20 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 class _SwigNonDynamicMeta(type):
53 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
54 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
59 class IMP_EXAMPLE_SwigPyIterator(object):
60 r"""Proxy of C++ swig::IMP_EXAMPLE_SwigPyIterator class."""
62 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
64 def __init__(self, *args, **kwargs):
65 raise AttributeError(
"No constructor defined - class is abstract")
67 __swig_destroy__ = _IMP_example.delete_IMP_EXAMPLE_SwigPyIterator
70 r"""value(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
71 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_value(self)
74 r"""incr(IMP_EXAMPLE_SwigPyIterator self, size_t n=1) -> IMP_EXAMPLE_SwigPyIterator"""
75 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_incr(self, n)
78 r"""decr(IMP_EXAMPLE_SwigPyIterator self, size_t n=1) -> IMP_EXAMPLE_SwigPyIterator"""
79 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_decr(self, n)
81 def distance(self, x):
82 r"""distance(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> ptrdiff_t"""
83 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_distance(self, x)
86 r"""equal(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
87 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_equal(self, x)
90 r"""copy(IMP_EXAMPLE_SwigPyIterator self) -> IMP_EXAMPLE_SwigPyIterator"""
91 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_copy(self)
94 r"""__next__(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
95 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___next__(self)
98 r"""previous(IMP_EXAMPLE_SwigPyIterator self) -> PyObject *"""
99 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_previous(self)
101 def advance(self, n):
102 r"""advance(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
103 return _IMP_example.IMP_EXAMPLE_SwigPyIterator_advance(self, n)
106 r"""__eq__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
107 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___eq__(self, x)
110 r"""__ne__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> bool"""
111 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___ne__(self, x)
113 def __iadd__(self, n):
114 r"""__iadd__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
115 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___iadd__(self, n)
117 def __isub__(self, n):
118 r"""__isub__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
119 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___isub__(self, n)
121 def __add__(self, n):
122 r"""__add__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator"""
123 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___add__(self, n)
125 def __sub__(self, *args):
127 __sub__(IMP_EXAMPLE_SwigPyIterator self, ptrdiff_t n) -> IMP_EXAMPLE_SwigPyIterator
128 __sub__(IMP_EXAMPLE_SwigPyIterator self, IMP_EXAMPLE_SwigPyIterator x) -> ptrdiff_t
130 return _IMP_example.IMP_EXAMPLE_SwigPyIterator___sub__(self, *args)
135 _IMP_example.IMP_EXAMPLE_SwigPyIterator_swigregister(IMP_EXAMPLE_SwigPyIterator)
142 IMP_DEBUG = _IMP_example.IMP_DEBUG
144 IMP_RELEASE = _IMP_example.IMP_RELEASE
146 IMP_SILENT = _IMP_example.IMP_SILENT
148 IMP_PROGRESS = _IMP_example.IMP_PROGRESS
150 IMP_TERSE = _IMP_example.IMP_TERSE
152 IMP_VERBOSE = _IMP_example.IMP_VERBOSE
154 IMP_MEMORY = _IMP_example.IMP_MEMORY
156 IMP_NONE = _IMP_example.IMP_NONE
158 IMP_USAGE = _IMP_example.IMP_USAGE
160 IMP_INTERNAL = _IMP_example.IMP_INTERNAL
162 IMP_KERNEL_HAS_LOG4CXX = _IMP_example.IMP_KERNEL_HAS_LOG4CXX
164 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_example.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
166 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_example.IMP_COMPILER_HAS_DEBUG_VECTOR
168 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_example.IMP_COMPILER_HAS_RANDOM_SHUFFLE
170 IMP_COMPILER_HAS_THREE_WAY = _IMP_example.IMP_COMPILER_HAS_THREE_WAY
172 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_example.IMP_KERNEL_HAS_BOOST_RANDOM
174 IMP_KERNEL_HAS_NUMPY = _IMP_example.IMP_KERNEL_HAS_NUMPY
176 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_example.IMP_KERNEL_HAS_BOOST_SYSTEM
178 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_example.IMP_KERNEL_HAS_GPERFTOOLS
180 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_example.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
182 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_example.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
184 IMPKERNEL_SHOW_WARNINGS = _IMP_example.IMPKERNEL_SHOW_WARNINGS
188 class _DirectorObjects:
189 """@internal Simple class to keep references to director objects
190 to prevent premature deletion."""
193 def register(self, obj):
194 """Take a reference to a director object; will only work for
195 refcounted C++ classes"""
196 if hasattr(obj,
'get_ref_count'):
197 self._objects.append(obj)
199 """Only drop our reference and allow cleanup by Python if no other
200 Python references exist (we hold 3 references: one in self._objects,
201 one in x, and one in the argument list for getrefcount) *and* no
202 other C++ references exist (the Python object always holds one)"""
203 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
204 or x.get_ref_count() > 1]
208 def get_object_count(self):
209 """Get number of director objects (useful for testing only)"""
210 return len(self._objects)
211 _director_objects = _DirectorObjects()
213 class _ostream(object):
214 r"""Proxy of C++ std::ostream class."""
216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
218 def __init__(self, *args, **kwargs):
219 raise AttributeError(
"No constructor defined")
220 __repr__ = _swig_repr
222 def write(self, osa_buf):
223 r"""write(_ostream self, char const * osa_buf)"""
224 return _IMP_example._ostream_write(self, osa_buf)
227 _IMP_example._ostream_swigregister(_ostream)
228 IMP_C_OPEN_BINARY = _IMP_example.IMP_C_OPEN_BINARY
231 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CGAL_HAS_BOOST_FILESYSTEM
233 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
235 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_example.IMP_CGAL_HAS_BOOST_RANDOM
237 IMP_CGAL_HAS_NUMPY = _IMP_example.IMP_CGAL_HAS_NUMPY
239 IMPCGAL_SHOW_WARNINGS = _IMP_example.IMPCGAL_SHOW_WARNINGS
242 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_example.IMP_ALGEBRA_HAS_IMP_CGAL
244 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
248 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_example.IMP_ALGEBRA_HAS_BOOST_RANDOM
