePairScore self) -> ExamplePairScore
1376 _IMP_example.ExamplePairScore_swiginit(self, _IMP_example.new_ExamplePairScore(*args))
1379 r"""get_mean(ExamplePairScore self) -> double"""
1380 return _IMP_example.ExamplePairScore_get_mean(self)
1382 def get_force_constant(self):
1383 r"""get_force_constant(ExamplePairScore self) -> double"""
1384 return _IMP_example.ExamplePairScore_get_force_constant(self)
1387 r"""do_get_inputs(ExamplePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1388 return _IMP_example.ExamplePairScore_do_get_inputs(self, m, pis)
1390 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1391 r"""evaluate_indexes(ExamplePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1392 return _IMP_example.ExamplePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1394 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1395 r"""evaluate_indexes_scores(ExamplePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
1396 return _IMP_example.ExamplePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1398 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1399 r"""evaluate_indexes_delta(ExamplePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
1400 return _IMP_example.ExamplePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1402 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1403 r"""evaluate_if_good_indexes(ExamplePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1404 return _IMP_example.ExamplePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1407 r"""get_version_info(ExamplePairScore self) -> VersionInfo"""
1408 return _IMP_example.ExamplePairScore_get_version_info(self)
1409 __swig_destroy__ = _IMP_example.delete_ExamplePairScore
1412 r"""__str__(ExamplePairScore self) -> std::string"""
1413 return _IMP_example.ExamplePairScore___str__(self)
1416 r"""__repr__(ExamplePairScore self) -> std::string"""
1417 return _IMP_example.ExamplePairScore___repr__(self)
1421 return _object_cast_to_ExamplePairScore(o)
1424 def _get_as_binary(self):
1425 r"""_get_as_binary(ExamplePairScore self) -> PyObject *"""
1426 return _IMP_example.ExamplePairScore__get_as_binary(self)
1428 def _set_from_binary(self, p):
1429 r"""_set_from_binary(ExamplePairScore self, PyObject * p)"""
1430 return _IMP_example.ExamplePairScore__set_from_binary(self, p)
1432 def __getstate__(self):
1433 p = self._get_as_binary()
1434 if len(self.__dict__) > 1:
1435 d = self.__dict__.copy()
1440 def __setstate__(self, p):
1441 if not hasattr(self,
'this'):
1443 if isinstance(p, tuple):
1445 self.__dict__.update(d)
1446 return self._set_from_binary(p)
1450 """Implementation of the score using JAX"""
1451 import jax.numpy
as jnp
1453 def pair_score(jm, indexes, x0, k):
1454 xyzs = jm[
'xyz'][indexes]
1455 diff = jnp.linalg.norm(xyzs[:,0] - xyzs[:,1], axis=1) - x0
1456 return 0.5 * k * diff * diff
1457 f = functools.partial(pair_score, x0=self.get_mean(),
1458 k=self.get_force_constant())
1459 return self._wrap_jax(f)
1463 _IMP_example.ExamplePairScore_swigregister(ExamplePairScore)
1465 r"""Proxy of C++ IMP::example::ExampleSubsetFilterTable class."""
1467 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1469 def __init__(self, max_diff, pt):
1470 r"""__init__(ExampleSubsetFilterTable self, unsigned int max_diff, IMP::ParticlesTemp const & pt) -> ExampleSubsetFilterTable"""
1471 _IMP_example.ExampleSubsetFilterTable_swiginit(self, _IMP_example.new_ExampleSubsetFilterTable(max_diff, pt))
1474 r"""get_version_info(ExampleSubsetFilterTable self) -> VersionInfo"""
1475 return _IMP_example.ExampleSubsetFilterTable_get_version_info(self)
1476 __swig_destroy__ = _IMP_example.delete_ExampleSubsetFilterTable
1479 r"""__str__(ExampleSubsetFilterTable self) -> std::string"""
1480 return _IMP_example.ExampleSubsetFilterTable___str__(self)
1483 r"""__repr__(ExampleSubsetFilterTable self) -> std::string"""
1484 return _IMP_example.ExampleSubsetFilterTable___repr__(self)
1488 return _object_cast_to_ExampleSubsetFilterTable(o)
1492 _IMP_example.ExampleSubsetFilterTable_swigregister(ExampleSubsetFilterTable)
1494 r"""Proxy of C++ IMP::example::ExampleConstraint class."""
