17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_KERNEL_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_KERNEL_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_kernel.delete_IMP_KERNEL_SwigPyIterator
67 r"""value(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
68 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_value(self)
71 r"""incr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
72 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
76 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
84 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_KERNEL_SwigPyIterator self) -> IMP_KERNEL_SwigPyIterator"""
88 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_copy(self)
91 r"""__next__(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
92 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___next__(self)
95 r"""previous(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
96 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_previous(self)
99 r"""advance(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
100 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
104 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
108 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
112 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
116 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
120 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator
125 __sub__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___sub__(self, *args)
132 _IMP_kernel.IMP_KERNEL_SwigPyIterator_swigregister(IMP_KERNEL_SwigPyIterator)
139 IMP_DEBUG = _IMP_kernel.IMP_DEBUG
141 IMP_RELEASE = _IMP_kernel.IMP_RELEASE
143 IMP_SILENT = _IMP_kernel.IMP_SILENT
145 IMP_PROGRESS = _IMP_kernel.IMP_PROGRESS
147 IMP_TERSE = _IMP_kernel.IMP_TERSE
149 IMP_VERBOSE = _IMP_kernel.IMP_VERBOSE
151 IMP_MEMORY = _IMP_kernel.IMP_MEMORY
153 IMP_NONE = _IMP_kernel.IMP_NONE
155 IMP_USAGE = _IMP_kernel.IMP_USAGE
157 IMP_INTERNAL = _IMP_kernel.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_kernel.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_kernel.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_kernel.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_kernel.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_kernel.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_kernel.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_kernel.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_kernel.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 DEFAULT_CHECK = _IMP_kernel.DEFAULT_CHECK
212 NONE = _IMP_kernel.NONE
214 USAGE = _IMP_kernel.USAGE
216 USAGE_AND_INTERNAL = _IMP_kernel.USAGE_AND_INTERNAL
220 r"""set_check_level(IMP::CheckLevel tf)"""
221 return _IMP_kernel.set_check_level(tf)
224 r"""get_check_level() -> IMP::CheckLevel"""
225 return _IMP_kernel.get_check_level()
227 from _IMP_kernel
import Exception, InternalException, ModelException, EventException
228 from _IMP_kernel
import UsageException, IndexException, IOException, ValueException
229 from _IMP_kernel
import TypeException
231 class _ostream(object):
232 r"""Proxy of C++ std::ostream class."""
234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
236 def __init__(self, *args, **kwargs):
237 raise AttributeError(
"No constructor defined")
238 __repr__ = _swig_repr
240 def write(self, osa_buf):
241 r"""write(_ostream self, char const * osa_buf)"""
242 return _IMP_kernel._ostream_write(self, osa_buf)
245 _IMP_kernel._ostream_swigregister(_ostream)
246 IMP_C_OPEN_BINARY = _IMP_kernel.IMP_C_OPEN_BINARY
249 from .
import _list_util
252 _models_set = weakref.WeakSet()
254 def _models_set_get(m):
255 for x
in _models_set:
260 _raii_types.append(
"SetLogState")
263 _raii_types.append(
"SetNumberOfThreads")
266 _raii_types.append(
"SetCheckState")
269 _object_types.append(
"Object")
272 def _object_cast_to_Object(o):
273 r"""_object_cast_to_Object(Object * o) -> Object"""
274 return _IMP_kernel._object_cast_to_Object(o)
276 _object_types.append(
"_TestObject")
279 def _object_cast_to__TestObject(o):
280 r"""_object_cast_to__TestObject(Object * o) -> _TestObject"""
281 return _IMP_kernel._object_cast_to__TestObject(o)
284 _plural_types.append(
"VersionInfos")
285 _value_types.append(
"VersionInfo")
288 _raii_types.append(
"CreateLogContext")
291 _raii_types.append(
"WarningContext")
294 _raii_types.append(
"SetLogTarget")
298 _plural_types.append(
"_TestValues")
299 _value_types.append(
"_TestValue")
303 _plural_types.append(
"Floats")
304 _value_types.append(
"Float")
308 _plural_types.append(
"Ints")
309 _value_types.append(
"Int")
313 _plural_types.append(
"Strings")
314 _value_types.append(
"String")
318 _plural_types.append(
"_Protections")
319 _value_types.append(
"_Protection")
321 class _GeometricPrimitive1D(object):
322 r"""Proxy of C++ IMP::GeometricPrimitiveD< 1 > class."""
324 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
326 def __init__(self, *args, **kwargs):
327 raise AttributeError(
"No constructor defined")
328 __repr__ = _swig_repr
329 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive1D
332 _IMP_kernel._GeometricPrimitive1D_swigregister(_GeometricPrimitive1D)
333 class _GeometricPrimitive2D(object):
334 r"""Proxy of C++ IMP::GeometricPrimitiveD< 2 > class."""
336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
338 def __init__(self, *args, **kwargs):
339 raise AttributeError(
"No constructor defined")
340 __repr__ = _swig_repr
341 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive2D
344 _IMP_kernel._GeometricPrimitive2D_swigregister(_GeometricPrimitive2D)
345 class _GeometricPrimitive3D(object):
346 r"""Proxy of C++ IMP::GeometricPrimitiveD< 3 > class."""
348 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
350 def __init__(self, *args, **kwargs):
351 raise AttributeError(
"No constructor defined")
352 __repr__ = _swig_repr
353 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive3D
356 _IMP_kernel._GeometricPrimitive3D_swigregister(_GeometricPrimitive3D)
357 class _GeometricPrimitive4D(object):
358 r"""Proxy of C++ IMP::GeometricPrimitiveD< 4 > class."""
360 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
362 def __init__(self, *args, **kwargs):
363 raise AttributeError(
"No constructor defined")
364 __repr__ = _swig_repr
365 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive4D
368 _IMP_kernel._GeometricPrimitive4D_swigregister(_GeometricPrimitive4D)
369 class _GeometricPrimitive5D(object):
370 r"""Proxy of C++ IMP::GeometricPrimitiveD< 5 > class."""
372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
374 def __init__(self, *args, **kwargs):
375 raise AttributeError(
"No constructor defined")
376 __repr__ = _swig_repr
377 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive5D
380 _IMP_kernel._GeometricPrimitive5D_swigregister(_GeometricPrimitive5D)
381 class _GeometricPrimitive6D(object):
382 r"""Proxy of C++ IMP::GeometricPrimitiveD< 6 > class."""
384 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
386 def __init__(self, *args, **kwargs):
387 raise AttributeError(
"No constructor defined")
388 __repr__ = _swig_repr
389 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive6D
392 _IMP_kernel._GeometricPrimitive6D_swigregister(_GeometricPrimitive6D)
393 class _GeometricPrimitiveKD(object):
394 r"""Proxy of C++ IMP::GeometricPrimitiveD< -1 > class."""
396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
398 def __init__(self, *args, **kwargs):
399 raise AttributeError(
"No constructor defined")
400 __repr__ = _swig_repr
401 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitiveKD
404 _IMP_kernel._GeometricPrimitiveKD_swigregister(_GeometricPrimitiveKD)
405 class _VectorBaseKD(_GeometricPrimitiveKD):
406 r"""Proxy of C++ IMP::internal::VectorBaseD< -1 > class."""
408 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
409 __repr__ = _swig_repr
412 r"""__init__(_VectorBaseKD self) -> _VectorBaseKD"""
413 _IMP_kernel._VectorBaseKD_swiginit(self, _IMP_kernel.new__VectorBaseKD())
415 def get_scalar_product(self, o):
416 r"""get_scalar_product(_VectorBaseKD self, _VectorBaseKD o) -> double"""
417 return _IMP_kernel._VectorBaseKD_get_scalar_product(self, o)
419 def get_squared_magnitude(self):
420 r"""get_squared_magnitude(_VectorBaseKD self) -> double"""
421 return _IMP_kernel._VectorBaseKD_get_squared_magnitude(self)
423 def get_magnitude(self):
424 r"""get_magnitude(_VectorBaseKD self) -> double"""
425 return _IMP_kernel._VectorBaseKD_get_magnitude(self)
428 r"""get_distance(_VectorBaseKD self, _VectorBaseKD o) -> double"""
429 return _IMP_kernel._VectorBaseKD_get_distance(self, o)
431 def __mul__(self, o):
432 r"""__mul__(_VectorBaseKD self, _VectorBaseKD o) -> double"""
433 return _IMP_kernel._VectorBaseKD___mul__(self, o)
435 def __iadd__(self, o):
436 r"""__iadd__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
437 return _IMP_kernel._VectorBaseKD___iadd__(self, o)
439 def __isub__(self, o):
440 r"""__isub__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
441 return _IMP_kernel._VectorBaseKD___isub__(self, o)
443 def __itruediv__(self, *args):
444 return _IMP_kernel._VectorBaseKD___itruediv__(self, *args)
445 __idiv__ = __itruediv__
449 def __imul__(self, f):
450 r"""__imul__(_VectorBaseKD self, double f) -> _VectorBaseKD"""
451 return _IMP_kernel._VectorBaseKD___imul__(self, f)
453 def show(self, *args):
455 show(_VectorBaseKD self, _ostream out, std::string delim, bool parens=True)
456 show(_VectorBaseKD self, _ostream out=std::cout)
458 return _IMP_kernel._VectorBaseKD_show(self, *args)
460 def get_dimension(self):
461 r"""get_dimension(_VectorBaseKD self) -> unsigned int"""
462 return _IMP_kernel._VectorBaseKD_get_dimension(self)
463 __swig_destroy__ = _IMP_kernel.delete__VectorBaseKD
466 _IMP_kernel._VectorBaseKD_swigregister(_VectorBaseKD)
467 class _VectorBase1D(_GeometricPrimitive1D):
468 r"""Proxy of C++ IMP::internal::VectorBaseD< 1 > class."""
470 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
471 __repr__ = _swig_repr
474 r"""__init__(_VectorBase1D self) -> _VectorBase1D"""
475 _IMP_kernel._VectorBase1D_swiginit(self, _IMP_kernel.new__VectorBase1D())
477 def get_scalar_product(self, o):
478 r"""get_scalar_product(_VectorBase1D self, _VectorBase1D o) -> double"""
479 return _IMP_kernel._VectorBase1D_get_scalar_product(self, o)
481 def get_squared_magnitude(self):
482 r"""get_squared_magnitude(_VectorBase1D self) -> double"""
483 return _IMP_kernel._VectorBase1D_get_squared_magnitude(self)
485 def get_magnitude(self):
486 r"""get_magnitude(_VectorBase1D self) -> double"""
487 return _IMP_kernel._VectorBase1D_get_magnitude(self)
490 r"""get_distance(_VectorBase1D self, _VectorBase1D o) -> double"""
491 return _IMP_kernel._VectorBase1D_get_distance(self, o)
493 def __mul__(self, o):
494 r"""__mul__(_VectorBase1D self, _VectorBase1D o) -> double"""
495 return _IMP_kernel._VectorBase1D___mul__(self, o)
497 def __iadd__(self, o):
498 r"""__iadd__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
499 return _IMP_kernel._VectorBase1D___iadd__(self, o)
501 def __isub__(self, o):
502 r"""__isub__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
503 return _IMP_kernel._VectorBase1D___isub__(self, o)
505 def __itruediv__(self, *args):
506 return _IMP_kernel._VectorBase1D___itruediv__(self, *args)
507 __idiv__ = __itruediv__
511 def __imul__(self, f):
512 r"""__imul__(_VectorBase1D self, double f) -> _VectorBase1D"""
513 return _IMP_kernel._VectorBase1D___imul__(self, f)
515 def show(self, *args):
517 show(_VectorBase1D self, _ostream out, std::string delim, bool parens=True)
518 show(_VectorBase1D self, _ostream out=std::cout)
520 return _IMP_kernel._VectorBase1D_show(self, *args)
522 def get_dimension(self):
523 r"""get_dimension(_VectorBase1D self) -> unsigned int"""
524 return _IMP_kernel._VectorBase1D_get_dimension(self)
525 __swig_destroy__ = _IMP_kernel.delete__VectorBase1D
528 _IMP_kernel._VectorBase1D_swigregister(_VectorBase1D)
529 class _VectorBase2D(_GeometricPrimitive2D):
530 r"""Proxy of C++ IMP::internal::VectorBaseD< 2 > class."""
532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
533 __repr__ = _swig_repr
536 r"""__init__(_VectorBase2D self) -> _VectorBase2D"""
537 _IMP_kernel._VectorBase2D_swiginit(self, _IMP_kernel.new__VectorBase2D())
539 def get_scalar_product(self, o):
540 r"""get_scalar_product(_VectorBase2D self, _VectorBase2D o) -> double"""
541 return _IMP_kernel._VectorBase2D_get_scalar_product(self, o)
543 def get_squared_magnitude(self):
544 r"""get_squared_magnitude(_VectorBase2D self) -> double"""
545 return _IMP_kernel._VectorBase2D_get_squared_magnitude(self)
547 def get_magnitude(self):
548 r"""get_magnitude(_VectorBase2D self) -> double"""
549 return _IMP_kernel._VectorBase2D_get_magnitude(self)
552 r"""get_distance(_VectorBase2D self, _VectorBase2D o) -> double"""
553 return _IMP_kernel._VectorBase2D_get_distance(self, o)
555 def __mul__(self, o):
556 r"""__mul__(_VectorBase2D self, _VectorBase2D o) -> double"""
557 return _IMP_kernel._VectorBase2D___mul__(self, o)
559 def __iadd__(self, o):
560 r"""__iadd__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
561 return _IMP_kernel._VectorBase2D___iadd__(self, o)
563 def __isub__(self, o):
564 r"""__isub__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
565 return _IMP_kernel._VectorBase2D___isub__(self, o)
567 def __itruediv__(self, *args):
568 return _IMP_kernel._VectorBase2D___itruediv__(self, *args)
569 __idiv__ = __itruediv__
573 def __imul__(self, f):
574 r"""__imul__(_VectorBase2D self, double f) -> _VectorBase2D"""
575 return _IMP_kernel._VectorBase2D___imul__(self, f)
577 def show(self, *args):
579 show(_VectorBase2D self, _ostream out, std::string delim, bool parens=True)
580 show(_VectorBase2D self, _ostream out=std::cout)
582 return _IMP_kernel._VectorBase2D_show(self, *args)
584 def get_dimension(self):
585 r"""get_dimension(_VectorBase2D self) -> unsigned int"""
586 return _IMP_kernel._VectorBase2D_get_dimension(self)
587 __swig_destroy__ = _IMP_kernel.delete__VectorBase2D
590 _IMP_kernel._VectorBase2D_swigregister(_VectorBase2D)
591 class _VectorBase3D(_GeometricPrimitive3D):
592 r"""Proxy of C++ IMP::internal::VectorBaseD< 3 > class."""
594 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
595 __repr__ = _swig_repr
598 r"""__init__(_VectorBase3D self) -> _VectorBase3D"""
599 _IMP_kernel._VectorBase3D_swiginit(self, _IMP_kernel.new__VectorBase3D())
601 def get_scalar_product(self, o):
602 r"""get_scalar_product(_VectorBase3D self, _VectorBase3D o) -> double"""
603 return _IMP_kernel._VectorBase3D_get_scalar_product(self, o)
605 def get_squared_magnitude(self):
606 r"""get_squared_magnitude(_VectorBase3D self) -> double"""
607 return _IMP_kernel._VectorBase3D_get_squared_magnitude(self)
609 def get_magnitude(self):
610 r"""get_magnitude(_VectorBase3D self) -> double"""
611 return _IMP_kernel._VectorBase3D_get_magnitude(self)
614 r"""get_distance(_VectorBase3D self, _VectorBase3D o) -> double"""
615 return _IMP_kernel._VectorBase3D_get_distance(self, o)
617 def __mul__(self, o):
618 r"""__mul__(_VectorBase3D self, _VectorBase3D o) -> double"""
619 return _IMP_kernel._VectorBase3D___mul__(self, o)
621 def __iadd__(self, o):
622 r"""__iadd__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
623 return _IMP_kernel._VectorBase3D___iadd__(self, o)
625 def __isub__(self, o):
626 r"""__isub__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
627 return _IMP_kernel._VectorBase3D___isub__(self, o)
629 def __itruediv__(self, *args):
630 return _IMP_kernel._VectorBase3D___itruediv__(self, *args)
631 __idiv__ = __itruediv__
635 def __imul__(self, f):
636 r"""__imul__(_VectorBase3D self, double f) -> _VectorBase3D"""
637 return _IMP_kernel._VectorBase3D___imul__(self, f)
639 def show(self, *args):
641 show(_VectorBase3D self, _ostream out, std::string delim, bool parens=True)
642 show(_VectorBase3D self, _ostream out=std::cout)
644 return _IMP_kernel._VectorBase3D_show(self, *args)
646 def get_dimension(self):
647 r"""get_dimension(_VectorBase3D self) -> unsigned int"""
648 return _IMP_kernel._VectorBase3D_get_dimension(self)
649 __swig_destroy__ = _IMP_kernel.delete__VectorBase3D
652 _IMP_kernel._VectorBase3D_swigregister(_VectorBase3D)
653 class _VectorBase4D(_GeometricPrimitive4D):
654 r"""Proxy of C++ IMP::internal::VectorBaseD< 4 > class."""