250 IMP_ALGEBRA_HAS_CGAL = _IMP_example.IMP_ALGEBRA_HAS_CGAL
252 IMP_ALGEBRA_HAS_NUMPY = _IMP_example.IMP_ALGEBRA_HAS_NUMPY
254 IMP_ALGEBRA_HAS_ANN = _IMP_example.IMP_ALGEBRA_HAS_ANN
256 IMPALGEBRA_SHOW_WARNINGS = _IMP_example.IMPALGEBRA_SHOW_WARNINGS
259 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_example.IMP_DISPLAY_HAS_IMP_CGAL
261 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
265 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_example.IMP_DISPLAY_HAS_BOOST_RANDOM
267 IMP_DISPLAY_HAS_CGAL = _IMP_example.IMP_DISPLAY_HAS_CGAL
269 IMP_DISPLAY_HAS_NUMPY = _IMP_example.IMP_DISPLAY_HAS_NUMPY
271 IMPDISPLAY_SHOW_WARNINGS = _IMP_example.IMPDISPLAY_SHOW_WARNINGS
274 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_example.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
276 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
278 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_example.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_example.IMP_SCORE_FUNCTOR_HAS_CGAL
284 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_example.IMP_SCORE_FUNCTOR_HAS_HDF5
286 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_example.IMP_SCORE_FUNCTOR_HAS_NUMPY
288 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_example.IMPSCOREFUNCTOR_SHOW_WARNINGS
291 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_example.IMP_STATISTICS_HAS_IMP_CGAL
293 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
295 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
297 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_example.IMP_STATISTICS_HAS_BOOST_RANDOM
299 IMP_STATISTICS_HAS_CGAL = _IMP_example.IMP_STATISTICS_HAS_CGAL
301 IMP_STATISTICS_HAS_NUMPY = _IMP_example.IMP_STATISTICS_HAS_NUMPY
303 IMPSTATISTICS_SHOW_WARNINGS = _IMP_example.IMPSTATISTICS_SHOW_WARNINGS
306 IMP_CORE_HAS_IMP_CGAL = _IMP_example.IMP_CORE_HAS_IMP_CGAL
308 IMP_CORE_HAS_IMP_KERNEL = _IMP_example.IMP_CORE_HAS_IMP_KERNEL
310 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CORE_HAS_BOOST_FILESYSTEM
312 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
314 IMP_CORE_HAS_BOOST_RANDOM = _IMP_example.IMP_CORE_HAS_BOOST_RANDOM
316 IMP_CORE_HAS_CGAL = _IMP_example.IMP_CORE_HAS_CGAL
318 IMP_CORE_HAS_HDF5 = _IMP_example.IMP_CORE_HAS_HDF5
320 IMP_CORE_HAS_NUMPY = _IMP_example.IMP_CORE_HAS_NUMPY
322 IMPCORE_SHOW_WARNINGS = _IMP_example.IMPCORE_SHOW_WARNINGS
325 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_example.IMP_CONTAINER_HAS_IMP_ALGEBRA
327 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_example.IMP_CONTAINER_HAS_IMP_CGAL
329 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_example.IMP_CONTAINER_HAS_IMP_DISPLAY
331 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_example.IMP_CONTAINER_HAS_IMP_KERNEL
333 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
335 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
337 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
339 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_example.IMP_CONTAINER_HAS_BOOST_RANDOM
341 IMP_CONTAINER_HAS_CGAL = _IMP_example.IMP_CONTAINER_HAS_CGAL
343 IMP_CONTAINER_HAS_HDF5 = _IMP_example.IMP_CONTAINER_HAS_HDF5
345 IMP_CONTAINER_HAS_NUMPY = _IMP_example.IMP_CONTAINER_HAS_NUMPY
347 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_example.IMP_CONTAINER_HAS_PYTHON_IHM
349 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_example.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
351 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_example.IMP_CONTAINER_HAS_ROBIN_MAP
353 IMPCONTAINER_SHOW_WARNINGS = _IMP_example.IMPCONTAINER_SHOW_WARNINGS
356 IMP_ATOM_HAS_IMP_CGAL = _IMP_example.IMP_ATOM_HAS_IMP_CGAL
358 IMP_ATOM_HAS_IMP_KERNEL = _IMP_example.IMP_ATOM_HAS_IMP_KERNEL
360 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
362 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
364 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_example.IMP_ATOM_HAS_BOOST_RANDOM
366 IMP_ATOM_HAS_BOOST_REGEX = _IMP_example.IMP_ATOM_HAS_BOOST_REGEX
368 IMP_ATOM_HAS_CGAL = _IMP_example.IMP_ATOM_HAS_CGAL
370 IMP_ATOM_HAS_HDF5 = _IMP_example.IMP_ATOM_HAS_HDF5
372 IMP_ATOM_HAS_NUMPY = _IMP_example.IMP_ATOM_HAS_NUMPY
374 IMP_ATOM_HAS_PYTHON_IHM = _IMP_example.IMP_ATOM_HAS_PYTHON_IHM
376 IMPATOM_SHOW_WARNINGS = _IMP_example.IMPATOM_SHOW_WARNINGS
378 IMP_ATOM_TYPE_INDEX = _IMP_example.IMP_ATOM_TYPE_INDEX
380 IMP_RESIDUE_TYPE_INDEX = _IMP_example.IMP_RESIDUE_TYPE_INDEX
382 IMP_HIERARCHY_TYPE_INDEX = _IMP_example.IMP_HIERARCHY_TYPE_INDEX
384 IMP_CHAIN_TYPE_INDEX = _IMP_example.IMP_CHAIN_TYPE_INDEX
387 IMP_EM_HAS_IMP_CGAL = _IMP_example.IMP_EM_HAS_IMP_CGAL
389 IMP_EM_HAS_IMP_CONTAINER = _IMP_example.IMP_EM_HAS_IMP_CONTAINER
391 IMP_EM_HAS_IMP_DISPLAY = _IMP_example.IMP_EM_HAS_IMP_DISPLAY
393 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_EM_HAS_IMP_SCORE_FUNCTOR
395 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_EM_HAS_BOOST_FILESYSTEM
397 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
399 IMP_EM_HAS_BOOST_RANDOM = _IMP_example.IMP_EM_HAS_BOOST_RANDOM
401 IMP_EM_HAS_BOOST_REGEX = _IMP_example.IMP_EM_HAS_BOOST_REGEX
403 IMP_EM_HAS_CGAL = _IMP_example.IMP_EM_HAS_CGAL
405 IMP_EM_HAS_HDF5 = _IMP_example.IMP_EM_HAS_HDF5
407 IMP_EM_HAS_NUMPY = _IMP_example.IMP_EM_HAS_NUMPY
409 IMP_EM_HAS_PYTHON_IHM = _IMP_example.IMP_EM_HAS_PYTHON_IHM
411 IMPEM_SHOW_WARNINGS = _IMP_example.IMPEM_SHOW_WARNINGS
414 IMP_SAXS_HAS_IMP_CGAL = _IMP_example.IMP_SAXS_HAS_IMP_CGAL
416 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_example.IMP_SAXS_HAS_IMP_CONTAINER
418 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_example.IMP_SAXS_HAS_IMP_DISPLAY
420 IMP_SAXS_HAS_IMP_KERNEL = _IMP_example.IMP_SAXS_HAS_IMP_KERNEL
422 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
424 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_SAXS_HAS_BOOST_FILESYSTEM
426 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
428 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_example.IMP_SAXS_HAS_BOOST_RANDOM
430 IMP_SAXS_HAS_BOOST_REGEX = _IMP_example.IMP_SAXS_HAS_BOOST_REGEX
432 IMP_SAXS_HAS_CGAL = _IMP_example.IMP_SAXS_HAS_CGAL
434 IMP_SAXS_HAS_HDF5 = _IMP_example.IMP_SAXS_HAS_HDF5
436 IMP_SAXS_HAS_NUMPY = _IMP_example.IMP_SAXS_HAS_NUMPY
438 IMP_SAXS_HAS_PYTHON_IHM = _IMP_example.IMP_SAXS_HAS_PYTHON_IHM
440 IMPSAXS_SHOW_WARNINGS = _IMP_example.IMPSAXS_SHOW_WARNINGS
443 IMP_ISD_HAS_IMP_CGAL = _IMP_example.IMP_ISD_HAS_IMP_CGAL
445 IMP_ISD_HAS_IMP_DISPLAY = _IMP_example.IMP_ISD_HAS_IMP_DISPLAY