1496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1498 def __init__(self, *args):
1500 __init__(ExampleConstraint self, Particle p) -> ExampleConstraint
1501 __init__(ExampleConstraint self) -> ExampleConstraint
1503 _IMP_example.ExampleConstraint_swiginit(self, _IMP_example.new_ExampleConstraint(*args))
1506 r"""get_index(ExampleConstraint self) -> ParticleIndex"""
1507 return _IMP_example.ExampleConstraint_get_index(self)
1510 r"""do_get_inputs(ExampleConstraint self) -> IMP::ModelObjectsTemp"""
1511 return _IMP_example.ExampleConstraint_do_get_inputs(self)
1514 r"""do_get_outputs(ExampleConstraint self) -> IMP::ModelObjectsTemp"""
1515 return _IMP_example.ExampleConstraint_do_get_outputs(self)
1519 r"""get_key() -> IntKey"""
1520 return _IMP_example.ExampleConstraint_get_key()
1523 r"""get_version_info(ExampleConstraint self) -> VersionInfo"""
1524 return _IMP_example.ExampleConstraint_get_version_info(self)
1525 __swig_destroy__ = _IMP_example.delete_ExampleConstraint
1528 r"""__str__(ExampleConstraint self) -> std::string"""
1529 return _IMP_example.ExampleConstraint___str__(self)
1532 r"""__repr__(ExampleConstraint self) -> std::string"""
1533 return _IMP_example.ExampleConstraint___repr__(self)
1537 return _object_cast_to_ExampleConstraint(o)
1540 def _get_as_binary(self):
1541 r"""_get_as_binary(ExampleConstraint self) -> PyObject *"""
1542 return _IMP_example.ExampleConstraint__get_as_binary(self)
1544 def _set_from_binary(self, p):
1545 r"""_set_from_binary(ExampleConstraint self, PyObject * p)"""
1546 return _IMP_example.ExampleConstraint__set_from_binary(self, p)
1548 def __getstate__(self):
1549 p = self._get_as_binary()
1550 if len(self.__dict__) > 1:
1551 d = self.__dict__.copy()
1556 def __setstate__(self, p):
1557 if not hasattr(self,
'this'):
1559 if isinstance(p, tuple):
1561 self.__dict__.update(d)
1562 return self._set_from_binary(p)
1566 """Implementation of the constraint using JAX.
1567 Similar to a Restraint, we must return a single JAX function which
1568 takes as input a JAX Model. However, in this case the function
1569 must return a new JAX Model, with the constraint applied."""
1571 def apply_func(jm, key, index):
1576 jm[key] = jm[key].at[index].add(1)
1578 key = self.get_key()
1579 f = functools.partial(apply_func, key=key.get_string(),
1580 index=self.get_index())
1585 return self._wrap_jax(f, keys=(key,))
1589 _IMP_example.ExampleConstraint_swigregister(ExampleConstraint)
1592 r"""get_number_of_incidences(IMP::ParticlesTemp const & psa, IMP::ParticlesTemp const & psb, double point_distance) -> unsigned int"""
1593 return _IMP_example.get_number_of_incidences(psa, psb, point_distance)
1596 r"""create_chain_restraint(Model m, IMP::ParticleIndexes const & ps, double length_factor, double k, std::string name) -> Restraint"""
1597 return _IMP_example.create_chain_restraint(m, ps, length_factor, k, name)
1600 r"""create_excluded_volume(Model m, IMP::ParticleIndexes const & ps, double k, std::string name) -> Restraint"""
1601 return _IMP_example.create_excluded_volume(m, ps, k, name)
1603 r"""Proxy of C++ IMP::example::ExampleTemplateClassD< 3 > class."""