656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
657 __repr__ = _swig_repr
660 r"""__init__(_VectorBase4D self) -> _VectorBase4D"""
661 _IMP_kernel._VectorBase4D_swiginit(self, _IMP_kernel.new__VectorBase4D())
663 def get_scalar_product(self, o):
664 r"""get_scalar_product(_VectorBase4D self, _VectorBase4D o) -> double"""
665 return _IMP_kernel._VectorBase4D_get_scalar_product(self, o)
667 def get_squared_magnitude(self):
668 r"""get_squared_magnitude(_VectorBase4D self) -> double"""
669 return _IMP_kernel._VectorBase4D_get_squared_magnitude(self)
671 def get_magnitude(self):
672 r"""get_magnitude(_VectorBase4D self) -> double"""
673 return _IMP_kernel._VectorBase4D_get_magnitude(self)
676 r"""get_distance(_VectorBase4D self, _VectorBase4D o) -> double"""
677 return _IMP_kernel._VectorBase4D_get_distance(self, o)
679 def __mul__(self, o):
680 r"""__mul__(_VectorBase4D self, _VectorBase4D o) -> double"""
681 return _IMP_kernel._VectorBase4D___mul__(self, o)
683 def __iadd__(self, o):
684 r"""__iadd__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
685 return _IMP_kernel._VectorBase4D___iadd__(self, o)
687 def __isub__(self, o):
688 r"""__isub__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
689 return _IMP_kernel._VectorBase4D___isub__(self, o)
691 def __itruediv__(self, *args):
692 return _IMP_kernel._VectorBase4D___itruediv__(self, *args)
693 __idiv__ = __itruediv__
697 def __imul__(self, f):
698 r"""__imul__(_VectorBase4D self, double f) -> _VectorBase4D"""
699 return _IMP_kernel._VectorBase4D___imul__(self, f)
701 def show(self, *args):
703 show(_VectorBase4D self, _ostream out, std::string delim, bool parens=True)
704 show(_VectorBase4D self, _ostream out=std::cout)
706 return _IMP_kernel._VectorBase4D_show(self, *args)
708 def get_dimension(self):
709 r"""get_dimension(_VectorBase4D self) -> unsigned int"""
710 return _IMP_kernel._VectorBase4D_get_dimension(self)
711 __swig_destroy__ = _IMP_kernel.delete__VectorBase4D
714 _IMP_kernel._VectorBase4D_swigregister(_VectorBase4D)
715 class _VectorBase5D(_GeometricPrimitive5D):
716 r"""Proxy of C++ IMP::internal::VectorBaseD< 5 > class."""
718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
719 __repr__ = _swig_repr
722 r"""__init__(_VectorBase5D self) -> _VectorBase5D"""
723 _IMP_kernel._VectorBase5D_swiginit(self, _IMP_kernel.new__VectorBase5D())
725 def get_scalar_product(self, o):
726 r"""get_scalar_product(_VectorBase5D self, _VectorBase5D o) -> double"""
727 return _IMP_kernel._VectorBase5D_get_scalar_product(self, o)
729 def get_squared_magnitude(self):
730 r"""get_squared_magnitude(_VectorBase5D self) -> double"""
731 return _IMP_kernel._VectorBase5D_get_squared_magnitude(self)
733 def get_magnitude(self):
734 r"""get_magnitude(_VectorBase5D self) -> double"""
735 return _IMP_kernel._VectorBase5D_get_magnitude(self)
738 r"""get_distance(_VectorBase5D self, _VectorBase5D o) -> double"""
739 return _IMP_kernel._VectorBase5D_get_distance(self, o)
741 def __mul__(self, o):
742 r"""__mul__(_VectorBase5D self, _VectorBase5D o) -> double"""
743 return _IMP_kernel._VectorBase5D___mul__(self, o)
745 def __iadd__(self, o):
746 r"""__iadd__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
747 return _IMP_kernel._VectorBase5D___iadd__(self, o)
749 def __isub__(self, o):
750 r"""__isub__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
751 return _IMP_kernel._VectorBase5D___isub__(self, o)
753 def __itruediv__(self, *args):
754 return _IMP_kernel._VectorBase5D___itruediv__(self, *args)
755 __idiv__ = __itruediv__
759 def __imul__(self, f):
760 r"""__imul__(_VectorBase5D self, double f) -> _VectorBase5D"""
761 return _IMP_kernel._VectorBase5D___imul__(self, f)
763 def show(self, *args):
765 show(_VectorBase5D self, _ostream out, std::string delim, bool parens=True)
766 show(_VectorBase5D self, _ostream out=std::cout)
768 return _IMP_kernel._VectorBase5D_show(self, *args)
770 def get_dimension(self):
771 r"""get_dimension(_VectorBase5D self) -> unsigned int"""
772 return _IMP_kernel._VectorBase5D_get_dimension(self)
773 __swig_destroy__ = _IMP_kernel.delete__VectorBase5D
776 _IMP_kernel._VectorBase5D_swigregister(_VectorBase5D)
777 class _VectorBase6D(_GeometricPrimitive6D):
778 r"""Proxy of C++ IMP::internal::VectorBaseD< 6 > class."""
780 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
781 __repr__ = _swig_repr
784 r"""__init__(_VectorBase6D self) -> _VectorBase6D"""
785 _IMP_kernel._VectorBase6D_swiginit(self, _IMP_kernel.new__VectorBase6D())
787 def get_scalar_product(self, o):
788 r"""get_scalar_product(_VectorBase6D self, _VectorBase6D o) -> double"""
789 return _IMP_kernel._VectorBase6D_get_scalar_product(self, o)
791 def get_squared_magnitude(self):
792 r"""get_squared_magnitude(_VectorBase6D self) -> double"""
793 return _IMP_kernel._VectorBase6D_get_squared_magnitude(self)
795 def get_magnitude(self):
796 r"""get_magnitude(_VectorBase6D self) -> double"""
797 return _IMP_kernel._VectorBase6D_get_magnitude(self)
800 r"""get_distance(_VectorBase6D self, _VectorBase6D o) -> double"""
801 return _IMP_kernel._VectorBase6D_get_distance(self, o)
803 def __mul__(self, o):
804 r"""__mul__(_VectorBase6D self, _VectorBase6D o) -> double"""
805 return _IMP_kernel._VectorBase6D___mul__(self, o)
807 def __iadd__(self, o):
808 r"""__iadd__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
809 return _IMP_kernel._VectorBase6D___iadd__(self, o)
811 def __isub__(self, o):
812 r"""__isub__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
813 return _IMP_kernel._VectorBase6D___isub__(self, o)
815 def __itruediv__(self, *args):
816 return _IMP_kernel._VectorBase6D___itruediv__(self, *args)
817 __idiv__ = __itruediv__
821 def __imul__(self, f):
822 r"""__imul__(_VectorBase6D self, double f) -> _VectorBase6D"""
823 return _IMP_kernel._VectorBase6D___imul__(self, f)
825 def show(self, *args):
827 show(_VectorBase6D self, _ostream out, std::string delim, bool parens=True)
828 show(_VectorBase6D self, _ostream out=std::cout)
830 return _IMP_kernel._VectorBase6D_show(self, *args)
832 def get_dimension(self):
833 r"""get_dimension(_VectorBase6D self) -> unsigned int"""
834 return _IMP_kernel._VectorBase6D_get_dimension(self)
835 __swig_destroy__ = _IMP_kernel.delete__VectorBase6D
838 _IMP_kernel._VectorBase6D_swigregister(_VectorBase6D)
839 class _InputAdaptor(object):
840 r"""Proxy of C++ IMP::InputAdaptor class."""
842 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
844 def __init__(self, *args, **kwargs):
845 raise AttributeError(
"No constructor defined")
846 __repr__ = _swig_repr
848 def __getstate__(self):
849 raise NotImplementedError(str(self.__class__)
850 +
" does not support serialization")
852 __swig_destroy__ = _IMP_kernel.delete__InputAdaptor
855 _IMP_kernel._InputAdaptor_swigregister(_InputAdaptor)
856 class _NonCopyable(object):
857 r"""Proxy of C++ IMP::NonCopyable class."""
859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
861 def __init__(self, *args, **kwargs):
862 raise AttributeError(
"No constructor defined")
863 __repr__ = _swig_repr
864 __swig_destroy__ = _IMP_kernel.delete__NonCopyable
867 _IMP_kernel._NonCopyable_swigregister(_NonCopyable)
868 class _RAII(_NonCopyable):
869 r"""Proxy of C++ IMP::RAII class."""
871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
873 def __init__(self, *args, **kwargs):
874 raise AttributeError(
"No constructor defined")
875 __repr__ = _swig_repr
876 __swig_destroy__ = _IMP_kernel.delete__RAII
879 _IMP_kernel._RAII_swigregister(_RAII)
880 class _Value(object):
881 r"""Proxy of C++ IMP::Value class."""
883 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
885 def __init__(self, *args, **kwargs):
886 raise AttributeError(
"No constructor defined")
887 __repr__ = _swig_repr
889 def __getstate__(self):
890 raise NotImplementedError(str(self.__class__)
891 +
" does not support serialization")
893 __swig_destroy__ = _IMP_kernel.delete__Value
896 _IMP_kernel._Value_swigregister(_Value)
899 r"""get_executable_name() -> std::string"""
900 return _IMP_kernel.get_executable_name()
904 setup_from_argv(IMP::Strings const & argv, std::string description)
905 setup_from_argv(IMP::Strings const & argv, std::string description, std::string positional_description, int num_positional) -> IMP::Strings
907 return _IMP_kernel.setup_from_argv(*args)
910 r"""add_string_flag(std::string name, std::string default_value, std::string description)"""
911 return _IMP_kernel.add_string_flag(name, default_value, description)
914 r"""get_string_flag(std::string name) -> std::string"""
915 return _IMP_kernel.get_string_flag(name)
918 r"""add_int_flag(std::string name, size_t default_value, std::string description)"""
919 return _IMP_kernel.add_int_flag(name, default_value, description)
922 r"""get_int_flag(std::string name) -> size_t"""
923 return _IMP_kernel.get_int_flag(name)
926 r"""add_bool_flag(std::string name, std::string description)"""
927 return _IMP_kernel.add_bool_flag(name, description)
930 r"""get_bool_flag(std::string name) -> bool"""
931 return _IMP_kernel.get_bool_flag(name)
934 r"""add_float_flag(std::string name, double default_value, std::string description)"""
935 return _IMP_kernel.add_float_flag(name, default_value, description)
938 r"""get_float_flag(std::string name) -> double"""
939 return _IMP_kernel.get_float_flag(name)
942 r"""write_help(_ostream out=std::cerr)"""
943 return _IMP_kernel.write_help(*args)
946 r"""get_is_quick_test() -> bool"""
947 return _IMP_kernel.get_is_quick_test()
948 DEFAULT = _IMP_kernel.DEFAULT
950 SILENT = _IMP_kernel.SILENT
952 WARNING = _IMP_kernel.WARNING
954 PROGRESS = _IMP_kernel.PROGRESS
956 TERSE = _IMP_kernel.TERSE
958 VERBOSE = _IMP_kernel.VERBOSE
960 MEMORY = _IMP_kernel.MEMORY
962 ALL_LOG = _IMP_kernel.ALL_LOG
964 class VersionInfo(_Value):
965 r"""Proxy of C++ IMP::VersionInfo class."""
967 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
969 def __init__(self, *args):
971 __init__(VersionInfo self, std::string module, std::string version) -> VersionInfo
972 __init__(VersionInfo self) -> VersionInfo
974 _IMP_kernel.VersionInfo_swiginit(self, _IMP_kernel.new_VersionInfo(*args))
976 def get_module(self):
977 r"""get_module(VersionInfo self) -> std::string"""
978 return _IMP_kernel.VersionInfo_get_module(self)
980 def get_version(self):
981 r"""get_version(VersionInfo self) -> std::string"""
982 return _IMP_kernel.VersionInfo_get_version(self)
984 def show(self, *args):
985 r"""show(VersionInfo self, _ostream out=std::cout)"""
986 return _IMP_kernel.VersionInfo_show(self, *args)
988 def __cmp__(self, o):
989 r"""__cmp__(VersionInfo self, VersionInfo o) -> int"""
990 return _IMP_kernel.VersionInfo___cmp__(self, o)
993 r"""__eq__(VersionInfo self, VersionInfo o) -> bool"""
994 return _IMP_kernel.VersionInfo___eq__(self, o)
997 r"""__ne__(VersionInfo self, VersionInfo o) -> bool"""
998 return _IMP_kernel.VersionInfo___ne__(self, o)
1000 def __lt__(self, o):
1001 r"""__lt__(VersionInfo self, VersionInfo o) -> bool"""
1002 return _IMP_kernel.VersionInfo___lt__(self, o)
1004 def __gt__(self, o):
1005 r"""__gt__(VersionInfo self, VersionInfo o) -> bool"""
1006 return _IMP_kernel.VersionInfo___gt__(self, o)
1008 def __ge__(self, o):
1009 r"""__ge__(VersionInfo self, VersionInfo o) -> bool"""
1010 return _IMP_kernel.VersionInfo___ge__(self, o)
1012 def __le__(self, o):
1013 r"""__le__(VersionInfo self, VersionInfo o) -> bool"""
1014 return _IMP_kernel.VersionInfo___le__(self, o)
1017 r"""__str__(VersionInfo self) -> std::string"""
1018 return _IMP_kernel.VersionInfo___str__(self)
1021 r"""__repr__(VersionInfo self) -> std::string"""
1022 return _IMP_kernel.VersionInfo___repr__(self)
1024 def _get_as_binary(self):
1025 r"""_get_as_binary(VersionInfo self) -> PyObject *"""
1026 return _IMP_kernel.VersionInfo__get_as_binary(self)
1028 def _set_from_binary(self, p):
1029 r"""_set_from_binary(VersionInfo self, PyObject * p)"""
1030 return _IMP_kernel.VersionInfo__set_from_binary(self, p)
1032 def __getstate__(self):
1033 p = self._get_as_binary()
1034 if len(self.__dict__) > 1:
1035 d = self.__dict__.copy()
1040 def __setstate__(self, p):
1041 if not hasattr(self,
'this'):
1043 if isinstance(p, tuple):
1045 self.__dict__.update(d)
1046 return self._set_from_binary(p)
1048 __swig_destroy__ = _IMP_kernel.delete_VersionInfo
1051 _IMP_kernel.VersionInfo_swigregister(VersionInfo)
1052 class TextOutput(_InputAdaptor):
1053 r"""Proxy of C++ IMP::TextOutput class."""
1055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1056 __repr__ = _swig_repr
1058 def __init__(self, *args):
1060 __init__(TextOutput self, int arg2) -> TextOutput
1061 __init__(TextOutput self, double arg2) -> TextOutput
1062 __init__(TextOutput self, char const * c, bool append=False) -> TextOutput
1063 __init__(TextOutput self, IMP::TextProxy< std::ostream > p) -> TextOutput
1064 __init__(TextOutput self) -> TextOutput
1065 __init__(TextOutput self, std::string file_name, bool append=False) -> TextOutput
1067 _IMP_kernel.TextOutput_swiginit(self, _IMP_kernel.new_TextOutput(*args))
1069 def show(self, *args):
1070 r"""show(TextOutput self, _ostream out=std::cout)"""
1071 return _IMP_kernel.TextOutput_show(self, *args)
1074 r"""get_name(TextOutput self) -> std::string"""
1075 return _IMP_kernel.TextOutput_get_name(self)
1076 __swig_destroy__ = _IMP_kernel.delete_TextOutput
1079 _IMP_kernel.TextOutput_swigregister(TextOutput)
1080 class TextInput(_InputAdaptor):
1081 r"""Proxy of C++ IMP::TextInput class."""
1083 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1084 __repr__ = _swig_repr
1086 def __init__(self, *args):
1088 __init__(TextInput self, int arg2) -> TextInput
1089 __init__(TextInput self, double arg2) -> TextInput
1090 __init__(TextInput self, char const * c) -> TextInput
1091 __init__(TextInput self, IMP::TextProxy< std::istream > p) -> TextInput
1092 __init__(TextInput self) -> TextInput
1093 __init__(TextInput self, std::string file_name) -> TextInput
1095 _IMP_kernel.TextInput_swiginit(self, _IMP_kernel.new_TextInput(*args))
1097 def show(self, *args):
1098 r"""show(TextInput self, _ostream out=std::cout)"""
1099 return _IMP_kernel.TextInput_show(self, *args)
1102 r"""get_name(TextInput self) -> std::string"""
1103 return _IMP_kernel.TextInput_get_name(self)
1105 def set_binary_open_mode(self, binary):
1106 r"""set_binary_open_mode(TextInput self, bool binary)"""
1107 return _IMP_kernel.TextInput_set_binary_open_mode(self, binary)
1108 __swig_destroy__ = _IMP_kernel.delete_TextInput
1111 _IMP_kernel.TextInput_swigregister(TextInput)
1112 class SetLogTarget(_RAII):
1113 r"""Proxy of C++ IMP::SetLogTarget class."""