447 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
449 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_ISD_HAS_BOOST_FILESYSTEM
451 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
453 IMP_ISD_HAS_BOOST_RANDOM = _IMP_example.IMP_ISD_HAS_BOOST_RANDOM
455 IMP_ISD_HAS_BOOST_REGEX = _IMP_example.IMP_ISD_HAS_BOOST_REGEX
457 IMP_ISD_HAS_CGAL = _IMP_example.IMP_ISD_HAS_CGAL
459 IMP_ISD_HAS_HDF5 = _IMP_example.IMP_ISD_HAS_HDF5
461 IMP_ISD_HAS_NUMPY = _IMP_example.IMP_ISD_HAS_NUMPY
463 IMP_ISD_HAS_PYTHON_IHM = _IMP_example.IMP_ISD_HAS_PYTHON_IHM
465 IMPISD_SHOW_WARNINGS = _IMP_example.IMPISD_SHOW_WARNINGS
468 IMP_RMF_HAS_IMP_CGAL = _IMP_example.IMP_RMF_HAS_IMP_CGAL
470 IMP_RMF_HAS_IMP_EM = _IMP_example.IMP_RMF_HAS_IMP_EM
472 IMP_RMF_HAS_IMP_SAXS = _IMP_example.IMP_RMF_HAS_IMP_SAXS
474 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
476 IMP_RMF_HAS_IMP_STATISTICS = _IMP_example.IMP_RMF_HAS_IMP_STATISTICS
478 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_RMF_HAS_BOOST_FILESYSTEM
480 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
482 IMP_RMF_HAS_BOOST_RANDOM = _IMP_example.IMP_RMF_HAS_BOOST_RANDOM
484 IMP_RMF_HAS_BOOST_REGEX = _IMP_example.IMP_RMF_HAS_BOOST_REGEX
486 IMP_RMF_HAS_CGAL = _IMP_example.IMP_RMF_HAS_CGAL
488 IMP_RMF_HAS_HDF5 = _IMP_example.IMP_RMF_HAS_HDF5
490 IMP_RMF_HAS_NUMPY = _IMP_example.IMP_RMF_HAS_NUMPY
492 IMP_RMF_HAS_PYTHON_IHM = _IMP_example.IMP_RMF_HAS_PYTHON_IHM
494 IMPRMF_SHOW_WARNINGS = _IMP_example.IMPRMF_SHOW_WARNINGS
498 IMP_DOMINO_HAS_IMP_ATOM = _IMP_example.IMP_DOMINO_HAS_IMP_ATOM
500 IMP_DOMINO_HAS_IMP_CGAL = _IMP_example.IMP_DOMINO_HAS_IMP_CGAL
502 IMP_DOMINO_HAS_IMP_EM = _IMP_example.IMP_DOMINO_HAS_IMP_EM
504 IMP_DOMINO_HAS_IMP_ISD = _IMP_example.IMP_DOMINO_HAS_IMP_ISD
506 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_example.IMP_DOMINO_HAS_IMP_KERNEL
508 IMP_DOMINO_HAS_IMP_RMF = _IMP_example.IMP_DOMINO_HAS_IMP_RMF
510 IMP_DOMINO_HAS_IMP_SAXS = _IMP_example.IMP_DOMINO_HAS_IMP_SAXS
512 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
514 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_DOMINO_HAS_BOOST_FILESYSTEM
516 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
518 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_example.IMP_DOMINO_HAS_BOOST_RANDOM
520 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_example.IMP_DOMINO_HAS_BOOST_REGEX
522 IMP_DOMINO_HAS_CGAL = _IMP_example.IMP_DOMINO_HAS_CGAL
524 IMP_DOMINO_HAS_HDF5 = _IMP_example.IMP_DOMINO_HAS_HDF5
526 IMP_DOMINO_HAS_NUMPY = _IMP_example.IMP_DOMINO_HAS_NUMPY
528 IMP_DOMINO_HAS_RMF = _IMP_example.IMP_DOMINO_HAS_RMF
530 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_example.IMP_DOMINO_HAS_PYTHON_IHM
532 IMPDOMINO_SHOW_WARNINGS = _IMP_example.IMPDOMINO_SHOW_WARNINGS
536 IMP_EXAMPLE_HAS_IMP_ALGEBRA = _IMP_example.IMP_EXAMPLE_HAS_IMP_ALGEBRA
538 IMP_EXAMPLE_HAS_IMP_CGAL = _IMP_example.IMP_EXAMPLE_HAS_IMP_CGAL
540 IMP_EXAMPLE_HAS_IMP_DISPLAY = _IMP_example.IMP_EXAMPLE_HAS_IMP_DISPLAY
542 IMP_EXAMPLE_HAS_IMP_EM = _IMP_example.IMP_EXAMPLE_HAS_IMP_EM
544 IMP_EXAMPLE_HAS_IMP_ISD = _IMP_example.IMP_EXAMPLE_HAS_IMP_ISD
546 IMP_EXAMPLE_HAS_IMP_KERNEL = _IMP_example.IMP_EXAMPLE_HAS_IMP_KERNEL
548 IMP_EXAMPLE_HAS_IMP_RMF = _IMP_example.IMP_EXAMPLE_HAS_IMP_RMF
550 IMP_EXAMPLE_HAS_IMP_SAXS = _IMP_example.IMP_EXAMPLE_HAS_IMP_SAXS
552 IMP_EXAMPLE_HAS_IMP_SCORE_FUNCTOR = _IMP_example.IMP_EXAMPLE_HAS_IMP_SCORE_FUNCTOR
554 IMP_EXAMPLE_HAS_IMP_STATISTICS = _IMP_example.IMP_EXAMPLE_HAS_IMP_STATISTICS
556 IMP_EXAMPLE_HAS_BOOST_FILESYSTEM = _IMP_example.IMP_EXAMPLE_HAS_BOOST_FILESYSTEM
558 IMP_EXAMPLE_HAS_BOOST_GRAPH = _IMP_example.IMP_EXAMPLE_HAS_BOOST_GRAPH
560 IMP_EXAMPLE_HAS_BOOST_PROGRAMOPTIONS = _IMP_example.IMP_EXAMPLE_HAS_BOOST_PROGRAMOPTIONS
562 IMP_EXAMPLE_HAS_BOOST_RANDOM = _IMP_example.IMP_EXAMPLE_HAS_BOOST_RANDOM
564 IMP_EXAMPLE_HAS_BOOST_REGEX = _IMP_example.IMP_EXAMPLE_HAS_BOOST_REGEX
566 IMP_EXAMPLE_HAS_CGAL = _IMP_example.IMP_EXAMPLE_HAS_CGAL
568 IMP_EXAMPLE_HAS_HDF5 = _IMP_example.IMP_EXAMPLE_HAS_HDF5
570 IMP_EXAMPLE_HAS_NUMPY = _IMP_example.IMP_EXAMPLE_HAS_NUMPY
572 IMP_EXAMPLE_HAS_RMF = _IMP_example.IMP_EXAMPLE_HAS_RMF
574 IMP_EXAMPLE_HAS_PYTHON_IHM = _IMP_example.IMP_EXAMPLE_HAS_PYTHON_IHM
576 IMP_EXAMPLE_HAS_EXAMPLEDEPENDENCY = _IMP_example.IMP_EXAMPLE_HAS_EXAMPLEDEPENDENCY
578 IMPEXAMPLE_SHOW_WARNINGS = _IMP_example.IMPEXAMPLE_SHOW_WARNINGS
581 _object_types.append(
"ExampleRestraint")
584 def _object_cast_to_ExampleRestraint(o):
585 r"""_object_cast_to_ExampleRestraint(Object o) -> ExampleRestraint"""
586 return _IMP_example._object_cast_to_ExampleRestraint(o)
588 def ExampleDecorators(l=[]):
589 return [ExampleDecorator(x)
for x
in l]
590 _plural_types.append(
"ExampleDecorators")
593 _value_types.append(
"ExampleDecorator")
596 _object_types.append(
"ExampleUnaryFunction")
599 def _object_cast_to_ExampleUnaryFunction(o):
600 r"""_object_cast_to_ExampleUnaryFunction(Object o) -> ExampleUnaryFunction"""
601 return _IMP_example._object_cast_to_ExampleUnaryFunction(o)
603 _object_types.append(
"ExampleSingletonModifier")
606 def _object_cast_to_ExampleSingletonModifier(o):
607 r"""_object_cast_to_ExampleSingletonModifier(Object o) -> ExampleSingletonModifier"""
608 return _IMP_example._object_cast_to_ExampleSingletonModifier(o)
610 _object_types.append(
"ExamplePairScore")
613 def _object_cast_to_ExamplePairScore(o):
614 r"""_object_cast_to_ExamplePairScore(Object o) -> ExamplePairScore"""
615 return _IMP_example._object_cast_to_ExamplePairScore(o)
617 _object_types.append(
"ExampleSubsetFilterTable")
620 def _object_cast_to_ExampleSubsetFilterTable(o):
621 r"""_object_cast_to_ExampleSubsetFilterTable(Object o) -> ExampleSubsetFilterTable"""
622 return _IMP_example._object_cast_to_ExampleSubsetFilterTable(o)
624 _object_types.append(
"ExampleConstraint")
627 def _object_cast_to_ExampleConstraint(o):
628 r"""_object_cast_to_ExampleConstraint(Object o) -> ExampleConstraint"""
629 return _IMP_example._object_cast_to_ExampleConstraint(o)
631 _object_types.append(
"ExampleObject")
634 def _object_cast_to_ExampleObject(o):
635 r"""_object_cast_to_ExampleObject(Object o) -> ExampleObject"""
636 return _IMP_example._object_cast_to_ExampleObject(o)
638 ExampleTemplateClass3Ds=list
639 _plural_types.append(
"ExampleTemplateClass3Ds")
640 _value_types.append(
"ExampleTemplateClass3D")
643 def create_model_and_particles():
647 IMP.algebra.Vector3D(10,10,10))
648 for i
in range(0,100):
649 p = m.add_particle(
"p")
653 d.set_coordinates_are_optimized(
True)
659 """An example restraint written in Python.