1605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1607 def __init__(self, *args):
1609 __init__(ExampleTemplateClass3D self) -> ExampleTemplateClass3D
1610 __init__(ExampleTemplateClass3D self, Vector3D a, Vector3D b) -> ExampleTemplateClass3D
1612 _IMP_example.ExampleTemplateClass3D_swiginit(self, _IMP_example.new_ExampleTemplateClass3D(*args))
1614 def get_point(self, i):
1615 r"""get_point(ExampleTemplateClass3D self, unsigned int i) -> Vector3D"""
1616 return _IMP_example.ExampleTemplateClass3D_get_point(self, i)
1618 def show(self, *args):
1619 r"""show(ExampleTemplateClass3D self, _ostream out=std::cout)"""
1620 return _IMP_example.ExampleTemplateClass3D_show(self, *args)
1623 r"""__str__(ExampleTemplateClass3D self) -> std::string"""
1624 return _IMP_example.ExampleTemplateClass3D___str__(self)
1627 r"""__repr__(ExampleTemplateClass3D self) -> std::string"""
1628 return _IMP_example.ExampleTemplateClass3D___repr__(self)
1629 __swig_destroy__ = _IMP_example.delete_ExampleTemplateClass3D
1632 _IMP_example.ExampleTemplateClass3D_swigregister(ExampleTemplateClass3D)
1634 def get_module_name():
1635 r"""get_module_name() -> std::string const"""
1636 return _IMP_example.get_module_name()
1639 r"""get_module_version() -> std::string const"""
1640 return _IMP_example.get_module_version()
1643 r"""get_example_path(std::string fname) -> std::string"""
1644 return _IMP_example.get_example_path(fname)
1647 r"""get_data_path(std::string fname) -> std::string"""
1648 return _IMP_example.get_data_path(fname)
1650 from .
import _version_check
unsigned int get_number_of_incidences(const ParticlesTemp &psa, const ParticlesTemp &psb, double point_distance)
A base class for modifiers of ParticlesTemp.
Abstract class for scoring object(s) of type ParticleIndexPair.
double get_mean(const cv::Mat &mat, const cvIntMat &mask)
virtual double evaluate(double feature) const
Calculate score with respect to the given feature.
An example PairScore written in Python.
An example SingletonModifier written in Python.
Various classes to hold sets of particles.
static XYZR setup_particle(Model *m, ParticleIndex pi)
An example UnaryFunction written in Python.
Make CGAL functionality available to IMP.
A line segment templated on the dimension.
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
virtual void clear_caches()
virtual ModelObjectsTemp do_get_outputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the outputs.
Composable functors to implement scores via compile-time composition.
Restraint * create_excluded_volume(Model *m, const ParticleIndexes &ps, double k, std::string name)
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
Code to compute statistical measures.
Implement a constraint on the Model.
Class for storing model, its restraints, constraints, and particles.
An example simple object which is reference counted.
A simple decorator which adds a name to a particle.
An example Constraint written in Python.
def evaluate_index
Pure Python implementation of the score.
An example singleton modifier.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
Store a list of ParticleIndexes.
An example restraint written in Python.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Restrain a particle to be in the x,y plane.
Basic utilities for handling cryo-electron microscopy 3D density maps.
A decorator for a particle with x,y,z coordinates.
Interface to specialized Particle types (e.g. atoms)
virtual ModelObjectsTemp do_get_outputs() const =0
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...
virtual void apply_index(Model *m, ParticleIndex v) const =0
std::string get_module_version()
Return the version of this module, as a string.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
virtual DerivativePair evaluate_with_derivative(double feature) const
Calculate score and derivative with respect to the given feature.
def do_add_score_and_derivatives
Pure Python implementation of the restraint.
void set_check_level(CheckLevel l)
Apply a harmonic to the distance between two particles.
Restraint * create_chain_restraint(Model *m, const ParticleIndexes &ps, double length_factor, double k, std::string name)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Model * get_model() const
A trivial constraint that just increments a counter.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
Support for the RMF file format for storing hierarchical molecular data and markup.
Abstract single variable functor class for score functions.
virtual ModelObjectsTemp do_get_inputs() const =0
Divide-and-conquer inferential optimization in discrete space.
Support for small angle X-ray scattering (SAXS) data.
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...
A restraint is a term in an IMP ScoringFunction.