1115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1117 def __init__(self, *args):
1119 __init__(SetLogTarget self) -> SetLogTarget
1120 __init__(SetLogTarget self, TextOutput to) -> SetLogTarget
1122 _IMP_kernel.SetLogTarget_swiginit(self, _IMP_kernel.new_SetLogTarget(*args))
1125 r"""set(SetLogTarget self, TextOutput to)"""
1126 return _IMP_kernel.SetLogTarget_set(self, to)
1129 r"""reset(SetLogTarget self)"""
1130 return _IMP_kernel.SetLogTarget_reset(self)
1131 __swig_destroy__ = _IMP_kernel.delete_SetLogTarget
1133 def show(self, *args):
1134 r"""show(SetLogTarget self, _ostream out=std::cout)"""
1135 return _IMP_kernel.SetLogTarget_show(self, *args)
1137 def __enter__(self):
1139 def __exit__(self, exc_type, exc_val, exc_tb):
1145 r"""__str__(SetLogTarget self) -> std::string"""
1146 return _IMP_kernel.SetLogTarget___str__(self)
1149 r"""__repr__(SetLogTarget self) -> std::string"""
1150 return _IMP_kernel.SetLogTarget___repr__(self)
1153 _IMP_kernel.SetLogTarget_swigregister(SetLogTarget)
1156 r"""create_temporary_file(std::string prefix="imp_temp", std::string suffix="") -> TextOutput"""
1157 return _IMP_kernel.create_temporary_file(*args)
1160 r"""create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="") -> std::string"""
1161 return _IMP_kernel.create_temporary_file_name(*args)
1164 r"""get_relative_path(std::string base, std::string relative) -> std::string"""
1165 return _IMP_kernel.get_relative_path(base, relative)
1168 r"""get_absolute_path(std::string file) -> std::string"""
1169 return _IMP_kernel.get_absolute_path(file)
1171 def push_log_context(functionname, object):
1172 r"""push_log_context(char const * functionname, void const * object)"""
1173 return _IMP_kernel.push_log_context(functionname, object)
1175 def pop_log_context():
1176 r"""pop_log_context()"""
1177 return _IMP_kernel.pop_log_context()
1181 add_to_log(std::string to_write)
1182 add_to_log(IMP::LogLevel level, std::string to_write)
1184 return _IMP_kernel.add_to_log(*args)
1187 r"""set_log_level(IMP::LogLevel l)"""
1188 return _IMP_kernel.set_log_level(l)
1191 r"""set_log_timer(bool tb)"""
1192 return _IMP_kernel.set_log_timer(tb)
1195 r"""reset_log_timer()"""
1196 return _IMP_kernel.reset_log_timer()
1199 r"""get_log_level() -> IMP::LogLevel"""
1200 return _IMP_kernel.get_log_level()
1203 r"""set_progress_display(std::string description, unsigned int steps)"""
1204 return _IMP_kernel.set_progress_display(description, steps)
1207 r"""add_to_progress_display(unsigned int step=1)"""
1208 return _IMP_kernel.add_to_progress_display(step)
1209 class Object(_NonCopyable):
1210 r"""Proxy of C++ IMP::Object class."""
1212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1214 def __init__(self, name):
1215 r"""__init__(Object self, std::string name) -> Object"""
1216 if self.__class__ == Object:
1220 _IMP_kernel.Object_swiginit(self, _IMP_kernel.new_Object(_self, name))
1222 if self.__class__ != Object:
1223 _director_objects.register(self)
1227 __swig_destroy__ = _IMP_kernel.delete_Object
1230 r"""__hash__(Object self) -> std::size_t"""
1231 return _IMP_kernel.Object___hash__(self)
1234 r"""set_log_level(Object self, IMP::LogLevel l)"""
1235 return _IMP_kernel.Object_set_log_level(self, l)
1238 r"""set_check_level(Object self, IMP::CheckLevel l)"""
1239 return _IMP_kernel.Object_set_check_level(self, l)
1242 r"""get_log_level(Object self) -> IMP::LogLevel"""
1243 return _IMP_kernel.Object_get_log_level(self)
1246 r"""get_check_level(Object self) -> IMP::CheckLevel"""
1247 return _IMP_kernel.Object_get_check_level(self)
1249 def get_version_info(self):
1250 r"""get_version_info(Object self) -> VersionInfo"""
1251 val = _IMP_kernel.Object_get_version_info(self)
1252 if val.get_module() ==
'none':
1259 r"""get_name(Object self) -> std::string const &"""
1260 return _IMP_kernel.Object_get_name(self)
1262 def set_name(self, name):
1263 r"""set_name(Object self, std::string name)"""
1264 return _IMP_kernel.Object_set_name(self, name)
1266 def get_type_name(self):
1267 r"""get_type_name(Object self) -> std::string"""
1268 val = _IMP_kernel.Object_get_type_name(self)
1269 if val ==
'unknown object type':
1270 val = self.__class__.__name__
1273 def set_was_used(self, tf):
1274 r"""set_was_used(Object self, bool tf)"""
1275 return _IMP_kernel.Object_set_was_used(self, tf)
1277 def show(self, *args):
1278 r"""show(Object self, _ostream out=std::cout)"""
1279 return _IMP_kernel.Object_show(self, *args)
1281 def get_string(self):
1282 r"""get_string(Object self) -> std::string"""
1283 return _IMP_kernel.Object_get_string(self)
1285 def _on_destruction(self):
1286 r"""_on_destruction(Object self)"""
1287 return _IMP_kernel.Object__on_destruction(self)
1289 def get_is_valid(self):
1290 r"""get_is_valid(Object self) -> bool"""
1291 return _IMP_kernel.Object_get_is_valid(self)
1293 def get_ref_count(self):
1294 r"""get_ref_count(Object self) -> unsigned int"""
1295 return _IMP_kernel.Object_get_ref_count(self)
1298 def get_number_of_live_objects():
1299 r"""get_number_of_live_objects() -> unsigned int"""
1300 return _IMP_kernel.Object_get_number_of_live_objects()
1302 def get_is_shared(self):
1303 r"""get_is_shared(Object self) -> bool"""
1304 return _IMP_kernel.Object_get_is_shared(self)
1306 def clear_caches(self):
1307 r"""clear_caches(Object self)"""
1308 return _IMP_kernel.Object_clear_caches(self)
1310 def do_destroy(self):
1311 r"""do_destroy(Object self)"""
1312 return _IMP_kernel.Object_do_destroy(self)
1314 def __getstate__(self):
1315 raise NotImplementedError(str(self.__class__)
1316 +
" does not support serialization")
1319 def __eq__(self, o):
1320 r"""__eq__(Object self, Object o) -> bool"""
1321 return _IMP_kernel.Object___eq__(self, o)
1323 def __ne__(self, o):
1324 r"""__ne__(Object self, Object o) -> bool"""
1325 return _IMP_kernel.Object___ne__(self, o)
1327 def __le__(self, o):
1328 r"""__le__(Object self, Object o) -> bool"""
1329 return _IMP_kernel.Object___le__(self, o)
1331 def __lt__(self, o):
1332 r"""__lt__(Object self, Object o) -> bool"""
1333 return _IMP_kernel.Object___lt__(self, o)
1335 def __ge__(self, o):
1336 r"""__ge__(Object self, Object o) -> bool"""
1337 return _IMP_kernel.Object___ge__(self, o)
1339 def __gt__(self, o):
1340 r"""__gt__(Object self, Object o) -> bool"""
1341 return _IMP_kernel.Object___gt__(self, o)
1343 def _get_director_object(self):
1344 r"""_get_director_object(Object self) -> PyObject *"""
1345 return _IMP_kernel.Object__get_director_object(self)
1348 """Return this object cast to the most derived subclass."""
1350 pyobj = self._get_director_object()
1351 if pyobj
is not None:
1355 modname = self.get_version_info().get_module().replace(
'::',
'.')
1356 type_name = self.get_type_name()
1357 if (modname ==
'IMP.core'
1358 and type_name ==
'GenericBoundingBox3DSingletonScore'):
1359 type_name =
'BoundingBox3DSingletonScore'
1360 elif (modname ==
'IMP.core'
1361 and type_name ==
'GenericAttributeSingletonScore'):
1362 type_name =
'AttributeSingletonScore'
1363 elif (modname ==
'IMP.core'
1364 and type_name ==
'GenericBoundingSphere3DSingletonScore'):
1365 type_name =
'BoundingSphere3DSingletonScore'
1366 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
1370 elif modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
1372 if self.get_single_restraint():
1375 type_name =
'_RestraintsScoringFunction'
1376 modobj = sys.modules[modname]
1377 clsobj = getattr(modobj, type_name)
1378 return clsobj.get_from(self)
1382 r"""__str__(Object self) -> std::string"""
1383 return _IMP_kernel.Object___str__(self)
1386 r"""__repr__(Object self) -> std::string"""
1387 return _IMP_kernel.Object___repr__(self)
1391 return _object_cast_to_Object(o)
1393 def __disown__(self):
1395 _IMP_kernel.disown_Object(self)
1396 return weakref.proxy(self)
1399 _IMP_kernel.Object_swigregister(Object)
1400 class SetLogState(_RAII):
1401 r"""Proxy of C++ IMP::SetLogState class."""
1403 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1406 r"""reset(SetLogState self)"""
1407 return _IMP_kernel.SetLogState_reset(self)
1408 __swig_destroy__ = _IMP_kernel.delete_SetLogState
1410 def show(self, *args):
1411 r"""show(SetLogState self, _ostream out=std::cout)"""
1412 return _IMP_kernel.SetLogState_show(self, *args)
1414 def __init__(self, *args):
1416 __init__(SetLogState self) -> SetLogState
1417 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
1418 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
1420 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
1422 def set(self, *args):
1424 set(SetLogState self, Object o, IMP::LogLevel l)
1425 set(SetLogState self, IMP::LogLevel l)
1427 return _IMP_kernel.SetLogState_set(self, *args)
1429 def __enter__(self):
1431 def __exit__(self, exc_type, exc_val, exc_tb):
1437 r"""__str__(SetLogState self) -> std::string"""
1438 return _IMP_kernel.SetLogState___str__(self)
1441 r"""__repr__(SetLogState self) -> std::string"""
1442 return _IMP_kernel.SetLogState___repr__(self)
1445 _IMP_kernel.SetLogState_swigregister(SetLogState)
1446 class WarningContext(object):
1447 r"""Proxy of C++ IMP::WarningContext class."""
1449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1450 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
1452 def add_warning(self, key, warning):
1453 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
1454 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
1456 def clear_warnings(self):
1457 r"""clear_warnings(WarningContext self)"""
1458 return _IMP_kernel.WarningContext_clear_warnings(self)
1460 def dump_warnings(self):
1461 r"""dump_warnings(WarningContext self)"""
1462 return _IMP_kernel.WarningContext_dump_warnings(self)
1463 __swig_destroy__ = _IMP_kernel.delete_WarningContext
1465 def show(self, *args):
1466 r"""show(WarningContext self, _ostream out=std::cout)"""
1467 return _IMP_kernel.WarningContext_show(self, *args)
1469 def __enter__(self):
1471 def __exit__(self, exc_type, exc_val, exc_tb):
1477 r"""__str__(WarningContext self) -> std::string"""
1478 return _IMP_kernel.WarningContext___str__(self)
1481 r"""__repr__(WarningContext self) -> std::string"""
1482 return _IMP_kernel.WarningContext___repr__(self)
1485 r"""__init__(WarningContext self) -> WarningContext"""
1486 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
1489 _IMP_kernel.WarningContext_swigregister(WarningContext)
1490 class CreateLogContext(_RAII):
1491 r"""Proxy of C++ IMP::CreateLogContext class."""
1493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1495 def __init__(self, *args):
1497 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
1498 __init__(CreateLogContext self) -> CreateLogContext
1499 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
1501 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
1503 def set(self, fname, object=None):
1504 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
1505 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1508 r"""reset(CreateLogContext self)"""
1509 return _IMP_kernel.CreateLogContext_reset(self)
1510 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1512 def show(self, *args):
1513 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1514 return _IMP_kernel.CreateLogContext_show(self, *args)
1516 def __enter__(self):
1518 def __exit__(self, exc_type, exc_val, exc_tb):
1524 r"""__str__(CreateLogContext self) -> std::string"""
1525 return _IMP_kernel.CreateLogContext___str__(self)
1528 r"""__repr__(CreateLogContext self) -> std::string"""
1529 return _IMP_kernel.CreateLogContext___repr__(self)
1532 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1533 class SetCheckState(_RAII):
1534 r"""Proxy of C++ IMP::SetCheckState class."""
1536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1539 r"""reset(SetCheckState self)"""
1540 return _IMP_kernel.SetCheckState_reset(self)
1541 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1543 def show(self, *args):
1544 r"""show(SetCheckState self, _ostream out=std::cout)"""
1545 return _IMP_kernel.SetCheckState_show(self, *args)
1547 def __init__(self, *args):
1549 __init__(SetCheckState self) -> SetCheckState
1550 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1551 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1553 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1555 def set(self, *args):
1557 set(SetCheckState self, Object o, IMP::CheckLevel l)
1558 set(SetCheckState self, IMP::CheckLevel l)
1560 return _IMP_kernel.SetCheckState_set(self, *args)
1562 def __enter__(self):
1564 def __exit__(self, exc_type, exc_val, exc_tb):
1570 r"""__str__(SetCheckState self) -> std::string"""
1571 return _IMP_kernel.SetCheckState___str__(self)
1574 r"""__repr__(SetCheckState self) -> std::string"""
1575 return _IMP_kernel.SetCheckState___repr__(self)
1578 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1581 r"""get_unique_name(std::string templ) -> std::string"""
1582 return _IMP_kernel.get_unique_name(templ)
1585 r"""get_copyright() -> std::string"""
1586 return _IMP_kernel.get_copyright()
1587 class _Protection(object):
1588 r"""Proxy of C++ IMP::internal::_Protection class."""
1590 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1592 def __init__(self, *args, **kwargs):
1593 raise AttributeError(
"No constructor defined")
1595 def show(self, *args):
1596 r"""show(_Protection self, _ostream out=std::cout)"""
1597 return _IMP_kernel._Protection_show(self, *args)
1600 r"""__str__(_Protection self) -> std::string"""
1601 return _IMP_kernel._Protection___str__(self)
1604 r"""__repr__(_Protection self) -> std::string"""
1605 return _IMP_kernel._Protection___repr__(self)
1606 __swig_destroy__ = _IMP_kernel.delete__Protection
1609 _IMP_kernel._Protection_swigregister(_Protection)
1613 return _IMP_kernel._test_log()
1615 def _test_intranges(ips):
1616 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1617 return _IMP_kernel._test_intranges(ips)
1619 def _test_intrange(*args):
1621 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1622 _test_intrange() -> IMP::IntRange
1624 return _IMP_kernel._test_intrange(*args)
1627 r"""_test_ifile(TextInput a) -> std::string"""
1628 return _IMP_kernel._test_ifile(a)
1631 r"""_test_ofile(TextOutput a) -> std::string"""
1632 return _IMP_kernel._test_ofile(a)
1634 def _test_ifile_overloaded(*args):
1636 _test_ifile_overloaded(TextInput a, int i) -> std::string
1637 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1639 return _IMP_kernel._test_ifile_overloaded(*args)
1641 def _test_ofile_overloaded(*args):
1643 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1644 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1646 return _IMP_kernel._test_ofile_overloaded(*args)
1647 class _TestValue(object):
1648 r"""Proxy of C++ IMP::internal::_TestValue class."""