660 This should be functionally equivalent to the C++ ExampleRestraint.
662 def __init__(self, m, p, k):
663 super().__init__(m,
"PythonExampleRestraint%1%")
664 self.p, self.k = p, k
667 """Pure Python implementation of the restraint"""
669 score = .5 * self.k * d.get_z() * d.get_z()
670 if sa.get_derivative_accumulator():
671 deriv = self.k * d.get_z()
672 d.add_to_derivative(2, deriv, sa.get_derivative_accumulator())
676 """Implementation of the restraint using JAX"""
678 def jax_restraint(X, k, pi):
680 return 0.5 * k * xyz[2] * xyz[2]
681 f = functools.partial(jax_restraint, k=self.k, pi=self.p)
682 return self._wrap_jax(f)
685 return [self.
get_model().get_particle(self.p)]
691 """An example PairScore written in Python.
692 This should be functionally equivalent to the C++ ExamplePairScore.
694 def __init__(self, x0, k):
696 self.x0, self.k = x0, k
699 """Pure Python implementation of the score"""
702 diff = (d0.get_coordinates()
703 - d1.get_coordinates()).get_magnitude() - self.x0
704 score = .5 * self.k * diff * diff
707 delta = d0.get_coordinates() - d1.get_coordinates()
708 udelta = delta.get_unit_vector()
710 d0.add_to_derivatives(udelta * dv, da)
711 d1.add_to_derivatives(-udelta * dv, da)
721 """An example UnaryFunction written in Python.
722 This should be functionally equivalent to the C++ ExampleUnaryFunction.
724 def __init__(self, center, k):
726 self.center, self.k = center, k
729 return (self.
evaluate(feature), self.k * (feature - self.center))
732 return .5 * self.k * (feature - self.center) * (feature - self.center)
738 """An example Constraint written in Python.
739 This should be functionally equivalent to the C++ ExampleConstraint.
744 def __init__(self, p):
745 super().__init__(p.get_model(),
"ExampleConstraint%1%")
748 PythonExampleConstraint.k =
IMP.IntKey(
"Constraint key")
749 if not p.has_attribute(self.k):
750 p.add_attribute(self.k, 0)
752 def do_update_attributes(self):
753 self.p.set_value(self.k, self.p.get_value(self.k) + 1)
755 def do_update_derivatives(self, da):
768 """An example SingletonModifier written in Python.
769 This should be functionally equivalent to the C++
770 ExampleSingletonModifier.
773 def __init__(self, bb):
774 super().__init__(
"ExampleSingletonModifier%1%")
781 while d.get_coordinate(i) < self.bb.get_corner(0)[i]:
782 d.set_coordinate(i,d.get_coordinate(i) + \
783 (self.bb.get_corner(1)[i] - self.bb.get_corner(0)[i]))
784 while d.get_coordinate(i) > self.bb.get_corner(1)[i]:
785 d.set_coordinate(i,d.get_coordinate(i) - \
786 (self.bb.get_corner(1)[i] - self.bb.get_corner(0)[i]))
796 r"""Proxy of C++ IMP::example::ExampleRestraint class."""
798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
800 def __init__(self, *args):
802 __init__(ExampleRestraint self, Model m, ParticleIndex p, double k) -> ExampleRestraint
803 __init__(ExampleRestraint self) -> ExampleRestraint
805 _IMP_example.ExampleRestraint_swiginit(self, _IMP_example.new_ExampleRestraint(*args))
807 def get_force_constant(self):
808 r"""get_force_constant(ExampleRestraint self) -> double"""
809 return _IMP_example.ExampleRestraint_get_force_constant(self)
812 r"""get_index(ExampleRestraint self) -> ParticleIndex"""
813 return _IMP_example.ExampleRestraint_get_index(self)
815 def do_add_score_and_derivatives(self, sa):
816 r"""do_add_score_and_derivatives(ExampleRestraint self, ScoreAccumulator sa)"""
817 return _IMP_example.ExampleRestraint_do_add_score_and_derivatives(self, sa)
820 r"""do_get_inputs(ExampleRestraint self) -> IMP::ModelObjectsTemp"""
821 return _IMP_example.ExampleRestraint_do_get_inputs(self)
824 r"""get_version_info(ExampleRestraint self) -> VersionInfo"""
825 return _IMP_example.ExampleRestraint_get_version_info(self)
826 __swig_destroy__ = _IMP_example.delete_ExampleRestraint
829 r"""__str__(ExampleRestraint self) -> std::string"""
830 return _IMP_example.ExampleRestraint___str__(self)
833 r"""__repr__(ExampleRestraint self) -> std::string"""
834 return _IMP_example.ExampleRestraint___repr__(self)
838 return _object_cast_to_ExampleRestraint(o)
841 def _get_as_binary(self):
842 r"""_get_as_binary(ExampleRestraint self) -> PyObject *"""
843 return _IMP_example.ExampleRestraint__get_as_binary(self)
845 def _set_from_binary(self, p):
846 r"""_set_from_binary(ExampleRestraint self, PyObject * p)"""
847 return _IMP_example.ExampleRestraint__set_from_binary(self, p)
849 def __getstate__(self):
850 p = self._get_as_binary()
851 if len(self.__dict__) > 1:
852 d = self.__dict__.copy()
857 def __setstate__(self, p):
858 if not hasattr(self,
'this'):
860 if isinstance(p, tuple):
862 self.__dict__.update(d)
863 return self._set_from_binary(p)
867 """Implementation of the restraint using JAX.