1650 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1652 def __init__(self, i):
1653 r"""__init__(_TestValue self, int i) -> _TestValue"""
1654 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1656 def show(self, *args):
1657 r"""show(_TestValue self, _ostream out=std::cout)"""
1658 return _IMP_kernel._TestValue_show(self, *args)
1660 def __cmp__(self, o):
1661 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1662 return _IMP_kernel._TestValue___cmp__(self, o)
1664 def __eq__(self, o):
1665 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1666 return _IMP_kernel._TestValue___eq__(self, o)
1668 def __ne__(self, o):
1669 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1670 return _IMP_kernel._TestValue___ne__(self, o)
1672 def __lt__(self, o):
1673 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1674 return _IMP_kernel._TestValue___lt__(self, o)
1676 def __gt__(self, o):
1677 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1678 return _IMP_kernel._TestValue___gt__(self, o)
1680 def __ge__(self, o):
1681 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1682 return _IMP_kernel._TestValue___ge__(self, o)
1684 def __le__(self, o):
1685 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1686 return _IMP_kernel._TestValue___le__(self, o)
1689 r"""get(_TestValue self) -> int"""
1690 return _IMP_kernel._TestValue_get(self)
1692 def get_float(self):
1693 r"""get_float(_TestValue self) -> float const &"""
1694 return _IMP_kernel._TestValue_get_float(self)
1696 def get_double(self):
1697 r"""get_double(_TestValue self) -> double const &"""
1698 return _IMP_kernel._TestValue_get_double(self)
1700 def get_Float(self):
1701 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1702 return _IMP_kernel._TestValue_get_Float(self)
1705 r"""get_int(_TestValue self) -> int const &"""
1706 return _IMP_kernel._TestValue_get_int(self)
1709 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1710 return _IMP_kernel._TestValue_get_Int(self)
1712 def get_string(self):
1713 r"""get_string(_TestValue self) -> std::string const &"""
1714 return _IMP_kernel._TestValue_get_string(self)
1716 def get_String(self):
1717 r"""get_String(_TestValue self) -> IMP::String const &"""
1718 return _IMP_kernel._TestValue_get_String(self)
1721 r"""__str__(_TestValue self) -> std::string"""
1722 return _IMP_kernel._TestValue___str__(self)
1725 r"""__repr__(_TestValue self) -> std::string"""
1726 return _IMP_kernel._TestValue___repr__(self)
1727 __swig_destroy__ = _IMP_kernel.delete__TestValue
1730 _IMP_kernel._TestValue_swigregister(_TestValue)
1732 def _pass_plain_pair(p):
1733 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1734 return _IMP_kernel._pass_plain_pair(p)
1736 def _pass_overloaded_strings(*args):
1738 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1739 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1741 return _IMP_kernel._pass_overloaded_strings(*args)
1744 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1745 return _IMP_kernel._pass_pair(p)
1747 def _pass_floats(input):
1748 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1749 return _IMP_kernel._pass_floats(input)
1751 def _pass_ints(input):
1752 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1753 return _IMP_kernel._pass_ints(input)
1755 def _pass_ints_list(input):
1756 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1757 return _IMP_kernel._pass_ints_list(input)
1759 def _pass_ints_lists(input):
1760 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1761 return _IMP_kernel._pass_ints_lists(input)
1763 def _pass_strings(input):
1764 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1765 return _IMP_kernel._pass_strings(input)
1766 class _TestObject(
Object):
1767 r"""Proxy of C++ IMP::internal::_TestObject class."""
1769 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1772 r"""__init__(_TestObject self) -> _TestObject"""
1773 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1776 r"""get_version_info(_TestObject self) -> VersionInfo"""
1777 return _IMP_kernel._TestObject_get_version_info(self)
1778 __swig_destroy__ = _IMP_kernel.delete__TestObject
1781 r"""__str__(_TestObject self) -> std::string"""
1782 return _IMP_kernel._TestObject___str__(self)
1785 r"""__repr__(_TestObject self) -> std::string"""
1786 return _IMP_kernel._TestObject___repr__(self)
1790 return _object_cast_to__TestObject(o)
1794 _IMP_kernel._TestObject_swigregister(_TestObject)
1797 r"""get_live_object_names() -> IMP::Strings"""
1798 return _IMP_kernel.get_live_object_names()
1801 r"""get_live_objects() -> IMP::Objects"""
1802 return _IMP_kernel.get_live_objects()
1805 r"""set_show_leaked_objects(bool tf)"""
1806 return _IMP_kernel.set_show_leaked_objects(tf)
1809 r"""set_deprecation_warnings(bool tf)"""
1810 return _IMP_kernel.set_deprecation_warnings(tf)
1813 r"""set_deprecation_exceptions(bool tf)"""
1814 return _IMP_kernel.set_deprecation_exceptions(tf)
1817 r"""get_deprecation_exceptions() -> bool"""
1818 return _IMP_kernel.get_deprecation_exceptions()
1821 r"""handle_use_deprecated(std::string message)"""
1822 return _IMP_kernel.handle_use_deprecated(message)
1825 r"""get_number_of_threads() -> unsigned int"""
1826 return _IMP_kernel.get_number_of_threads()
1829 r"""set_number_of_threads(unsigned int n)"""
1830 return _IMP_kernel.set_number_of_threads(n)
1831 class SetNumberOfThreads(_RAII):
1832 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1836 def __init__(self, *args):
1838 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1839 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1841 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1844 r"""set(SetNumberOfThreads self, unsigned int n)"""
1845 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1848 r"""reset(SetNumberOfThreads self)"""
1849 return _IMP_kernel.SetNumberOfThreads_reset(self)
1850 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1852 def show(self, *args):
1853 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1854 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1856 def __enter__(self):
1858 def __exit__(self, exc_type, exc_val, exc_tb):
1864 r"""__str__(SetNumberOfThreads self) -> std::string"""
1865 return _IMP_kernel.SetNumberOfThreads___str__(self)
1868 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1869 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1872 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1875 i_m_p=
"IMP_MODULE_PATH"
1876 if i_m_p
in os.environ.keys():
1877 __path__.insert(0, os.environ[i_m_p])
1879 def _forward_add_attribute(self, name, value, opt=None):
1881 self.get_particle().add_attribute(name, value, opt)
1883 self.get_particle().add_attribute(name, value)
1884 def _forward_get_value(self, name):
1885 self.get_particle().get_value(name)
1886 def _forward_set_value(self, name, value):
1887 self.get_particle().set_value(name, value)
1893 _object_types.append(
"Constraint")
1896 def _object_cast_to_Constraint(o):
1897 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1898 return _IMP_kernel._object_cast_to_Constraint(o)
1900 _object_types.append(
"Undecorator")
1903 def _object_cast_to_Undecorator(o):
1904 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1905 return _IMP_kernel._object_cast_to_Undecorator(o)
1907 _object_types.append(
"Container")
1910 def _object_cast_to_Container(o):
1911 r"""_object_cast_to_Container(Object o) -> Container"""
1912 return _IMP_kernel._object_cast_to_Container(o)
1914 _object_types.append(
"Optimizer")
1917 def _object_cast_to_Optimizer(o):
1918 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1919 return _IMP_kernel._object_cast_to_Optimizer(o)
1921 _object_types.append(
"AttributeOptimizer")
1924 def _object_cast_to_AttributeOptimizer(o):
1925 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1926 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1928 _object_types.append(
"OptimizerState")
1931 def _object_cast_to_OptimizerState(o):
1932 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1933 return _IMP_kernel._object_cast_to_OptimizerState(o)
1935 _object_types.append(
"PairContainer")
1938 def _object_cast_to_PairContainer(o):
1939 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1940 return _IMP_kernel._object_cast_to_PairContainer(o)
1942 _object_types.append(
"PairModifier")
1945 def _object_cast_to_PairModifier(o):
1946 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1947 return _IMP_kernel._object_cast_to_PairModifier(o)
1949 _object_types.append(
"PairScore")
1952 def _object_cast_to_PairScore(o):
1953 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1954 return _IMP_kernel._object_cast_to_PairScore(o)
1956 _object_types.append(
"QuadContainer")
1959 def _object_cast_to_QuadContainer(o):
1960 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1961 return _IMP_kernel._object_cast_to_QuadContainer(o)
1963 _object_types.append(
"QuadModifier")
1966 def _object_cast_to_QuadModifier(o):
1967 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1968 return _IMP_kernel._object_cast_to_QuadModifier(o)
1970 _object_types.append(
"QuadScore")
1973 def _object_cast_to_QuadScore(o):
1974 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1975 return _IMP_kernel._object_cast_to_QuadScore(o)
1977 _object_types.append(
"Refiner")
1980 def _object_cast_to_Refiner(o):
1981 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1982 return _IMP_kernel._object_cast_to_Refiner(o)
1984 _object_types.append(
"Restraint")
1987 def _object_cast_to_Restraint(o):
1988 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1989 return _IMP_kernel._object_cast_to_Restraint(o)
1991 _object_types.append(
"Sampler")
1994 def _object_cast_to_Sampler(o):
1995 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1996 return _IMP_kernel._object_cast_to_Sampler(o)
1998 _object_types.append(
"ScoreState")
2001 def _object_cast_to_ScoreState(o):
2002 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
2003 return _IMP_kernel._object_cast_to_ScoreState(o)
2005 _object_types.append(
"SingletonContainer")
2008 def _object_cast_to_SingletonContainer(o):
2009 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
2010 return _IMP_kernel._object_cast_to_SingletonContainer(o)
2012 _object_types.append(
"SingletonModifier")
2015 def _object_cast_to_SingletonModifier(o):
2016 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
2017 return _IMP_kernel._object_cast_to_SingletonModifier(o)
2019 _object_types.append(
"SingletonScore")
2022 def _object_cast_to_SingletonScore(o):
2023 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
2024 return _IMP_kernel._object_cast_to_SingletonScore(o)
2026 _object_types.append(
"TripletContainer")
2029 def _object_cast_to_TripletContainer(o):
2030 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
2031 return _IMP_kernel._object_cast_to_TripletContainer(o)
2033 _object_types.append(
"TripletModifier")
2036 def _object_cast_to_TripletModifier(o):
2037 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
2038 return _IMP_kernel._object_cast_to_TripletModifier(o)
2040 _object_types.append(
"TripletScore")
2043 def _object_cast_to_TripletScore(o):
2044 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
2045 return _IMP_kernel._object_cast_to_TripletScore(o)
2047 _object_types.append(
"UnaryFunction")
2050 def _object_cast_to_UnaryFunction(o):
2051 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
2052 return _IMP_kernel._object_cast_to_UnaryFunction(o)
2054 _object_types.append(
"RestraintInfo")
2057 def _object_cast_to_RestraintInfo(o):
2058 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
2059 return _IMP_kernel._object_cast_to_RestraintInfo(o)
2061 _object_types.append(
"ConfigurationSet")
2064 def _object_cast_to_ConfigurationSet(o):
2065 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
2066 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
2068 _object_types.append(
"Configuration")
2071 def _object_cast_to_Configuration(o):
2072 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
2073 return _IMP_kernel._object_cast_to_Configuration(o)
2075 _object_types.append(
"Model")
2078 def _object_cast_to_Model(o):
2079 r"""_object_cast_to_Model(Object o) -> Model"""
2080 return _IMP_kernel._object_cast_to_Model(o)
2082 _object_types.append(
"Particle")
2085 def _object_cast_to_Particle(o):
2086 r"""_object_cast_to_Particle(Object o) -> Particle"""
2087 return _IMP_kernel._object_cast_to_Particle(o)
2089 _object_types.append(
"RestraintSet")
2092 def _object_cast_to_RestraintSet(o):
2093 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
2094 return _IMP_kernel._object_cast_to_RestraintSet(o)
2096 ParticlePairsTemp=list
2097 _plural_types.append(
"ParticlePairsTemp")
2098 _value_types.append(
"ParticlePair")
2101 ParticleTripletsTemp=list
2102 _plural_types.append(
"ParticleTripletsTemp")
2103 _value_types.append(
"ParticleTriplet")
2106 ParticleQuadsTemp=list
2107 _plural_types.append(
"ParticleQuadsTemp")
2108 _value_types.append(
"ParticleQuad")
2111 ParticleIndexPairs=list
2112 _plural_types.append(
"ParticleIndexPairs")
2113 _value_types.append(
"ParticleIndexPair")
2116 ParticleIndexTriplets=list
2117 _plural_types.append(
"ParticleIndexTriplets")
2118 _value_types.append(
"ParticleIndexTriplet")
2121 ParticleIndexQuads=list
2122 _plural_types.append(
"ParticleIndexQuads")
2123 _value_types.append(
"ParticleIndexQuad")
2126 _object_types.append(
"SingletonPredicate")
2129 def _object_cast_to_SingletonPredicate(o):
2130 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
2131 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
2133 _object_types.append(
"PairPredicate")
2136 def _object_cast_to_PairPredicate(o):
2137 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
2138 return _IMP_kernel._object_cast_to_PairPredicate(o)
2140 _object_types.append(
"TripletPredicate")
2143 def _object_cast_to_TripletPredicate(o):
2144 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
2145 return _IMP_kernel._object_cast_to_TripletPredicate(o)
2147 _object_types.append(
"QuadPredicate")
2150 def _object_cast_to_QuadPredicate(o):
2151 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
2152 return _IMP_kernel._object_cast_to_QuadPredicate(o)
2154 _object_types.append(
"SaveToConfigurationSetOptimizerState")
2157 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
2158 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
2159 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
2161 EvaluationStates=list
2162 _plural_types.append(
"EvaluationStates")
2163 _value_types.append(
"EvaluationState")
2166 ScoreAccumulators=list
2167 _plural_types.append(
"ScoreAccumulators")
2168 _value_types.append(
"ScoreAccumulator")
2171 ParticleIndexes=list
2172 _plural_types.append(
"ParticleIndexes")
2173 _value_types.append(
"ParticleIndex")
2177 _plural_types.append(
"FloatIndexes")
2178 _value_types.append(
"FloatIndex")
2182 _plural_types.append(
"FloatKeys")
2183 _value_types.append(
"FloatKey")
2187 _plural_types.append(
"FloatsKeys")
2188 _value_types.append(
"FloatsKey")
2192 _plural_types.append(
"IntKeys")
2193 _value_types.append(
"IntKey")
2197 _plural_types.append(
"IntsKeys")
2198 _value_types.append(
"IntsKey")
2202 _plural_types.append(
"StringKeys")
2203 _value_types.append(
"StringKey")
2206 ParticleIndexKeys=list
2207 _plural_types.append(
"ParticleIndexKeys")
2208 _value_types.append(
"ParticleIndexKey")
2211 ParticleIndexesKeys=list
2212 _plural_types.append(
"ParticleIndexesKeys")
2213 _value_types.append(
"ParticleIndexesKey")
2217 _plural_types.append(
"ObjectKeys")
2218 _value_types.append(
"ObjectKey")
2222 _plural_types.append(
"ModelKeys")
2223 _value_types.append(
"ModelKey")
2227 _plural_types.append(
"TriggerKeys")
2228 _value_types.append(
"TriggerKey")
2231 SparseFloatKeys=list
2232 _plural_types.append(
"SparseFloatKeys")
2233 _value_types.append(
"SparseFloatKey")
2237 _plural_types.append(
"SparseIntKeys")
2238 _value_types.append(
"SparseIntKey")
2241 SparseStringKeys=list
2242 _plural_types.append(
"SparseStringKeys")
2243 _value_types.append(
"SparseStringKey")
2246 SparseParticleIndexKeys=list
2247 _plural_types.append(
"SparseParticleIndexKeys")
2248 _value_types.append(
"SparseParticleIndexKey")
2252 _plural_types.append(
"Vector3DKeys")
2253 _value_types.append(
"Vector3DKey")
2257 _plural_types.append(
"Vector4DKeys")
2258 _value_types.append(
"Vector4DKey")
2261 Vector3DDerivKeys=list
2262 _plural_types.append(
"Vector3DDerivKeys")
2263 _value_types.append(
"Vector3DDerivKey")
2266 Vector4DDerivKeys=list
2267 _plural_types.append(
"Vector4DDerivKeys")
2268 _value_types.append(
"Vector4DDerivKey")
2271 _raii_types.append(
"ScopedSetFloatAttribute")
2274 _object_types.append(
"ScoringFunction")
2277 def _object_cast_to_ScoringFunction(o):
2278 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
2279 return _IMP_kernel._object_cast_to_ScoringFunction(o)
2281 _object_types.append(
"ModelObject")
2284 def _object_cast_to_ModelObject(o):
2285 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
2286 return _IMP_kernel._object_cast_to_ModelObject(o)
2288 _object_types.append(
"_RestraintsScoringFunction")
2291 def _object_cast_to__RestraintsScoringFunction(o):
2292 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
2293 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
2295 def _TrivialDecorators(l=[]):
2296 return [_TrivialDecorator(x)
for x
in l]
2297 _plural_types.append(
"_TrivialDecorators")
2300 _value_types.append(
"_TrivialDecorator")
2303 def _TrivialDerivedDecorators(l=[]):
2304 return [_TrivialDerivedDecorator(x)
for x
in l]
2305 _plural_types.append(
"_TrivialDerivedDecorators")
2308 _value_types.append(
"_TrivialDerivedDecorator")
2311 def _TrivialTraitsDecorators(l=[]):
2312 return [_TrivialTraitsDecorator(x)
for x
in l]
2313 _plural_types.append(
"_TrivialTraitsDecorators")
2316 _value_types.append(
"_TrivialTraitsDecorator")
2319 _object_types.append(
"_ConstRestraint")
2322 def _object_cast_to__ConstRestraint(o):
2323 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
2324 return _IMP_kernel._object_cast_to__ConstRestraint(o)
2326 _object_types.append(
"_ConstOptimizer")
2329 def _object_cast_to__ConstOptimizer(o):
2330 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
2331 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
2333 _object_types.append(
"_ConstSingletonScore")
2336 def _object_cast_to__ConstSingletonScore(o):
2337 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
2338 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
2340 _object_types.append(
"_ConstPairScore")
2343 def _object_cast_to__ConstPairScore(o):
2344 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
2345 return _IMP_kernel._object_cast_to__ConstPairScore(o)
2347 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
2349 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2350 __repr__ = _swig_repr
2353 r"""__init__(DependencyGraph self) -> DependencyGraph"""
2354 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
2356 def get_graph(self):
2357 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
2358 return _IMP_kernel.DependencyGraph_get_graph(self)
2361 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2362 return _IMP_kernel.DependencyGraph_get_vertices(self)
2364 def get_vertex_name(self, i):
2365 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
2366 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
2368 def get_in_neighbors(self, v):
2369 r"""get_in_neighbors(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2370 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
2372 def get_out_neighbors(self, v):
2373 r"""get_out_neighbors(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2374 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
2377 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
2378 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
2380 def get_graphviz_string(self):
2381 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
2382 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
2384 def add_edge(self, v0, v1):
2385 r"""add_edge(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v0, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v1)"""
2386 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
2388 def add_vertex(self, l):
2389 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
2390 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
2392 def remove_vertex(self, l):
2393 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
2394 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
2395 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
2398 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
2400 _value_types.append(
"DependencyGraph")
2403 r"""Proxy of C++ IMP::Key< 0 > class."""