868 For a Restraint, we must return a single JAX function which
869 takes a single argument, the JAX Model, and returns its score.
870 The JAX Model (here called `jm`) is a JAX object which contains
871 the same information as the IMP Model, as a simple Python dict.
872 For example, jm['xyz'] is an N x 3 array of XYZ coordinates."""
873 def jax_restraint(jm, k, pi):
878 return 0.5 * k * xyz[2] * xyz[2]
882 f = functools.partial(jax_restraint, k=self.get_force_constant(),
887 return self._wrap_jax(f)
891 _IMP_example.ExampleRestraint_swigregister(ExampleRestraint)
893 r"""Proxy of C++ IMP::example::ExampleDecorator class."""
895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
897 def get_decorator_name(self):
898 r"""get_decorator_name(ExampleDecorator self) -> std::string"""
899 return _IMP_example.ExampleDecorator_get_decorator_name(self)
901 def set_decorator_name(self, nm):
902 r"""set_decorator_name(ExampleDecorator self, std::string nm)"""
903 return _IMP_example.ExampleDecorator_set_decorator_name(self, nm)
905 def __init__(self, *args):
907 __init__(ExampleDecorator self) -> ExampleDecorator
908 __init__(ExampleDecorator self, Model m, ParticleIndex id) -> ExampleDecorator
909 __init__(ExampleDecorator self, _ParticleAdaptor d) -> ExampleDecorator
911 _IMP_example.ExampleDecorator_swiginit(self, _IMP_example.new_ExampleDecorator(*args))
914 def get_is_setup(*args):
916 get_is_setup(Model m, ParticleIndex pi) -> bool
917 get_is_setup(_ParticleAdaptor p) -> bool
919 return _IMP_example.ExampleDecorator_get_is_setup(*args)
921 def show(self, *args):
922 r"""show(ExampleDecorator self, _ostream out=std::cout)"""
923 return _IMP_example.ExampleDecorator_show(self, *args)
926 def setup_particle(*args):
928 setup_particle(Model m, ParticleIndex pi, std::string name) -> ExampleDecorator
929 setup_particle(_ParticleAdaptor pa, std::string name) -> ExampleDecorator
931 return _IMP_example.ExampleDecorator_setup_particle(*args)
933 def add_attribute(self, *args):
935 add_attribute(ExampleDecorator self, FloatKey k, IMP::Float v, bool opt)
936 add_attribute(ExampleDecorator self, FloatKey a0, IMP::Float a1)
937 add_attribute(ExampleDecorator self, IntKey a0, IMP::Int a1)
938 add_attribute(ExampleDecorator self, FloatsKey a0, IMP::Floats a1)
939 add_attribute(ExampleDecorator self, IntsKey a0, IMP::Ints a1)
940 add_attribute(ExampleDecorator self, StringKey a0, IMP::String a1)
941 add_attribute(ExampleDecorator self, ParticleIndexKey a0, Particle a1)
942 add_attribute(ExampleDecorator self, ObjectKey a0, Object a1)
943 add_attribute(ExampleDecorator self, SparseFloatKey a0, IMP::Float a1)
944 add_attribute(ExampleDecorator self, SparseIntKey a0, IMP::Int a1)
945 add_attribute(ExampleDecorator self, SparseStringKey a0, IMP::String a1)
946 add_attribute(ExampleDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
948 return _IMP_example.ExampleDecorator_add_attribute(self, *args)
950 def get_value(self, *args):
952 get_value(ExampleDecorator self, FloatKey a0) -> IMP::Float
953 get_value(ExampleDecorator self, IntKey a0) -> IMP::Int
954 get_value(ExampleDecorator self, FloatsKey a0) -> IMP::Floats
955 get_value(ExampleDecorator self, IntsKey a0) -> IMP::Ints
956 get_value(ExampleDecorator self, StringKey a0) -> IMP::String
957 get_value(ExampleDecorator self, ParticleIndexKey a0) -> Particle
958 get_value(ExampleDecorator self, ObjectKey a0) -> Object
959 get_value(ExampleDecorator self, SparseFloatKey a0) -> IMP::Float
960 get_value(ExampleDecorator self, SparseIntKey a0) -> IMP::Int
961 get_value(ExampleDecorator self, SparseStringKey a0) -> IMP::String
962 get_value(ExampleDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
964 return _IMP_example.ExampleDecorator_get_value(self, *args)
966 def set_value(self, *args):
968 set_value(ExampleDecorator self, FloatKey a0, IMP::Float a1)
969 set_value(ExampleDecorator self, IntKey a0, IMP::Int a1)
970 set_value(ExampleDecorator self, FloatsKey a0, IMP::Floats a1)
971 set_value(ExampleDecorator self, IntsKey a0, IMP::Ints a1)
972 set_value(ExampleDecorator self, StringKey a0, IMP::String a1)
973 set_value(ExampleDecorator self, ParticleIndexKey a0, Particle a1)
974 set_value(ExampleDecorator self, ObjectKey a0, Object a1)
975 set_value(ExampleDecorator self, SparseFloatKey a0, IMP::Float a1)
976 set_value(ExampleDecorator self, SparseIntKey a0, IMP::Int a1)
977 set_value(ExampleDecorator self, SparseStringKey a0, IMP::String a1)
978 set_value(ExampleDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
980 return _IMP_example.ExampleDecorator_set_value(self, *args)
982 def remove_attribute(self, *args):
984 remove_attribute(ExampleDecorator self, FloatKey a0)
985 remove_attribute(ExampleDecorator self, IntKey a0)
986 remove_attribute(ExampleDecorator self, FloatsKey a0)
987 remove_attribute(ExampleDecorator self, IntsKey a0)
988 remove_attribute(ExampleDecorator self, StringKey a0)
989 remove_attribute(ExampleDecorator self, ParticleIndexKey a0)
990 remove_attribute(ExampleDecorator self, ObjectKey a0)
991 remove_attribute(ExampleDecorator self, SparseFloatKey a0)
992 remove_attribute(ExampleDecorator self, SparseIntKey a0)
993 remove_attribute(ExampleDecorator self, SparseStringKey a0)
994 remove_attribute(ExampleDecorator self, SparseParticleIndexKey a0)
996 return _IMP_example.ExampleDecorator_remove_attribute(self, *args)
998 def has_attribute(self, *args):
1000 has_attribute(ExampleDecorator self, FloatKey a0) -> bool
1001 has_attribute(ExampleDecorator self, IntKey a0) -> bool
1002 has_attribute(ExampleDecorator self, FloatsKey a0) -> bool
1003 has_attribute(ExampleDecorator self, IntsKey a0) -> bool
1004 has_attribute(ExampleDecorator self, StringKey a0) -> bool
1005 has_attribute(ExampleDecorator self, ParticleIndexKey a0) -> bool
1006 has_attribute(ExampleDecorator self, ObjectKey a0) -> bool
1007 has_attribute(ExampleDecorator self, SparseFloatKey a0) -> bool
1008 has_attribute(ExampleDecorator self, SparseIntKey a0) -> bool
1009 has_attribute(ExampleDecorator self, SparseStringKey a0) -> bool
1010 has_attribute(ExampleDecorator self, SparseParticleIndexKey a0) -> bool
1012 return _IMP_example.ExampleDecorator_has_attribute(self, *args)
1014 def get_derivative(self, a0):
1015 r"""get_derivative(ExampleDecorator self, FloatKey a0) -> double"""