2405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2407 def __init__(self, *args):
2409 __init__(FloatKey self) -> FloatKey
2410 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
2411 __init__(FloatKey self, unsigned int i) -> FloatKey
2413 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
2417 r"""add_key(std::string sc) -> unsigned int"""
2418 return _IMP_kernel.FloatKey_add_key(sc)
2421 def get_key_exists(sc):
2422 r"""get_key_exists(std::string sc) -> bool"""
2423 return _IMP_kernel.FloatKey_get_key_exists(sc)
2425 def get_string(self):
2426 r"""get_string(FloatKey self) -> std::string const"""
2427 return _IMP_kernel.FloatKey_get_string(self)
2429 def __cmp__(self, o):
2430 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
2431 return _IMP_kernel.FloatKey___cmp__(self, o)
2433 def __eq__(self, o):
2434 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
2435 return _IMP_kernel.FloatKey___eq__(self, o)
2437 def __ne__(self, o):
2438 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
2439 return _IMP_kernel.FloatKey___ne__(self, o)
2441 def __lt__(self, o):
2442 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
2443 return _IMP_kernel.FloatKey___lt__(self, o)
2445 def __gt__(self, o):
2446 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
2447 return _IMP_kernel.FloatKey___gt__(self, o)
2449 def __ge__(self, o):
2450 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
2451 return _IMP_kernel.FloatKey___ge__(self, o)
2453 def __le__(self, o):
2454 r"""__le__(FloatKey self, FloatKey o) -> bool"""
2455 return _IMP_kernel.FloatKey___le__(self, o)
2458 r"""__hash__(FloatKey self) -> std::size_t"""
2459 return _IMP_kernel.FloatKey___hash__(self)
2461 def show(self, *args):
2462 r"""show(FloatKey self, _ostream out=std::cout)"""
2463 return _IMP_kernel.FloatKey_show(self, *args)
2466 def add_alias(old_key, new_name):
2467 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
2468 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
2471 def get_number_of_keys():
2472 r"""get_number_of_keys() -> unsigned int"""
2473 return _IMP_kernel.FloatKey_get_number_of_keys()
2476 r"""get_index(FloatKey self) -> unsigned int"""
2477 return _IMP_kernel.FloatKey_get_index(self)
2481 r"""show_all(_ostream out)"""
2482 return _IMP_kernel.FloatKey_show_all(out)
2485 def get_all_strings():
2486 r"""get_all_strings() -> IMP::Vector< std::string >"""
2487 return _IMP_kernel.FloatKey_get_all_strings()
2490 def get_number_unique():
2491 r"""get_number_unique() -> unsigned int"""
2492 return _IMP_kernel.FloatKey_get_number_unique()
2495 r"""__str__(FloatKey self) -> std::string"""
2496 return _IMP_kernel.FloatKey___str__(self)
2499 r"""__repr__(FloatKey self) -> std::string"""
2500 return _IMP_kernel.FloatKey___repr__(self)
2501 __swig_destroy__ = _IMP_kernel.delete_FloatKey
2504 _IMP_kernel.FloatKey_swigregister(FloatKey)
2506 r"""Proxy of C++ IMP::Key< 1 > class."""
2508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2510 def __init__(self, *args):
2512 __init__(IntKey self) -> IntKey
2513 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
2514 __init__(IntKey self, unsigned int i) -> IntKey
2516 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
2520 r"""add_key(std::string sc) -> unsigned int"""
2521 return _IMP_kernel.IntKey_add_key(sc)
2524 def get_key_exists(sc):
2525 r"""get_key_exists(std::string sc) -> bool"""
2526 return _IMP_kernel.IntKey_get_key_exists(sc)
2528 def get_string(self):
2529 r"""get_string(IntKey self) -> std::string const"""
2530 return _IMP_kernel.IntKey_get_string(self)
2532 def __cmp__(self, o):
2533 r"""__cmp__(IntKey self, IntKey o) -> int"""
2534 return _IMP_kernel.IntKey___cmp__(self, o)
2536 def __eq__(self, o):
2537 r"""__eq__(IntKey self, IntKey o) -> bool"""
2538 return _IMP_kernel.IntKey___eq__(self, o)
2540 def __ne__(self, o):
2541 r"""__ne__(IntKey self, IntKey o) -> bool"""
2542 return _IMP_kernel.IntKey___ne__(self, o)
2544 def __lt__(self, o):
2545 r"""__lt__(IntKey self, IntKey o) -> bool"""
2546 return _IMP_kernel.IntKey___lt__(self, o)
2548 def __gt__(self, o):
2549 r"""__gt__(IntKey self, IntKey o) -> bool"""
2550 return _IMP_kernel.IntKey___gt__(self, o)
2552 def __ge__(self, o):
2553 r"""__ge__(IntKey self, IntKey o) -> bool"""
2554 return _IMP_kernel.IntKey___ge__(self, o)
2556 def __le__(self, o):
2557 r"""__le__(IntKey self, IntKey o) -> bool"""
2558 return _IMP_kernel.IntKey___le__(self, o)
2561 r"""__hash__(IntKey self) -> std::size_t"""
2562 return _IMP_kernel.IntKey___hash__(self)
2564 def show(self, *args):
2565 r"""show(IntKey self, _ostream out=std::cout)"""
2566 return _IMP_kernel.IntKey_show(self, *args)
2569 def add_alias(old_key, new_name):
2570 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2571 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2574 def get_number_of_keys():
2575 r"""get_number_of_keys() -> unsigned int"""
2576 return _IMP_kernel.IntKey_get_number_of_keys()
2579 r"""get_index(IntKey self) -> unsigned int"""
2580 return _IMP_kernel.IntKey_get_index(self)
2584 r"""show_all(_ostream out)"""
2585 return _IMP_kernel.IntKey_show_all(out)
2588 def get_all_strings():
2589 r"""get_all_strings() -> IMP::Vector< std::string >"""
2590 return _IMP_kernel.IntKey_get_all_strings()
2593 def get_number_unique():
2594 r"""get_number_unique() -> unsigned int"""
2595 return _IMP_kernel.IntKey_get_number_unique()
2598 r"""__str__(IntKey self) -> std::string"""
2599 return _IMP_kernel.IntKey___str__(self)
2602 r"""__repr__(IntKey self) -> std::string"""
2603 return _IMP_kernel.IntKey___repr__(self)
2604 __swig_destroy__ = _IMP_kernel.delete_IntKey
2607 _IMP_kernel.IntKey_swigregister(IntKey)
2609 r"""Proxy of C++ IMP::Key< 2 > class."""
2611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2613 def __init__(self, *args):
2615 __init__(StringKey self) -> StringKey
2616 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2617 __init__(StringKey self, unsigned int i) -> StringKey
2619 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2623 r"""add_key(std::string sc) -> unsigned int"""
2624 return _IMP_kernel.StringKey_add_key(sc)
2627 def get_key_exists(sc):
2628 r"""get_key_exists(std::string sc) -> bool"""
2629 return _IMP_kernel.StringKey_get_key_exists(sc)
2631 def get_string(self):
2632 r"""get_string(StringKey self) -> std::string const"""
2633 return _IMP_kernel.StringKey_get_string(self)
2635 def __cmp__(self, o):
2636 r"""__cmp__(StringKey self, StringKey o) -> int"""
2637 return _IMP_kernel.StringKey___cmp__(self, o)
2639 def __eq__(self, o):
2640 r"""__eq__(StringKey self, StringKey o) -> bool"""
2641 return _IMP_kernel.StringKey___eq__(self, o)
2643 def __ne__(self, o):
2644 r"""__ne__(StringKey self, StringKey o) -> bool"""
2645 return _IMP_kernel.StringKey___ne__(self, o)
2647 def __lt__(self, o):
2648 r"""__lt__(StringKey self, StringKey o) -> bool"""
2649 return _IMP_kernel.StringKey___lt__(self, o)
2651 def __gt__(self, o):
2652 r"""__gt__(StringKey self, StringKey o) -> bool"""
2653 return _IMP_kernel.StringKey___gt__(self, o)
2655 def __ge__(self, o):
2656 r"""__ge__(StringKey self, StringKey o) -> bool"""
2657 return _IMP_kernel.StringKey___ge__(self, o)
2659 def __le__(self, o):
2660 r"""__le__(StringKey self, StringKey o) -> bool"""
2661 return _IMP_kernel.StringKey___le__(self, o)
2664 r"""__hash__(StringKey self) -> std::size_t"""
2665 return _IMP_kernel.StringKey___hash__(self)
2667 def show(self, *args):
2668 r"""show(StringKey self, _ostream out=std::cout)"""
2669 return _IMP_kernel.StringKey_show(self, *args)
2672 def add_alias(old_key, new_name):
2673 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2674 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2677 def get_number_of_keys():
2678 r"""get_number_of_keys() -> unsigned int"""
2679 return _IMP_kernel.StringKey_get_number_of_keys()
2682 r"""get_index(StringKey self) -> unsigned int"""
2683 return _IMP_kernel.StringKey_get_index(self)
2687 r"""show_all(_ostream out)"""
2688 return _IMP_kernel.StringKey_show_all(out)
2691 def get_all_strings():
2692 r"""get_all_strings() -> IMP::Vector< std::string >"""
2693 return _IMP_kernel.StringKey_get_all_strings()
2696 def get_number_unique():
2697 r"""get_number_unique() -> unsigned int"""
2698 return _IMP_kernel.StringKey_get_number_unique()
2701 r"""__str__(StringKey self) -> std::string"""
2702 return _IMP_kernel.StringKey___str__(self)
2705 r"""__repr__(StringKey self) -> std::string"""
2706 return _IMP_kernel.StringKey___repr__(self)
2707 __swig_destroy__ = _IMP_kernel.delete_StringKey
2710 _IMP_kernel.StringKey_swigregister(StringKey)
2712 r"""Proxy of C++ IMP::Key< 3 > class."""
2714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2716 def __init__(self, *args):
2718 __init__(ParticleIndexKey self) -> ParticleIndexKey
2719 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2720 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2722 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2726 r"""add_key(std::string sc) -> unsigned int"""
2727 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2730 def get_key_exists(sc):
2731 r"""get_key_exists(std::string sc) -> bool"""
2732 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2734 def get_string(self):
2735 r"""get_string(ParticleIndexKey self) -> std::string const"""
2736 return _IMP_kernel.ParticleIndexKey_get_string(self)
2738 def __cmp__(self, o):
2739 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2740 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2742 def __eq__(self, o):
2743 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2744 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2746 def __ne__(self, o):
2747 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2748 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2750 def __lt__(self, o):
2751 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2752 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2754 def __gt__(self, o):
2755 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2756 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2758 def __ge__(self, o):
2759 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2760 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2762 def __le__(self, o):
2763 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2764 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2767 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2768 return _IMP_kernel.ParticleIndexKey___hash__(self)
2770 def show(self, *args):
2771 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2772 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2775 def add_alias(old_key, new_name):
2776 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2777 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2780 def get_number_of_keys():
2781 r"""get_number_of_keys() -> unsigned int"""
2782 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2785 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2786 return _IMP_kernel.ParticleIndexKey_get_index(self)
2790 r"""show_all(_ostream out)"""
2791 return _IMP_kernel.ParticleIndexKey_show_all(out)
2794 def get_all_strings():
2795 r"""get_all_strings() -> IMP::Vector< std::string >"""
2796 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2799 def get_number_unique():
2800 r"""get_number_unique() -> unsigned int"""
2801 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2804 r"""__str__(ParticleIndexKey self) -> std::string"""
2805 return _IMP_kernel.ParticleIndexKey___str__(self)
2808 r"""__repr__(ParticleIndexKey self) -> std::string"""
2809 return _IMP_kernel.ParticleIndexKey___repr__(self)
2810 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2813 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2815 r"""Proxy of C++ IMP::Key< 4 > class."""
2817 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2819 def __init__(self, *args):
2821 __init__(ObjectKey self) -> ObjectKey
2822 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2823 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2825 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2829 r"""add_key(std::string sc) -> unsigned int"""
2830 return _IMP_kernel.ObjectKey_add_key(sc)
2833 def get_key_exists(sc):
2834 r"""get_key_exists(std::string sc) -> bool"""
2835 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2837 def get_string(self):
2838 r"""get_string(ObjectKey self) -> std::string const"""
2839 return _IMP_kernel.ObjectKey_get_string(self)
2841 def __cmp__(self, o):
2842 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2843 return _IMP_kernel.ObjectKey___cmp__(self, o)
2845 def __eq__(self, o):
2846 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2847 return _IMP_kernel.ObjectKey___eq__(self, o)
2849 def __ne__(self, o):
2850 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2851 return _IMP_kernel.ObjectKey___ne__(self, o)
2853 def __lt__(self, o):
2854 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2855 return _IMP_kernel.ObjectKey___lt__(self, o)
2857 def __gt__(self, o):
2858 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2859 return _IMP_kernel.ObjectKey___gt__(self, o)
2861 def __ge__(self, o):
2862 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2863 return _IMP_kernel.ObjectKey___ge__(self, o)
2865 def __le__(self, o):
2866 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2867 return _IMP_kernel.ObjectKey___le__(self, o)
2870 r"""__hash__(ObjectKey self) -> std::size_t"""
2871 return _IMP_kernel.ObjectKey___hash__(self)
2873 def show(self, *args):
2874 r"""show(ObjectKey self, _ostream out=std::cout)"""
2875 return _IMP_kernel.ObjectKey_show(self, *args)
2878 def add_alias(old_key, new_name):
2879 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2880 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2883 def get_number_of_keys():
2884 r"""get_number_of_keys() -> unsigned int"""
2885 return _IMP_kernel.ObjectKey_get_number_of_keys()
2888 r"""get_index(ObjectKey self) -> unsigned int"""
2889 return _IMP_kernel.ObjectKey_get_index(self)
2893 r"""show_all(_ostream out)"""
2894 return _IMP_kernel.ObjectKey_show_all(out)
2897 def get_all_strings():
2898 r"""get_all_strings() -> IMP::Vector< std::string >"""
2899 return _IMP_kernel.ObjectKey_get_all_strings()
2902 def get_number_unique():
2903 r"""get_number_unique() -> unsigned int"""
2904 return _IMP_kernel.ObjectKey_get_number_unique()
2907 r"""__str__(ObjectKey self) -> std::string"""
2908 return _IMP_kernel.ObjectKey___str__(self)
2911 r"""__repr__(ObjectKey self) -> std::string"""
2912 return _IMP_kernel.ObjectKey___repr__(self)
2913 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2916 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2918 r"""Proxy of C++ IMP::Key< 5 > class."""
2920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2922 def __init__(self, *args):
2924 __init__(IntsKey self) -> IntsKey
2925 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2926 __init__(IntsKey self, unsigned int i) -> IntsKey
2928 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2932 r"""add_key(std::string sc) -> unsigned int"""
2933 return _IMP_kernel.IntsKey_add_key(sc)
2936 def get_key_exists(sc):
2937 r"""get_key_exists(std::string sc) -> bool"""
2938 return _IMP_kernel.IntsKey_get_key_exists(sc)
2940 def get_string(self):
2941 r"""get_string(IntsKey self) -> std::string const"""
2942 return _IMP_kernel.IntsKey_get_string(self)
2944 def __cmp__(self, o):
2945 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2946 return _IMP_kernel.IntsKey___cmp__(self, o)
2948 def __eq__(self, o):
2949 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2950 return _IMP_kernel.IntsKey___eq__(self, o)
2952 def __ne__(self, o):
2953 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2954 return _IMP_kernel.IntsKey___ne__(self, o)
2956 def __lt__(self, o):
2957 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2958 return _IMP_kernel.IntsKey___lt__(self, o)
2960 def __gt__(self, o):
2961 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2962 return _IMP_kernel.IntsKey___gt__(self, o)
2964 def __ge__(self, o):
2965 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2966 return _IMP_kernel.IntsKey___ge__(self, o)
2968 def __le__(self, o):
2969 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2970 return _IMP_kernel.IntsKey___le__(self, o)
2973 r"""__hash__(IntsKey self) -> std::size_t"""
2974 return _IMP_kernel.IntsKey___hash__(self)
2976 def show(self, *args):
2977 r"""show(IntsKey self, _ostream out=std::cout)"""
2978 return _IMP_kernel.IntsKey_show(self, *args)
2981 def add_alias(old_key, new_name):
2982 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2983 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2986 def get_number_of_keys():
2987 r"""get_number_of_keys() -> unsigned int"""
2988 return _IMP_kernel.IntsKey_get_number_of_keys()
2991 r"""get_index(IntsKey self) -> unsigned int"""
2992 return _IMP_kernel.IntsKey_get_index(self)
2996 r"""show_all(_ostream out)"""
2997 return _IMP_kernel.IntsKey_show_all(out)
3000 def get_all_strings():
3001 r"""get_all_strings() -> IMP::Vector< std::string >"""
3002 return _IMP_kernel.IntsKey_get_all_strings()
3005 def get_number_unique():
3006 r"""get_number_unique() -> unsigned int"""
3007 return _IMP_kernel.IntsKey_get_number_unique()
3010 r"""__str__(IntsKey self) -> std::string"""
3011 return _IMP_kernel.IntsKey___str__(self)
3014 r"""__repr__(IntsKey self) -> std::string"""
3015 return _IMP_kernel.IntsKey___repr__(self)
3016 __swig_destroy__ = _IMP_kernel.delete_IntsKey
3019 _IMP_kernel.IntsKey_swigregister(IntsKey)
3021 r"""Proxy of C++ IMP::Key< 6 > class."""
3023 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3025 def __init__(self, *args):
3027 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
3028 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
3029 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
3031 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
3035 r"""add_key(std::string sc) -> unsigned int"""
3036 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
3039 def get_key_exists(sc):
3040 r"""get_key_exists(std::string sc) -> bool"""
3041 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
3043 def get_string(self):
3044 r"""get_string(ParticleIndexesKey self) -> std::string const"""
3045 return _IMP_kernel.ParticleIndexesKey_get_string(self)
3047 def __cmp__(self, o):
3048 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
3049 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
3051 def __eq__(self, o):
3052 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3053 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
3055 def __ne__(self, o):
3056 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3057 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
3059 def __lt__(self, o):
3060 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3061 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
3063 def __gt__(self, o):
3064 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3065 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
3067 def __ge__(self, o):
3068 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3069 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
3071 def __le__(self, o):
3072 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3073 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
3076 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
3077 return _IMP_kernel.ParticleIndexesKey___hash__(self)
3079 def show(self, *args):
3080 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
3081 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
3084 def add_alias(old_key, new_name):
3085 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
3086 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
3089 def get_number_of_keys():
3090 r"""get_number_of_keys() -> unsigned int"""
3091 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
3094 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
3095 return _IMP_kernel.ParticleIndexesKey_get_index(self)
3099 r"""show_all(_ostream out)"""
3100 return _IMP_kernel.ParticleIndexesKey_show_all(out)
3103 def get_all_strings():
3104 r"""get_all_strings() -> IMP::Vector< std::string >"""
3105 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
3108 def get_number_unique():
3109 r"""get_number_unique() -> unsigned int"""
3110 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
3113 r"""__str__(ParticleIndexesKey self) -> std::string"""
3114 return _IMP_kernel.ParticleIndexesKey___str__(self)
3117 r"""__repr__(ParticleIndexesKey self) -> std::string"""
3118 return _IMP_kernel.ParticleIndexesKey___repr__(self)
3119 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
3122 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
3124 r"""Proxy of C++ IMP::Key< 8 > class."""
3126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3128 def __init__(self, *args):
3130 __init__(ModelKey self) -> ModelKey
3131 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
3132 __init__(ModelKey self, unsigned int i) -> ModelKey
3134 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
3138 r"""add_key(std::string sc) -> unsigned int"""
3139 return _IMP_kernel.ModelKey_add_key(sc)
3142 def get_key_exists(sc):
3143 r"""get_key_exists(std::string sc) -> bool"""
3144 return _IMP_kernel.ModelKey_get_key_exists(sc)
3146 def get_string(self):
3147 r"""get_string(ModelKey self) -> std::string const"""
3148 return _IMP_kernel.ModelKey_get_string(self)
3150 def __cmp__(self, o):
3151 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
3152 return _IMP_kernel.ModelKey___cmp__(self, o)
3154 def __eq__(self, o):
3155 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
3156 return _IMP_kernel.ModelKey___eq__(self, o)
3158 def __ne__(self, o):
3159 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
3160 return _IMP_kernel.ModelKey___ne__(self, o)
3162 def __lt__(self, o):
3163 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
3164 return _IMP_kernel.ModelKey___lt__(self, o)
3166 def __gt__(self, o):
3167 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
3168 return _IMP_kernel.ModelKey___gt__(self, o)
3170 def __ge__(self, o):
3171 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
3172 return _IMP_kernel.ModelKey___ge__(self, o)
3174 def __le__(self, o):
3175 r"""__le__(ModelKey self, ModelKey o) -> bool"""
3176 return _IMP_kernel.ModelKey___le__(self, o)
3179 r"""__hash__(ModelKey self) -> std::size_t"""
3180 return _IMP_kernel.ModelKey___hash__(self)
3182 def show(self, *args):
3183 r"""show(ModelKey self, _ostream out=std::cout)"""
3184 return _IMP_kernel.ModelKey_show(self, *args)
3187 def add_alias(old_key, new_name):
3188 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
3189 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
3192 def get_number_of_keys():
3193 r"""get_number_of_keys() -> unsigned int"""
3194 return _IMP_kernel.ModelKey_get_number_of_keys()
3197 r"""get_index(ModelKey self) -> unsigned int"""
3198 return _IMP_kernel.ModelKey_get_index(self)
3202 r"""show_all(_ostream out)"""
3203 return _IMP_kernel.ModelKey_show_all(out)
3206 def get_all_strings():
3207 r"""get_all_strings() -> IMP::Vector< std::string >"""
3208 return _IMP_kernel.ModelKey_get_all_strings()
3211 def get_number_unique():
3212 r"""get_number_unique() -> unsigned int"""
3213 return _IMP_kernel.ModelKey_get_number_unique()
3216 r"""__str__(ModelKey self) -> std::string"""
3217 return _IMP_kernel.ModelKey___str__(self)
3220 r"""__repr__(ModelKey self) -> std::string"""
3221 return _IMP_kernel.ModelKey___repr__(self)
3222 __swig_destroy__ = _IMP_kernel.delete_ModelKey
3225 _IMP_kernel.ModelKey_swigregister(ModelKey)
3227 r"""Proxy of C++ IMP::Key< 11 > class."""
3229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3231 def __init__(self, *args):
3233 __init__(TriggerKey self) -> TriggerKey
3234 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
3235 __init__(TriggerKey self, unsigned int i) -> TriggerKey
3237 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
3241 r"""add_key(std::string sc) -> unsigned int"""
3242 return _IMP_kernel.TriggerKey_add_key(sc)
3245 def get_key_exists(sc):
3246 r"""get_key_exists(std::string sc) -> bool"""
3247 return _IMP_kernel.TriggerKey_get_key_exists(sc)
3249 def get_string(self):
3250 r"""get_string(TriggerKey self) -> std::string const"""
3251 return _IMP_kernel.TriggerKey_get_string(self)
3253 def __cmp__(self, o):
3254 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
3255 return _IMP_kernel.TriggerKey___cmp__(self, o)
3257 def __eq__(self, o):
3258 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
3259 return _IMP_kernel.TriggerKey___eq__(self, o)
3261 def __ne__(self, o):
3262 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
3263 return _IMP_kernel.TriggerKey___ne__(self, o)
3265 def __lt__(self, o):
3266 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
3267 return _IMP_kernel.TriggerKey___lt__(self, o)
3269 def __gt__(self, o):
3270 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
3271 return _IMP_kernel.TriggerKey___gt__(self, o)
3273 def __ge__(self, o):
3274 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
3275 return _IMP_kernel.TriggerKey___ge__(self, o)
3277 def __le__(self, o):
3278 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
3279 return _IMP_kernel.TriggerKey___le__(self, o)
3282 r"""__hash__(TriggerKey self) -> std::size_t"""
3283 return _IMP_kernel.TriggerKey___hash__(self)
3285 def show(self, *args):
3286 r"""show(TriggerKey self, _ostream out=std::cout)"""
3287 return _IMP_kernel.TriggerKey_show(self, *args)
3290 def add_alias(old_key, new_name):
3291 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
3292 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
3295 def get_number_of_keys():
3296 r"""get_number_of_keys() -> unsigned int"""
3297 return _IMP_kernel.TriggerKey_get_number_of_keys()
3300 r"""get_index(TriggerKey self) -> unsigned int"""
3301 return _IMP_kernel.TriggerKey_get_index(self)
3305 r"""show_all(_ostream out)"""
3306 return _IMP_kernel.TriggerKey_show_all(out)
3309 def get_all_strings():
3310 r"""get_all_strings() -> IMP::Vector< std::string >"""
3311 return _IMP_kernel.TriggerKey_get_all_strings()
3314 def get_number_unique():
3315 r"""get_number_unique() -> unsigned int"""
3316 return _IMP_kernel.TriggerKey_get_number_unique()
3319 r"""__str__(TriggerKey self) -> std::string"""
3320 return _IMP_kernel.TriggerKey___str__(self)
3323 r"""__repr__(TriggerKey self) -> std::string"""
3324 return _IMP_kernel.TriggerKey___repr__(self)
3325 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
3328 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
3330 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
3332 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3334 def __init__(self, *args):
3336 __init__(ParticleIndex self, int i) -> ParticleIndex
3337 __init__(ParticleIndex self) -> ParticleIndex
3339 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
3342 r"""get_index(ParticleIndex self) -> int"""
3343 return _IMP_kernel.ParticleIndex_get_index(self)
3345 def __cmp__(self, o):
3346 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
3347 return _IMP_kernel.ParticleIndex___cmp__(self, o)
3349 def __eq__(self, o):
3350 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
3351 return _IMP_kernel.ParticleIndex___eq__(self, o)
3353 def __ne__(self, o):
3354 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
3355 return _IMP_kernel.ParticleIndex___ne__(self, o)
3357 def __lt__(self, o):
3358 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
3359 return _IMP_kernel.ParticleIndex___lt__(self, o)
3361 def __gt__(self, o):
3362 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
3363 return _IMP_kernel.ParticleIndex___gt__(self, o)
3365 def __ge__(self, o):
3366 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
3367 return _IMP_kernel.ParticleIndex___ge__(self, o)
3369 def __le__(self, o):
3370 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
3371 return _IMP_kernel.ParticleIndex___le__(self, o)
3373 def show(self, *args):
3374 r"""show(ParticleIndex self, _ostream out=std::cout)"""
3375 return _IMP_kernel.ParticleIndex_show(self, *args)
3378 r"""__hash__(ParticleIndex self) -> std::size_t"""
3379 return _IMP_kernel.ParticleIndex___hash__(self)
3382 r"""__str__(ParticleIndex self) -> std::string"""
3383 return _IMP_kernel.ParticleIndex___str__(self)
3386 r"""__repr__(ParticleIndex self) -> std::string"""
3387 return _IMP_kernel.ParticleIndex___repr__(self)
3388 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
3391 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
3393 r"""Proxy of C++ IMP::Key< 10 > class."""
3395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3397 def __init__(self, *args):
3399 __init__(FloatsKey self) -> FloatsKey
3400 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
3401 __init__(FloatsKey self, unsigned int i) -> FloatsKey
3403 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
3407 r"""add_key(std::string sc) -> unsigned int"""
3408 return _IMP_kernel.FloatsKey_add_key(sc)
3411 def get_key_exists(sc):
3412 r"""get_key_exists(std::string sc) -> bool"""
3413 return _IMP_kernel.FloatsKey_get_key_exists(sc)
3415 def get_string(self):
3416 r"""get_string(FloatsKey self) -> std::string const"""
3417 return _IMP_kernel.FloatsKey_get_string(self)
3419 def __cmp__(self, o):
3420 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
3421 return _IMP_kernel.FloatsKey___cmp__(self, o)
3423 def __eq__(self, o):
3424 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
3425 return _IMP_kernel.FloatsKey___eq__(self, o)
3427 def __ne__(self, o):
3428 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
3429 return _IMP_kernel.FloatsKey___ne__(self, o)
3431 def __lt__(self, o):
3432 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
3433 return _IMP_kernel.FloatsKey___lt__(self, o)
3435 def __gt__(self, o):
3436 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
3437 return _IMP_kernel.FloatsKey___gt__(self, o)
3439 def __ge__(self, o):
3440 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
3441 return _IMP_kernel.FloatsKey___ge__(self, o)
3443 def __le__(self, o):
3444 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
3445 return _IMP_kernel.FloatsKey___le__(self, o)
3448 r"""__hash__(FloatsKey self) -> std::size_t"""
3449 return _IMP_kernel.FloatsKey___hash__(self)
3451 def show(self, *args):
3452 r"""show(FloatsKey self, _ostream out=std::cout)"""
3453 return _IMP_kernel.FloatsKey_show(self, *args)
3456 def add_alias(old_key, new_name):
3457 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
3458 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
3461 def get_number_of_keys():
3462 r"""get_number_of_keys() -> unsigned int"""
3463 return _IMP_kernel.FloatsKey_get_number_of_keys()
3466 r"""get_index(FloatsKey self) -> unsigned int"""
3467 return _IMP_kernel.FloatsKey_get_index(self)
3471 r"""show_all(_ostream out)"""
3472 return _IMP_kernel.FloatsKey_show_all(out)
3475 def get_all_strings():
3476 r"""get_all_strings() -> IMP::Vector< std::string >"""
3477 return _IMP_kernel.FloatsKey_get_all_strings()
3480 def get_number_unique():
3481 r"""get_number_unique() -> unsigned int"""
3482 return _IMP_kernel.FloatsKey_get_number_unique()
3485 r"""__str__(FloatsKey self) -> std::string"""
3486 return _IMP_kernel.FloatsKey___str__(self)
3489 r"""__repr__(FloatsKey self) -> std::string"""
3490 return _IMP_kernel.FloatsKey___repr__(self)
3491 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
3494 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
3496 r"""Proxy of C++ IMP::Key< 12 > class."""
3498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3500 def __init__(self, *args):
3502 __init__(SparseStringKey self) -> SparseStringKey
3503 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
3504 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
3506 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
3510 r"""add_key(std::string sc) -> unsigned int"""
3511 return _IMP_kernel.SparseStringKey_add_key(sc)
3514 def get_key_exists(sc):
3515 r"""get_key_exists(std::string sc) -> bool"""
3516 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
3518 def get_string(self):
3519 r"""get_string(SparseStringKey self) -> std::string const"""
3520 return _IMP_kernel.SparseStringKey_get_string(self)
3522 def __cmp__(self, o):
3523 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3524 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3526 def __eq__(self, o):
3527 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3528 return _IMP_kernel.SparseStringKey___eq__(self, o)
3530 def __ne__(self, o):
3531 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3532 return _IMP_kernel.SparseStringKey___ne__(self, o)
3534 def __lt__(self, o):
3535 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3536 return _IMP_kernel.SparseStringKey___lt__(self, o)
3538 def __gt__(self, o):
3539 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3540 return _IMP_kernel.SparseStringKey___gt__(self, o)
3542 def __ge__(self, o):
3543 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3544 return _IMP_kernel.SparseStringKey___ge__(self, o)
3546 def __le__(self, o):
3547 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3548 return _IMP_kernel.SparseStringKey___le__(self, o)
3551 r"""__hash__(SparseStringKey self) -> std::size_t"""
3552 return _IMP_kernel.SparseStringKey___hash__(self)
3554 def show(self, *args):
3555 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3556 return _IMP_kernel.SparseStringKey_show(self, *args)
3559 def add_alias(old_key, new_name):
3560 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3561 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3564 def get_number_of_keys():
3565 r"""get_number_of_keys() -> unsigned int"""
3566 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3569 r"""get_index(SparseStringKey self) -> unsigned int"""
3570 return _IMP_kernel.SparseStringKey_get_index(self)
3574 r"""show_all(_ostream out)"""
3575 return _IMP_kernel.SparseStringKey_show_all(out)
3578 def get_all_strings():
3579 r"""get_all_strings() -> IMP::Vector< std::string >"""
3580 return _IMP_kernel.SparseStringKey_get_all_strings()
3583 def get_number_unique():
3584 r"""get_number_unique() -> unsigned int"""
3585 return _IMP_kernel.SparseStringKey_get_number_unique()
3588 r"""__str__(SparseStringKey self) -> std::string"""
3589 return _IMP_kernel.SparseStringKey___str__(self)
3592 r"""__repr__(SparseStringKey self) -> std::string"""
3593 return _IMP_kernel.SparseStringKey___repr__(self)
3594 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3597 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3599 r"""Proxy of C++ IMP::Key< 13 > class."""