1016 return _IMP_example.ExampleDecorator_get_derivative(self, a0)
1019 r"""get_name(ExampleDecorator self) -> std::string"""
1020 return _IMP_example.ExampleDecorator_get_name(self)
1023 r"""clear_caches(ExampleDecorator self)"""
1024 return _IMP_example.ExampleDecorator_clear_caches(self)
1026 def set_name(self, a0):
1027 r"""set_name(ExampleDecorator self, std::string a0)"""
1028 return _IMP_example.ExampleDecorator_set_name(self, a0)
1031 r"""set_check_level(ExampleDecorator self, IMP::CheckLevel a0)"""
1032 return _IMP_example.ExampleDecorator_set_check_level(self, a0)
1034 def add_to_derivative(self, a0, a1, a2):
1035 r"""add_to_derivative(ExampleDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1036 return _IMP_example.ExampleDecorator_add_to_derivative(self, a0, a1, a2)
1038 def set_is_optimized(self, a0, a1):
1039 r"""set_is_optimized(ExampleDecorator self, FloatKey a0, bool a1)"""
1040 return _IMP_example.ExampleDecorator_set_is_optimized(self, a0, a1)
1042 def get_is_optimized(self, a0):
1043 r"""get_is_optimized(ExampleDecorator self, FloatKey a0) -> bool"""
1044 return _IMP_example.ExampleDecorator_get_is_optimized(self, a0)
1046 def get_check_level(self):
1047 r"""get_check_level(ExampleDecorator self) -> IMP::CheckLevel"""
1048 return _IMP_example.ExampleDecorator_get_check_level(self)
1050 def __eq__(self, *args):
1052 __eq__(ExampleDecorator self, ExampleDecorator o) -> bool
1053 __eq__(ExampleDecorator self, Particle d) -> bool
1055 return _IMP_example.ExampleDecorator___eq__(self, *args)
1057 def __ne__(self, *args):
1059 __ne__(ExampleDecorator self, ExampleDecorator o) -> bool
1060 __ne__(ExampleDecorator self, Particle d) -> bool
1062 return _IMP_example.ExampleDecorator___ne__(self, *args)
1064 def __le__(self, *args):
1066 __le__(ExampleDecorator self, ExampleDecorator o) -> bool
1067 __le__(ExampleDecorator self, Particle d) -> bool
1069 return _IMP_example.ExampleDecorator___le__(self, *args)
1071 def __lt__(self, *args):
1073 __lt__(ExampleDecorator self, ExampleDecorator o) -> bool
1074 __lt__(ExampleDecorator self, Particle d) -> bool
1076 return _IMP_example.ExampleDecorator___lt__(self, *args)
1078 def __ge__(self, *args):
1080 __ge__(ExampleDecorator self, ExampleDecorator o) -> bool
1081 __ge__(ExampleDecorator self, Particle d) -> bool
1083 return _IMP_example.ExampleDecorator___ge__(self, *args)
1085 def __gt__(self, *args):
1087 __gt__(ExampleDecorator self, ExampleDecorator o) -> bool
1088 __gt__(ExampleDecorator self, Particle d) -> bool
1090 return _IMP_example.ExampleDecorator___gt__(self, *args)
1093 r"""__hash__(ExampleDecorator self) -> std::size_t"""
1094 return _IMP_example.ExampleDecorator___hash__(self)
1097 r"""__str__(ExampleDecorator self) -> std::string"""
1098 return _IMP_example.ExampleDecorator___str__(self)
1101 r"""__repr__(ExampleDecorator self) -> std::string"""
1102 return _IMP_example.ExampleDecorator___repr__(self)
1104 def _get_as_binary(self):
1105 r"""_get_as_binary(ExampleDecorator self) -> PyObject *"""
1106 return _IMP_example.ExampleDecorator__get_as_binary(self)
1108 def _set_from_binary(self, p):
1109 r"""_set_from_binary(ExampleDecorator self, PyObject * p)"""
1110 return _IMP_example.ExampleDecorator__set_from_binary(self, p)
1112 def __getstate__(self):
1113 p = self._get_as_binary()
1114 if len(self.__dict__) > 1:
1115 d = self.__dict__.copy()
1120 def __setstate__(self, p):
1121 if not hasattr(self,
'this'):
1123 if isinstance(p, tuple):
1125 self.__dict__.update(d)
1126 return self._set_from_binary(p)
1128 __swig_destroy__ = _IMP_example.delete_ExampleDecorator
1131 _IMP_example.ExampleDecorator_swigregister(ExampleDecorator)
1133 def __lshift__(out, n):
1134 r"""__lshift__(_ostream out, ExampleDecorator n) -> _ostream"""
1135 return _IMP_example.__lshift__(out, n)
1137 r"""Proxy of C++ IMP::example::ExampleUnaryFunction class."""
1139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1141 def __init__(self, *args):
1143 __init__(ExampleUnaryFunction self, IMP::Float center, IMP::Float k) -> ExampleUnaryFunction
1144 __init__(ExampleUnaryFunction self) -> ExampleUnaryFunction
1146 _IMP_example.ExampleUnaryFunction_swiginit(self, _IMP_example.new_ExampleUnaryFunction(*args))
1148 def get_center(self):
1149 r"""get_center(ExampleUnaryFunction self) -> IMP::Float"""
1150 return _IMP_example.ExampleUnaryFunction_get_center(self)
1152 def get_force_constant(self):
1153 r"""get_force_constant(ExampleUnaryFunction self) -> IMP::Float"""
1154 return _IMP_example.ExampleUnaryFunction_get_force_constant(self)
1157 r"""get_version_info(ExampleUnaryFunction self) -> VersionInfo"""
1158 return _IMP_example.ExampleUnaryFunction_get_version_info(self)
1159 __swig_destroy__ = _IMP_example.delete_ExampleUnaryFunction
1162 r"""__str__(ExampleUnaryFunction self) -> std::string"""
1163 return _IMP_example.ExampleUnaryFunction___str__(self)
1166 r"""__repr__(ExampleUnaryFunction self) -> std::string"""
1167 return _IMP_example.ExampleUnaryFunction___repr__(self)
1171 return _object_cast_to_ExampleUnaryFunction(o)
1174 def _get_as_binary(self):
1175 r"""_get_as_binary(ExampleUnaryFunction self) -> PyObject *"""
1176 return _IMP_example.ExampleUnaryFunction__get_as_binary(self)
1178 def _set_from_binary(self, p):
1179 r"""_set_from_binary(ExampleUnaryFunction self, PyObject * p)"""
1180 return _IMP_example.ExampleUnaryFunction__set_from_binary(self, p)
1182 def __getstate__(self):
1183 p = self._get_as_binary()
1184 if len(self.__dict__) > 1:
1185 d = self.__dict__.copy()
1190 def __setstate__(self, p):
1191 if not hasattr(self,
'this'):
1193 if isinstance(p, tuple):
1195 self.__dict__.update(d)
1196 return self._set_from_binary(p)
1200 """Implementation of the unary function using JAX.
1201 This takes the feature value to act on, and returns a score.
1202 Unlike an IMP C++ UnaryFunction (which takes a single feature),
1203 the JAX score takes multiple features, as an N-element array,
1204 and should return an N-element array of scores."""
1205 def score(feature, center, k):
1206 return 0.5 * k * (feature - center) ** 2
1207 return functools.partial(score, center=self.get_center(),
1208 k=self.get_force_constant())
1212 _IMP_example.ExampleUnaryFunction_swigregister(ExampleUnaryFunction)
1214 r"""Proxy of C++ IMP::example::ExampleObject class."""