3601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3603 def __init__(self, *args):
3605 __init__(SparseIntKey self) -> SparseIntKey
3606 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3607 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3609 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3613 r"""add_key(std::string sc) -> unsigned int"""
3614 return _IMP_kernel.SparseIntKey_add_key(sc)
3617 def get_key_exists(sc):
3618 r"""get_key_exists(std::string sc) -> bool"""
3619 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3621 def get_string(self):
3622 r"""get_string(SparseIntKey self) -> std::string const"""
3623 return _IMP_kernel.SparseIntKey_get_string(self)
3625 def __cmp__(self, o):
3626 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3627 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3629 def __eq__(self, o):
3630 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3631 return _IMP_kernel.SparseIntKey___eq__(self, o)
3633 def __ne__(self, o):
3634 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3635 return _IMP_kernel.SparseIntKey___ne__(self, o)
3637 def __lt__(self, o):
3638 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3639 return _IMP_kernel.SparseIntKey___lt__(self, o)
3641 def __gt__(self, o):
3642 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3643 return _IMP_kernel.SparseIntKey___gt__(self, o)
3645 def __ge__(self, o):
3646 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3647 return _IMP_kernel.SparseIntKey___ge__(self, o)
3649 def __le__(self, o):
3650 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3651 return _IMP_kernel.SparseIntKey___le__(self, o)
3654 r"""__hash__(SparseIntKey self) -> std::size_t"""
3655 return _IMP_kernel.SparseIntKey___hash__(self)
3657 def show(self, *args):
3658 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3659 return _IMP_kernel.SparseIntKey_show(self, *args)
3662 def add_alias(old_key, new_name):
3663 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3664 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3667 def get_number_of_keys():
3668 r"""get_number_of_keys() -> unsigned int"""
3669 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3672 r"""get_index(SparseIntKey self) -> unsigned int"""
3673 return _IMP_kernel.SparseIntKey_get_index(self)
3677 r"""show_all(_ostream out)"""
3678 return _IMP_kernel.SparseIntKey_show_all(out)
3681 def get_all_strings():
3682 r"""get_all_strings() -> IMP::Vector< std::string >"""
3683 return _IMP_kernel.SparseIntKey_get_all_strings()
3686 def get_number_unique():
3687 r"""get_number_unique() -> unsigned int"""
3688 return _IMP_kernel.SparseIntKey_get_number_unique()
3691 r"""__str__(SparseIntKey self) -> std::string"""
3692 return _IMP_kernel.SparseIntKey___str__(self)
3695 r"""__repr__(SparseIntKey self) -> std::string"""
3696 return _IMP_kernel.SparseIntKey___repr__(self)
3697 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3700 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3702 r"""Proxy of C++ IMP::Key< 14 > class."""
3704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3706 def __init__(self, *args):
3708 __init__(SparseFloatKey self) -> SparseFloatKey
3709 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3710 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3712 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3716 r"""add_key(std::string sc) -> unsigned int"""
3717 return _IMP_kernel.SparseFloatKey_add_key(sc)
3720 def get_key_exists(sc):
3721 r"""get_key_exists(std::string sc) -> bool"""
3722 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3724 def get_string(self):
3725 r"""get_string(SparseFloatKey self) -> std::string const"""
3726 return _IMP_kernel.SparseFloatKey_get_string(self)
3728 def __cmp__(self, o):
3729 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3730 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3732 def __eq__(self, o):
3733 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3734 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3736 def __ne__(self, o):
3737 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3738 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3740 def __lt__(self, o):
3741 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3742 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3744 def __gt__(self, o):
3745 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3746 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3748 def __ge__(self, o):
3749 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3750 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3752 def __le__(self, o):
3753 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3754 return _IMP_kernel.SparseFloatKey___le__(self, o)
3757 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3758 return _IMP_kernel.SparseFloatKey___hash__(self)
3760 def show(self, *args):
3761 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3762 return _IMP_kernel.SparseFloatKey_show(self, *args)
3765 def add_alias(old_key, new_name):
3766 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3767 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3770 def get_number_of_keys():
3771 r"""get_number_of_keys() -> unsigned int"""
3772 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3775 r"""get_index(SparseFloatKey self) -> unsigned int"""
3776 return _IMP_kernel.SparseFloatKey_get_index(self)
3780 r"""show_all(_ostream out)"""
3781 return _IMP_kernel.SparseFloatKey_show_all(out)
3784 def get_all_strings():
3785 r"""get_all_strings() -> IMP::Vector< std::string >"""
3786 return _IMP_kernel.SparseFloatKey_get_all_strings()
3789 def get_number_unique():
3790 r"""get_number_unique() -> unsigned int"""
3791 return _IMP_kernel.SparseFloatKey_get_number_unique()
3794 r"""__str__(SparseFloatKey self) -> std::string"""
3795 return _IMP_kernel.SparseFloatKey___str__(self)
3798 r"""__repr__(SparseFloatKey self) -> std::string"""
3799 return _IMP_kernel.SparseFloatKey___repr__(self)
3800 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3803 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3805 r"""Proxy of C++ IMP::Key< 15 > class."""
3807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3809 def __init__(self, *args):
3811 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3812 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3813 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3815 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3819 r"""add_key(std::string sc) -> unsigned int"""
3820 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3823 def get_key_exists(sc):
3824 r"""get_key_exists(std::string sc) -> bool"""
3825 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3827 def get_string(self):
3828 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3829 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3831 def __cmp__(self, o):
3832 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3833 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3835 def __eq__(self, o):
3836 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3837 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3839 def __ne__(self, o):
3840 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3841 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3843 def __lt__(self, o):
3844 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3845 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3847 def __gt__(self, o):
3848 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3849 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3851 def __ge__(self, o):
3852 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3853 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3855 def __le__(self, o):
3856 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3857 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3860 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3861 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3863 def show(self, *args):
3864 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3865 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3868 def add_alias(old_key, new_name):
3869 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3870 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3873 def get_number_of_keys():
3874 r"""get_number_of_keys() -> unsigned int"""
3875 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3878 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3879 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3883 r"""show_all(_ostream out)"""
3884 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3887 def get_all_strings():
3888 r"""get_all_strings() -> IMP::Vector< std::string >"""
3889 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3892 def get_number_unique():
3893 r"""get_number_unique() -> unsigned int"""
3894 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3897 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3898 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3901 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3902 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3903 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3906 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3908 r"""Proxy of C++ IMP::Key< 16 > class."""
3910 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3912 def __init__(self, *args):
3914 __init__(Vector3DKey self) -> Vector3DKey
3915 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3916 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3918 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3922 r"""add_key(std::string sc) -> unsigned int"""
3923 return _IMP_kernel.Vector3DKey_add_key(sc)
3926 def get_key_exists(sc):
3927 r"""get_key_exists(std::string sc) -> bool"""
3928 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3930 def get_string(self):
3931 r"""get_string(Vector3DKey self) -> std::string const"""
3932 return _IMP_kernel.Vector3DKey_get_string(self)
3934 def __cmp__(self, o):
3935 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3936 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3938 def __eq__(self, o):
3939 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3940 return _IMP_kernel.Vector3DKey___eq__(self, o)
3942 def __ne__(self, o):
3943 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3944 return _IMP_kernel.Vector3DKey___ne__(self, o)
3946 def __lt__(self, o):
3947 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3948 return _IMP_kernel.Vector3DKey___lt__(self, o)
3950 def __gt__(self, o):
3951 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3952 return _IMP_kernel.Vector3DKey___gt__(self, o)
3954 def __ge__(self, o):
3955 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3956 return _IMP_kernel.Vector3DKey___ge__(self, o)
3958 def __le__(self, o):
3959 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3960 return _IMP_kernel.Vector3DKey___le__(self, o)
3963 r"""__hash__(Vector3DKey self) -> std::size_t"""
3964 return _IMP_kernel.Vector3DKey___hash__(self)
3966 def show(self, *args):
3967 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3968 return _IMP_kernel.Vector3DKey_show(self, *args)
3971 def add_alias(old_key, new_name):
3972 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3973 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3976 def get_number_of_keys():
3977 r"""get_number_of_keys() -> unsigned int"""
3978 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3981 r"""get_index(Vector3DKey self) -> unsigned int"""
3982 return _IMP_kernel.Vector3DKey_get_index(self)
3986 r"""show_all(_ostream out)"""
3987 return _IMP_kernel.Vector3DKey_show_all(out)
3990 def get_all_strings():
3991 r"""get_all_strings() -> IMP::Vector< std::string >"""
3992 return _IMP_kernel.Vector3DKey_get_all_strings()
3995 def get_number_unique():
3996 r"""get_number_unique() -> unsigned int"""
3997 return _IMP_kernel.Vector3DKey_get_number_unique()
4000 r"""__str__(Vector3DKey self) -> std::string"""
4001 return _IMP_kernel.Vector3DKey___str__(self)
4004 r"""__repr__(Vector3DKey self) -> std::string"""
4005 return _IMP_kernel.Vector3DKey___repr__(self)
4006 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
4009 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
4011 r"""Proxy of C++ IMP::Key< 17 > class."""
4013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4015 def __init__(self, *args):
4017 __init__(Vector3DDerivKey self) -> Vector3DDerivKey
4018 __init__(Vector3DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DDerivKey
4019 __init__(Vector3DDerivKey self, unsigned int i) -> Vector3DDerivKey
4021 _IMP_kernel.Vector3DDerivKey_swiginit(self, _IMP_kernel.new_Vector3DDerivKey(*args))
4025 r"""add_key(std::string sc) -> unsigned int"""
4026 return _IMP_kernel.Vector3DDerivKey_add_key(sc)
4029 def get_key_exists(sc):
4030 r"""get_key_exists(std::string sc) -> bool"""
4031 return _IMP_kernel.Vector3DDerivKey_get_key_exists(sc)
4033 def get_string(self):
4034 r"""get_string(Vector3DDerivKey self) -> std::string const"""
4035 return _IMP_kernel.Vector3DDerivKey_get_string(self)
4037 def __cmp__(self, o):
4038 r"""__cmp__(Vector3DDerivKey self, Vector3DDerivKey o) -> int"""
4039 return _IMP_kernel.Vector3DDerivKey___cmp__(self, o)
4041 def __eq__(self, o):
4042 r"""__eq__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4043 return _IMP_kernel.Vector3DDerivKey___eq__(self, o)
4045 def __ne__(self, o):
4046 r"""__ne__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4047 return _IMP_kernel.Vector3DDerivKey___ne__(self, o)
4049 def __lt__(self, o):
4050 r"""__lt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4051 return _IMP_kernel.Vector3DDerivKey___lt__(self, o)
4053 def __gt__(self, o):
4054 r"""__gt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4055 return _IMP_kernel.Vector3DDerivKey___gt__(self, o)
4057 def __ge__(self, o):
4058 r"""__ge__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4059 return _IMP_kernel.Vector3DDerivKey___ge__(self, o)
4061 def __le__(self, o):
4062 r"""__le__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4063 return _IMP_kernel.Vector3DDerivKey___le__(self, o)
4066 r"""__hash__(Vector3DDerivKey self) -> std::size_t"""
4067 return _IMP_kernel.Vector3DDerivKey___hash__(self)
4069 def show(self, *args):
4070 r"""show(Vector3DDerivKey self, _ostream out=std::cout)"""
4071 return _IMP_kernel.Vector3DDerivKey_show(self, *args)
4074 def add_alias(old_key, new_name):
4075 r"""add_alias(Vector3DDerivKey old_key, std::string new_name) -> Vector3DDerivKey"""
4076 return _IMP_kernel.Vector3DDerivKey_add_alias(old_key, new_name)
4079 def get_number_of_keys():
4080 r"""get_number_of_keys() -> unsigned int"""
4081 return _IMP_kernel.Vector3DDerivKey_get_number_of_keys()
4084 r"""get_index(Vector3DDerivKey self) -> unsigned int"""
4085 return _IMP_kernel.Vector3DDerivKey_get_index(self)
4089 r"""show_all(_ostream out)"""
4090 return _IMP_kernel.Vector3DDerivKey_show_all(out)
4093 def get_all_strings():
4094 r"""get_all_strings() -> IMP::Vector< std::string >"""
4095 return _IMP_kernel.Vector3DDerivKey_get_all_strings()
4098 def get_number_unique():
4099 r"""get_number_unique() -> unsigned int"""
4100 return _IMP_kernel.Vector3DDerivKey_get_number_unique()
4103 r"""__str__(Vector3DDerivKey self) -> std::string"""
4104 return _IMP_kernel.Vector3DDerivKey___str__(self)
4107 r"""__repr__(Vector3DDerivKey self) -> std::string"""
4108 return _IMP_kernel.Vector3DDerivKey___repr__(self)
4109 __swig_destroy__ = _IMP_kernel.delete_Vector3DDerivKey
4112 _IMP_kernel.Vector3DDerivKey_swigregister(Vector3DDerivKey)
4114 r"""Proxy of C++ IMP::Key< 18 > class."""
4116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4118 def __init__(self, *args):
4120 __init__(Vector4DKey self) -> Vector4DKey
4121 __init__(Vector4DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DKey
4122 __init__(Vector4DKey self, unsigned int i) -> Vector4DKey
4124 _IMP_kernel.Vector4DKey_swiginit(self, _IMP_kernel.new_Vector4DKey(*args))
4128 r"""add_key(std::string sc) -> unsigned int"""
4129 return _IMP_kernel.Vector4DKey_add_key(sc)
4132 def get_key_exists(sc):
4133 r"""get_key_exists(std::string sc) -> bool"""
4134 return _IMP_kernel.Vector4DKey_get_key_exists(sc)
4136 def get_string(self):
4137 r"""get_string(Vector4DKey self) -> std::string const"""
4138 return _IMP_kernel.Vector4DKey_get_string(self)
4140 def __cmp__(self, o):
4141 r"""__cmp__(Vector4DKey self, Vector4DKey o) -> int"""
4142 return _IMP_kernel.Vector4DKey___cmp__(self, o)
4144 def __eq__(self, o):
4145 r"""__eq__(Vector4DKey self, Vector4DKey o) -> bool"""
4146 return _IMP_kernel.Vector4DKey___eq__(self, o)
4148 def __ne__(self, o):
4149 r"""__ne__(Vector4DKey self, Vector4DKey o) -> bool"""
4150 return _IMP_kernel.Vector4DKey___ne__(self, o)
4152 def __lt__(self, o):
4153 r"""__lt__(Vector4DKey self, Vector4DKey o) -> bool"""
4154 return _IMP_kernel.Vector4DKey___lt__(self, o)
4156 def __gt__(self, o):
4157 r"""__gt__(Vector4DKey self, Vector4DKey o) -> bool"""
4158 return _IMP_kernel.Vector4DKey___gt__(self, o)
4160 def __ge__(self, o):
4161 r"""__ge__(Vector4DKey self, Vector4DKey o) -> bool"""
4162 return _IMP_kernel.Vector4DKey___ge__(self, o)
4164 def __le__(self, o):
4165 r"""__le__(Vector4DKey self, Vector4DKey o) -> bool"""
4166 return _IMP_kernel.Vector4DKey___le__(self, o)
4169 r"""__hash__(Vector4DKey self) -> std::size_t"""
4170 return _IMP_kernel.Vector4DKey___hash__(self)
4172 def show(self, *args):
4173 r"""show(Vector4DKey self, _ostream out=std::cout)"""
4174 return _IMP_kernel.Vector4DKey_show(self, *args)
4177 def add_alias(old_key, new_name):
4178 r"""add_alias(Vector4DKey old_key, std::string new_name) -> Vector4DKey"""
4179 return _IMP_kernel.Vector4DKey_add_alias(old_key, new_name)
4182 def get_number_of_keys():
4183 r"""get_number_of_keys() -> unsigned int"""
4184 return _IMP_kernel.Vector4DKey_get_number_of_keys()
4187 r"""get_index(Vector4DKey self) -> unsigned int"""
4188 return _IMP_kernel.Vector4DKey_get_index(self)
4192 r"""show_all(_ostream out)"""
4193 return _IMP_kernel.Vector4DKey_show_all(out)
4196 def get_all_strings():
4197 r"""get_all_strings() -> IMP::Vector< std::string >"""
4198 return _IMP_kernel.Vector4DKey_get_all_strings()
4201 def get_number_unique():
4202 r"""get_number_unique() -> unsigned int"""
4203 return _IMP_kernel.Vector4DKey_get_number_unique()
4206 r"""__str__(Vector4DKey self) -> std::string"""
4207 return _IMP_kernel.Vector4DKey___str__(self)
4210 r"""__repr__(Vector4DKey self) -> std::string"""
4211 return _IMP_kernel.Vector4DKey___repr__(self)
4212 __swig_destroy__ = _IMP_kernel.delete_Vector4DKey
4215 _IMP_kernel.Vector4DKey_swigregister(Vector4DKey)
4217 r"""Proxy of C++ IMP::Key< 19 > class."""