1216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1218 def __init__(self, *args):
1220 __init__(ExampleObject self, IMP::Floats const & data) -> ExampleObject
1221 __init__(ExampleObject self) -> ExampleObject
1223 _IMP_example.ExampleObject_swiginit(self, _IMP_example.new_ExampleObject(*args))
1225 def get_data(self, i):
1226 r"""get_data(ExampleObject self, unsigned int i) -> double"""
1227 return _IMP_example.ExampleObject_get_data(self, i)
1230 r"""get_version_info(ExampleObject self) -> VersionInfo"""
1231 return _IMP_example.ExampleObject_get_version_info(self)
1232 __swig_destroy__ = _IMP_example.delete_ExampleObject
1235 r"""__str__(ExampleObject self) -> std::string"""
1236 return _IMP_example.ExampleObject___str__(self)
1239 r"""__repr__(ExampleObject self) -> std::string"""
1240 return _IMP_example.ExampleObject___repr__(self)
1244 return _object_cast_to_ExampleObject(o)
1247 def _get_as_binary(self):
1248 r"""_get_as_binary(ExampleObject self) -> PyObject *"""
1249 return _IMP_example.ExampleObject__get_as_binary(self)
1251 def _set_from_binary(self, p):
1252 r"""_set_from_binary(ExampleObject self, PyObject * p)"""
1253 return _IMP_example.ExampleObject__set_from_binary(self, p)
1255 def __getstate__(self):
1256 p = self._get_as_binary()
1257 if len(self.__dict__) > 1:
1258 d = self.__dict__.copy()
1263 def __setstate__(self, p):
1264 if not hasattr(self,
'this'):
1266 if isinstance(p, tuple):
1268 self.__dict__.update(d)
1269 return self._set_from_binary(p)
1273 _IMP_example.ExampleObject_swigregister(ExampleObject)
1275 r"""Proxy of C++ IMP::example::ExampleSingletonModifier class."""
1277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1279 def __init__(self, *args):
1281 __init__(ExampleSingletonModifier self, BoundingBox3D bb) -> ExampleSingletonModifier
1282 __init__(ExampleSingletonModifier self) -> ExampleSingletonModifier
1284 _IMP_example.ExampleSingletonModifier_swiginit(self, _IMP_example.new_ExampleSingletonModifier(*args))
1286 def get_bounding_box(self):
1287 r"""get_bounding_box(ExampleSingletonModifier self) -> BoundingBox3D"""
1288 return _IMP_example.ExampleSingletonModifier_get_bounding_box(self)
1291 r"""do_get_inputs(ExampleSingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1292 return _IMP_example.ExampleSingletonModifier_do_get_inputs(self, m, pis)
1295 r"""do_get_outputs(ExampleSingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1296 return _IMP_example.ExampleSingletonModifier_do_get_outputs(self, m, pis)
1299 r"""get_version_info(ExampleSingletonModifier self) -> VersionInfo"""
1300 return _IMP_example.ExampleSingletonModifier_get_version_info(self)
1301 __swig_destroy__ = _IMP_example.delete_ExampleSingletonModifier
1304 r"""__str__(ExampleSingletonModifier self) -> std::string"""
1305 return _IMP_example.ExampleSingletonModifier___str__(self)
1308 r"""__repr__(ExampleSingletonModifier self) -> std::string"""
1309 return _IMP_example.ExampleSingletonModifier___repr__(self)
1313 return _object_cast_to_ExampleSingletonModifier(o)
1316 def _get_as_binary(self):
1317 r"""_get_as_binary(ExampleSingletonModifier self) -> PyObject *"""
1318 return _IMP_example.ExampleSingletonModifier__get_as_binary(self)
1320 def _set_from_binary(self, p):
1321 r"""_set_from_binary(ExampleSingletonModifier self, PyObject * p)"""
1322 return _IMP_example.ExampleSingletonModifier__set_from_binary(self, p)
1324 def __getstate__(self):
1325 p = self._get_as_binary()
1326 if len(self.__dict__) > 1:
1327 d = self.__dict__.copy()
1332 def __setstate__(self, p):
1333 if not hasattr(self,
'this'):
1335 if isinstance(p, tuple):
1337 self.__dict__.update(d)
1338 return self._set_from_binary(p)
1341 def _get_jax(self, m, indexes):
1342 """Implementation of the modifier using JAX"""
1343 import jax.numpy
as jnp
1344 def apply_func(jm, box):
1345 jm[
'xyz'] = jm[
'xyz'].at[indexes].set(
1346 jnp.mod(jm[
'xyz'][indexes] - box[0], box[1] - box[0]) + box[0])
1348 box = jnp.array([self.get_bounding_box().get_corner(x)
1350 return self._wrap_jax(
1351 functools.partial(apply_func, box=box))
1355 _IMP_example.ExampleSingletonModifier_swigregister(ExampleSingletonModifier)
1357 r"""Proxy of C++ IMP::example::ExamplePairScore class."""
1359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1361 def __init__(self, *args):
1363 __init__(ExamplePairScore self, double x0, double k) -> ExamplePairScore
1364 __init__(ExamplePairScore self) -> ExamplePairScore
1366 _IMP_example.ExamplePairScore_swiginit(self, _IMP_example.new_ExamplePairScore(*args))
1369 r"""get_mean(ExamplePairScore self) -> double"""
1370 return _IMP_example.ExamplePairScore_get_mean(self)
1372 def get_force_constant(self):
1373 r"""get_force_constant(ExamplePairScore self) -> double"""
1374 return _IMP_example.ExamplePairScore_get_force_constant(self)
1377 r"""do_get_inputs(ExamplePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1378 return _IMP_example.ExamplePairScore_do_get_inputs(self, m, pis)
1380 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1381 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"""
1382 return _IMP_example.ExamplePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1384 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1385 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"""
1386 return _IMP_example.ExamplePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1388 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1389 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"""
1390 return _IMP_example.ExamplePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1392 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1393 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"""
1394 return _IMP_example.ExamplePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1397 r"""get_version_info(ExamplePairScore self) -> VersionInfo"""
1398 return _IMP_example.ExamplePairScore_get_version_info(self)
1399 __swig_destroy__ = _IMP_example.delete_ExamplePairScore
1402 r"""__str__(ExamplePairScore self) -> std::string"""
1403 return _IMP_example.ExamplePairScore___str__(self)
1406 r"""__repr__(ExamplePairScore self) -> std::string"""
1407 return _IMP_example.ExamplePairScore___repr__(self)
1411 return _object_cast_to_ExamplePairScore(o)
1414 def _get_as_binary(self):
1415 r"""_get_as_binary(ExamplePairScore self) -> PyObject *"""
1416 return _IMP_example.ExamplePairScore__get_as_binary(self)
1418 def _set_from_binary(self, p):
1419 r"""_set_from_binary(ExamplePairScore self, PyObject * p)"""
1420 return _IMP_example.ExamplePairScore__set_from_binary(self, p)
1422 def __getstate__(self):
1423 p = self._get_as_binary()
1424 if len(self.__dict__) > 1:
1425 d = self.__dict__.copy()
1430 def __setstate__(self, p):
1431 if not hasattr(self,
'this'):
1433 if isinstance(p, tuple):
1435 self.__dict__.update(d)
1436 return self._set_from_binary(p)
1439 def _get_jax(self, m, indexes, space):
1440 """Implementation of the score using JAX.
1441 A PairScore takes as input the JAX Model, and returns the score
1442 for a given set of particle pair indexes. Unlike an IMP C++
1443 PairScore (which takes a single pair of indexes), the JAX score
1444 takes multiple indexes, as an Nx2 array, and should return an
1445 N-element array of scores."""
1446 import jax.numpy
as jnp
1447 def pair_score(jm, x0, k):
1448 xyzs = jm[
'xyz'][indexes]
1449 diff = space.distance(xyzs[:,0] - xyzs[:,1]) - x0
1450 return 0.5 * k * diff * diff
1451 f = functools.partial(pair_score, x0=self.get_mean(),
1452 k=self.get_force_constant())
1453 return self._wrap_jax(m, f)
1457 _IMP_example.ExamplePairScore_swigregister(ExamplePairScore)
1459 r"""Proxy of C++ IMP::example::ExampleSubsetFilterTable class."""
1461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1463 def __init__(self, max_diff, pt):
1464 r"""__init__(ExampleSubsetFilterTable self, unsigned int max_diff, IMP::ParticlesTemp const & pt) -> ExampleSubsetFilterTable"""
1465 _IMP_example.ExampleSubsetFilterTable_swiginit(self, _IMP_example.new_ExampleSubsetFilterTable(max_diff, pt))
1468 r"""get_version_info(ExampleSubsetFilterTable self) -> VersionInfo"""
1469 return _IMP_example.ExampleSubsetFilterTable_get_version_info(self)
1470 __swig_destroy__ = _IMP_example.delete_ExampleSubsetFilterTable
1473 r"""__str__(ExampleSubsetFilterTable self) -> std::string"""
1474 return _IMP_example.ExampleSubsetFilterTable___str__(self)
1477 r"""__repr__(ExampleSubsetFilterTable self) -> std::string"""
1478 return _IMP_example.ExampleSubsetFilterTable___repr__(self)
1482 return _object_cast_to_ExampleSubsetFilterTable(o)
1486 _IMP_example.ExampleSubsetFilterTable_swigregister(ExampleSubsetFilterTable)
1488 r"""Proxy of C++ IMP::example::ExampleConstraint class."""
1490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1492 def __init__(self, *args):
1494 __init__(ExampleConstraint self, Particle p) -> ExampleConstraint
1495 __init__(ExampleConstraint self) -> ExampleConstraint
1497 _IMP_example.ExampleConstraint_swiginit(self, _IMP_example.new_ExampleConstraint(*args))
1500 r"""get_index(ExampleConstraint self) -> ParticleIndex"""
1501 return _IMP_example.ExampleConstraint_get_index(self)
1504 r"""do_get_inputs(ExampleConstraint self) -> IMP::ModelObjectsTemp"""
1505 return _IMP_example.ExampleConstraint_do_get_inputs(self)
1508 r"""do_get_outputs(ExampleConstraint self) -> IMP::ModelObjectsTemp"""
1509 return _IMP_example.ExampleConstraint_do_get_outputs(self)
1513 r"""get_key() -> IntKey"""
1514 return _IMP_example.ExampleConstraint_get_key()
1517 r"""get_version_info(ExampleConstraint self) -> VersionInfo"""
1518 return _IMP_example.ExampleConstraint_get_version_info(self)
1519 __swig_destroy__ = _IMP_example.delete_ExampleConstraint
1522 r"""__str__(ExampleConstraint self) -> std::string"""
1523 return _IMP_example.ExampleConstraint___str__(self)
1526 r"""__repr__(ExampleConstraint self) -> std::string"""
1527 return _IMP_example.ExampleConstraint___repr__(self)
1531 return _object_cast_to_ExampleConstraint(o)
1534 def _get_as_binary(self):
1535 r"""_get_as_binary(ExampleConstraint self) -> PyObject *"""
1536 return _IMP_example.ExampleConstraint__get_as_binary(self)
1538 def _set_from_binary(self, p):
1539 r"""_set_from_binary(ExampleConstraint self, PyObject * p)"""
1540 return _IMP_example.ExampleConstraint__set_from_binary(self, p)
1542 def __getstate__(self):
1543 p = self._get_as_binary()
1544 if len(self.__dict__) > 1:
1545 d = self.__dict__.copy()
1550 def __setstate__(self, p):
1551 if not hasattr(self,
'this'):
1553 if isinstance(p, tuple):
1555 self.__dict__.update(d)
1556 return self._set_from_binary(p)
1560 """Implementation of the constraint using JAX.
1561 Similar to a Restraint, we must return a single JAX function which
1562 takes as input a JAX Model. However, in this case the function
1563 must return a new JAX Model, with the constraint applied."""
1564 def apply_func(jm, key, index):
1569 jm[key] = jm[key].at[index].add(1)
1571 key = self.get_key()
1572 f = functools.partial(apply_func, key=key.get_string(),
1573 index=self.get_index())
1578 return self._wrap_jax(f, keys=(key,))
1582 _IMP_example.ExampleConstraint_swigregister(ExampleConstraint)
1585 r"""get_number_of_incidences(IMP::ParticlesTemp const & psa, IMP::ParticlesTemp const & psb, double point_distance) -> unsigned int"""
1586 return _IMP_example.get_number_of_incidences(psa, psb, point_distance)
1589 r"""create_chain_restraint(Model m, IMP::ParticleIndexes const & ps, double length_factor, double k, std::string name) -> Restraint"""
1590 return _IMP_example.create_chain_restraint(m, ps, length_factor, k, name)
1593 r"""create_excluded_volume(Model m, IMP::ParticleIndexes const & ps, double k, std::string name) -> Restraint"""
1594 return _IMP_example.create_excluded_volume(m, ps, k, name)
1596 r"""Proxy of C++ IMP::example::ExampleTemplateClassD< 3 > class."""
1598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1600 def __init__(self, *args):
1602 __init__(ExampleTemplateClass3D self) -> ExampleTemplateClass3D
1603 __init__(ExampleTemplateClass3D self, Vector3D a, Vector3D b) -> ExampleTemplateClass3D
1605 _IMP_example.ExampleTemplateClass3D_swiginit(self, _IMP_example.new_ExampleTemplateClass3D(*args))
1607 def get_point(self, i):
1608 r"""get_point(ExampleTemplateClass3D self, unsigned int i) -> Vector3D"""
1609 return _IMP_example.ExampleTemplateClass3D_get_point(self, i)
1611 def show(self, *args):
1612 r"""show(ExampleTemplateClass3D self, _ostream out=std::cout)"""
1613 return _IMP_example.ExampleTemplateClass3D_show(self, *args)
1616 r"""__str__(ExampleTemplateClass3D self) -> std::string"""
1617 return _IMP_example.ExampleTemplateClass3D___str__(self)
1620 r"""__repr__(ExampleTemplateClass3D self) -> std::string"""
1621 return _IMP_example.ExampleTemplateClass3D___repr__(self)
1622 __swig_destroy__ = _IMP_example.delete_ExampleTemplateClass3D
1625 _IMP_example.ExampleTemplateClass3D_swigregister(ExampleTemplateClass3D)
1627 def get_module_name():
1628 r"""get_module_name() -> std::string const"""
1629 return _IMP_example.get_module_name()
1632 r"""get_module_version() -> std::string const"""
1633 return _IMP_example.get_module_version()
1636 r"""get_example_path(std::string fname) -> std::string"""
1637 return _IMP_example.get_example_path(fname)
1640 r"""get_data_path(std::string fname) -> std::string"""
1641 return _IMP_example.get_data_path(fname)
1643 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.