4219 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4221 def __init__(self, *args):
4223 __init__(Vector4DDerivKey self) -> Vector4DDerivKey
4224 __init__(Vector4DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DDerivKey
4225 __init__(Vector4DDerivKey self, unsigned int i) -> Vector4DDerivKey
4227 _IMP_kernel.Vector4DDerivKey_swiginit(self, _IMP_kernel.new_Vector4DDerivKey(*args))
4231 r"""add_key(std::string sc) -> unsigned int"""
4232 return _IMP_kernel.Vector4DDerivKey_add_key(sc)
4235 def get_key_exists(sc):
4236 r"""get_key_exists(std::string sc) -> bool"""
4237 return _IMP_kernel.Vector4DDerivKey_get_key_exists(sc)
4239 def get_string(self):
4240 r"""get_string(Vector4DDerivKey self) -> std::string const"""
4241 return _IMP_kernel.Vector4DDerivKey_get_string(self)
4243 def __cmp__(self, o):
4244 r"""__cmp__(Vector4DDerivKey self, Vector4DDerivKey o) -> int"""
4245 return _IMP_kernel.Vector4DDerivKey___cmp__(self, o)
4247 def __eq__(self, o):
4248 r"""__eq__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4249 return _IMP_kernel.Vector4DDerivKey___eq__(self, o)
4251 def __ne__(self, o):
4252 r"""__ne__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4253 return _IMP_kernel.Vector4DDerivKey___ne__(self, o)
4255 def __lt__(self, o):
4256 r"""__lt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4257 return _IMP_kernel.Vector4DDerivKey___lt__(self, o)
4259 def __gt__(self, o):
4260 r"""__gt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4261 return _IMP_kernel.Vector4DDerivKey___gt__(self, o)
4263 def __ge__(self, o):
4264 r"""__ge__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4265 return _IMP_kernel.Vector4DDerivKey___ge__(self, o)
4267 def __le__(self, o):
4268 r"""__le__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4269 return _IMP_kernel.Vector4DDerivKey___le__(self, o)
4272 r"""__hash__(Vector4DDerivKey self) -> std::size_t"""
4273 return _IMP_kernel.Vector4DDerivKey___hash__(self)
4275 def show(self, *args):
4276 r"""show(Vector4DDerivKey self, _ostream out=std::cout)"""
4277 return _IMP_kernel.Vector4DDerivKey_show(self, *args)
4280 def add_alias(old_key, new_name):
4281 r"""add_alias(Vector4DDerivKey old_key, std::string new_name) -> Vector4DDerivKey"""
4282 return _IMP_kernel.Vector4DDerivKey_add_alias(old_key, new_name)
4285 def get_number_of_keys():
4286 r"""get_number_of_keys() -> unsigned int"""
4287 return _IMP_kernel.Vector4DDerivKey_get_number_of_keys()
4290 r"""get_index(Vector4DDerivKey self) -> unsigned int"""
4291 return _IMP_kernel.Vector4DDerivKey_get_index(self)
4295 r"""show_all(_ostream out)"""
4296 return _IMP_kernel.Vector4DDerivKey_show_all(out)
4299 def get_all_strings():
4300 r"""get_all_strings() -> IMP::Vector< std::string >"""
4301 return _IMP_kernel.Vector4DDerivKey_get_all_strings()
4304 def get_number_unique():
4305 r"""get_number_unique() -> unsigned int"""
4306 return _IMP_kernel.Vector4DDerivKey_get_number_unique()
4309 r"""__str__(Vector4DDerivKey self) -> std::string"""
4310 return _IMP_kernel.Vector4DDerivKey___str__(self)
4313 r"""__repr__(Vector4DDerivKey self) -> std::string"""
4314 return _IMP_kernel.Vector4DDerivKey___repr__(self)
4315 __swig_destroy__ = _IMP_kernel.delete_Vector4DDerivKey
4318 _IMP_kernel.Vector4DDerivKey_swigregister(Vector4DDerivKey)
4327 class FloatIndex(_Value):
4328 r"""Proxy of C++ IMP::FloatIndex class."""
4330 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4332 def __init__(self, *args):
4334 __init__(FloatIndex self, ParticleIndex pi, FloatKey k) -> FloatIndex
4335 __init__(FloatIndex self, ParticleIndex pi, Vector3DDerivKey k, int index) -> FloatIndex
4336 __init__(FloatIndex self, ParticleIndex pi, Vector4DDerivKey k, int index) -> FloatIndex
4338 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
4340 def get_float_key(self):
4341 r"""get_float_key(FloatIndex self) -> FloatKey"""
4342 return _IMP_kernel.FloatIndex_get_float_key(self)
4344 def set_value(self, m, v):
4345 r"""set_value(FloatIndex self, Model m, IMP::Float v)"""
4346 return _IMP_kernel.FloatIndex_set_value(self, m, v)
4348 def get_value(self, m):
4349 r"""get_value(FloatIndex self, Model m) -> IMP::Float"""
4350 return _IMP_kernel.FloatIndex_get_value(self, m)
4352 def get_derivative(self, m):
4353 r"""get_derivative(FloatIndex self, Model m) -> IMP::Float"""
4354 return _IMP_kernel.FloatIndex_get_derivative(self, m)
4356 def show(self, *args):
4357 r"""show(FloatIndex self, _ostream out=std::cout)"""
4358 return _IMP_kernel.FloatIndex_show(self, *args)
4361 r"""__str__(FloatIndex self) -> std::string"""
4362 return _IMP_kernel.FloatIndex___str__(self)
4365 r"""__repr__(FloatIndex self) -> std::string"""
4366 return _IMP_kernel.FloatIndex___repr__(self)
4367 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
4370 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
4371 class _ParticleIndexTag(object):
4372 r"""Proxy of C++ IMP::ParticleIndexTag class."""
4374 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4375 __repr__ = _swig_repr
4378 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
4379 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
4380 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
4383 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
4384 class ModelObject(
Object):
4385 r"""Proxy of C++ IMP::ModelObject class."""
4387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4389 def __init__(self, *args):
4391 __init__(ModelObject self, Model m, std::string name) -> ModelObject
4392 __init__(ModelObject self) -> ModelObject
4394 if self.__class__ == ModelObject:
4398 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
4400 if self.__class__ != ModelObject:
4401 _director_objects.register(self)
4405 __swig_destroy__ = _IMP_kernel.delete_ModelObject
4407 def get_model(self):
4408 m = _IMP_kernel.ModelObject_get_model(self)
4409 if m
in _models_set:
4410 m = _models_set_get(m)
4415 def get_inputs(self):
4416 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4417 return _IMP_kernel.ModelObject_get_inputs(self)
4419 def get_outputs(self):
4420 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4421 return _IMP_kernel.ModelObject_get_outputs(self)
4423 def get_interactions(self):
4424 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4425 return _IMP_kernel.ModelObject_get_interactions(self)
4427 def get_has_dependencies(self):
4428 r"""get_has_dependencies(ModelObject self) -> bool"""
4429 return _IMP_kernel.ModelObject_get_has_dependencies(self)
4431 def set_has_dependencies(self, tf):
4432 r"""set_has_dependencies(ModelObject self, bool tf)"""
4433 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
4435 def set_has_required_score_states(self, tf):
4436 r"""set_has_required_score_states(ModelObject self, bool tf)"""
4437 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
4439 def get_has_required_score_states(self):
4440 r"""get_has_required_score_states(ModelObject self) -> bool"""
4441 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
4443 def get_required_score_states(self):
4444 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
4445 return _IMP_kernel.ModelObject_get_required_score_states(self)
4447 def handle_set_has_required_score_states(self, arg0):
4448 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
4449 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
4451 def do_get_inputs(self):
4452 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4453 return _IMP_kernel.ModelObject_do_get_inputs(self)
4455 def do_get_outputs(self):
4456 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4457 return _IMP_kernel.ModelObject_do_get_outputs(self)
4459 def do_get_interactions(self):
4460 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4461 return _IMP_kernel.ModelObject_do_get_interactions(self)
4464 r"""__str__(ModelObject self) -> std::string"""
4465 return _IMP_kernel.ModelObject___str__(self)
4468 r"""__repr__(ModelObject self) -> std::string"""
4469 return _IMP_kernel.ModelObject___repr__(self)
4473 return _object_cast_to_ModelObject(o)
4476 def do_show(self, out):
4481 return _object_cast_to_ModelObject(o)
4483 def __disown__(self):
4485 _IMP_kernel.disown_ModelObject(self)
4486 return weakref.proxy(self)
4489 r"""do_destroy(ModelObject self)"""
4490 return _IMP_kernel.ModelObject_do_destroy(self)
4493 _IMP_kernel.ModelObject_swigregister(ModelObject)
4494 cvar = _IMP_kernel.cvar
4495 NO_MAX = cvar.NO_MAX
4496 BAD_SCORE = cvar.BAD_SCORE
4498 class _ParticleInputs(object):
4499 r"""Proxy of C++ IMP::ParticleInputs class."""
4501 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4503 def __init__(self, *args, **kwargs):
4504 raise AttributeError(
"No constructor defined - class is abstract")
4505 __repr__ = _swig_repr
4507 def get_inputs(self, m, pis):
4508 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4509 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
4512 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
4513 class _ParticleOutputs(object):
4514 r"""Proxy of C++ IMP::ParticleOutputs class."""
4516 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4518 def __init__(self, *args, **kwargs):
4519 raise AttributeError(
"No constructor defined - class is abstract")
4520 __repr__ = _swig_repr
4522 def get_outputs(self, m, pis):
4523 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4524 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
4527 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
4530 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4531 return _IMP_kernel.get_input_particles(mos)
4534 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4535 return _IMP_kernel.get_input_containers(mos)
4538 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4539 return _IMP_kernel.get_output_particles(mos)
4542 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4543 return _IMP_kernel.get_output_containers(mos)
4546 _plural_types.append(
"Vector1Ds")
4547 _value_types.append(
"Vector1D")
4551 _plural_types.append(
"Vector2Ds")
4552 _value_types.append(
"Vector2D")
4556 _plural_types.append(
"Vector3Ds")
4557 _value_types.append(
"Vector3D")
4561 _plural_types.append(
"Vector4Ds")
4562 _value_types.append(
"Vector4D")
4566 _plural_types.append(
"Vector5Ds")
4567 _value_types.append(
"Vector5D")
4571 _plural_types.append(
"Vector6Ds")
4572 _value_types.append(
"Vector6D")
4576 _plural_types.append(
"Vector1Ds")
4577 _value_types.append(
"VectorD<1>")
4581 _plural_types.append(
"Vector2Ds")
4582 _value_types.append(
"VectorD<2>")
4586 _plural_types.append(
"Vector3Ds")
4587 _value_types.append(
"VectorD<3>")
4591 _plural_types.append(
"Vector4Ds")
4592 _value_types.append(
"VectorD<4>")
4596 _plural_types.append(
"Vector5Ds")
4597 _value_types.append(
"VectorD<5>")
4601 _plural_types.append(
"Vector6Ds")
4602 _value_types.append(
"VectorD<6>")
4606 _plural_types.append(
"VectorKDs")
4607 _value_types.append(
"VectorKD")
4611 _plural_types.append(
"VectorKDs")
4612 _value_types.append(
"VectorD<-1>")
4616 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
4617 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
4620 r"""get_zero_vector_kd(int D) -> VectorKD"""
4621 return _IMP_kernel.get_zero_vector_kd(D)
4624 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
4625 return _IMP_kernel.get_ones_vector_kd(D, v)
4628 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
4629 return _IMP_kernel.get_vector_product(p1, p2)
4632 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
4633 return _IMP_kernel.get_orthogonal_vector(v)
4636 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
4637 return _IMP_kernel.get_centroid(ps)
4640 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
4641 return _IMP_kernel.get_radius_of_gyration(ps)
4642 class DerivativeAccumulator(object):
4643 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4646 __repr__ = _swig_repr
4648 def __init__(self, *args):
4650 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4651 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4652 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4654 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4656 def __call__(self, *args):
4658 __call__(DerivativeAccumulator self, double const value) -> double
4659 __call__(DerivativeAccumulator self, Vector3D value) -> Vector3D
4660 __call__(DerivativeAccumulator self, Vector4D value) -> Vector4D
4662 return _IMP_kernel.DerivativeAccumulator___call__(self, *args)
4664 def get_weight(self):
4665 r"""get_weight(DerivativeAccumulator self) -> double"""
4666 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4668 def show(self, *args):
4669 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4670 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4671 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4674 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4675 class EvaluationState(object):
4676 r"""Proxy of C++ IMP::EvaluationState class."""
4678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4679 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4680 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4682 def __init__(self, *args):
4684 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4685 __init__(EvaluationState self) -> EvaluationState
4687 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4689 def show(self, *args):
4690 r"""show(EvaluationState self, _ostream out=std::cout)"""
4691 return _IMP_kernel.EvaluationState_show(self, *args)
4694 r"""__str__(EvaluationState self) -> std::string"""
4695 return _IMP_kernel.EvaluationState___str__(self)
4698 r"""__repr__(EvaluationState self) -> std::string"""
4699 return _IMP_kernel.EvaluationState___repr__(self)
4700 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4703 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4704 class ScoreAccumulator(_Value):
4705 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4709 def __init__(self, *args):
4711 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4712 __init__(ScoreAccumulator self) -> ScoreAccumulator
4713 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4714 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4716 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4718 def add_score(self, score):
4719 r"""add_score(ScoreAccumulator self, double score)"""
4720 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4722 def get_abort_evaluation(self):
4723 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4724 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4726 def get_is_evaluate_if_below(self):
4727 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4728 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4730 def get_is_evaluate_if_good(self):
4731 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4732 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4734 def get_maximum(self):
4735 r"""get_maximum(ScoreAccumulator self) -> double"""
4736 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4738 def get_derivative_accumulator(self):
4739 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4740 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4742 def show(self, *args):
4743 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4744 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4747 r"""__str__(ScoreAccumulator self) -> std::string"""
4748 return _IMP_kernel.ScoreAccumulator___str__(self)
4751 r"""__repr__(ScoreAccumulator self) -> std::string"""
4752 return _IMP_kernel.ScoreAccumulator___repr__(self)
4753 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4756 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4757 class ScoreState(ModelObject):
4758 r"""Proxy of C++ IMP::ScoreState class."""
4760 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4761 is_ignored_by_jax_ = property(_IMP_kernel.ScoreState_is_ignored_by_jax__get, _IMP_kernel.ScoreState_is_ignored_by_jax__set, doc=
r"""is_ignored_by_jax_ : bool""")
4763 def set_can_skip(self, can_skip):
4764 r"""set_can_skip(ScoreState self, bool can_skip)"""
4765 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4767 def __init__(self, *args):
4769 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4770 __init__(ScoreState self) -> ScoreState
4772 if self.__class__ == ScoreState:
4776 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4778 if self.__class__ != ScoreState:
4779 _director_objects.register(self)
4784 def before_evaluate(self):
4785 r"""before_evaluate(ScoreState self)"""
4786 return _IMP_kernel.ScoreState_before_evaluate(self)
4788 def after_evaluate(self, accpt):
4789 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4790 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4792 def get_can_skip(self):
4793 r"""get_can_skip(ScoreState self) -> bool"""
4794 return _IMP_kernel.ScoreState_get_can_skip(self)
4796 def get_has_update_order(self):
4797 r"""get_has_update_order(ScoreState self) -> bool"""
4798 return _IMP_kernel.ScoreState_get_has_update_order(self)
4801 r"""get_update_order(ScoreState self) -> unsigned int"""
4802 return _IMP_kernel.ScoreState_get_update_order(self)
4804 def handle_set_has_required_score_states(self, tf):
4805 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4806 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4808 def get_is_ignored_by_jax(self):
4809 r"""get_is_ignored_by_jax(ScoreState self) -> bool"""
4810 return _IMP_kernel.ScoreState_get_is_ignored_by_jax(self)
4812 def do_before_evaluate(self):
4813 r"""do_before_evaluate(ScoreState self)"""
4814 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4816 def do_after_evaluate(self, accpt):
4817 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4818 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4819 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4822 r"""__str__(ScoreState self) -> std::string"""
4823 return _IMP_kernel.ScoreState___str__(self)
4826 r"""__repr__(ScoreState self) -> std::string"""
4827 return _IMP_kernel.ScoreState___repr__(self)
4831 return _object_cast_to_ScoreState(o)
4834 def do_show(self, out):
4839 return _object_cast_to_ScoreState(o)
4842 def _wrap_jax(self, apply_func, keys=None):
4843 """Create the return value for _get_jax.
4844 Use this method in _get_jax() to wrap the JAX apply function
4845 with other model- and ScoreState-specific information.
4847 @param apply_func A function implemented using JAX that takes
4848 a single argument (the current JAX Model) and returns
4849 a new JAX Model with the ScoreState's transformation
4851 @param keys If given, a set of IMP::Key objects describing Model
4852 attributes (other than xyz and radius) that the ScoreState
4855 from IMP._jax_util
import JAXScoreStateInfo
4856 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4860 """Return a JAX implementation of this ScoreState.
4861 Implement this method in a ScoreState subclass to provide
4862 an equivalent function using [JAX](https://docs.jax.dev/)
4863 that modifies the JAX Model. See also _wrap_jax.
4865 if self.get_is_ignored_by_jax():
4866 return self._wrap_jax(
lambda jm: jm)
4868 raise NotImplementedError(
4869 f
"No JAX implementation for {self} ({type(self)})")
4871 def __disown__(self):
4873 _IMP_kernel.disown_ScoreState(self)
4874 return weakref.proxy(self)
4877 r"""do_destroy(ScoreState self)"""
4878 return _IMP_kernel.ScoreState_do_destroy(self)
4880 def do_get_inputs(self):
4881 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4882 return _IMP_kernel.ScoreState_do_get_inputs(self)
4884 def do_get_outputs(self):
4885 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4886 return _IMP_kernel.ScoreState_do_get_outputs(self)
4888 def do_get_interactions(self):
4889 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4890 return _IMP_kernel.ScoreState_do_get_interactions(self)
4893 _IMP_kernel.ScoreState_swigregister(ScoreState)
4896 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4897 return _IMP_kernel.get_update_order(input)
4898 class Constraint(ScoreState):
4899 r"""Proxy of C++ IMP::Constraint class."""
4901 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4903 def __init__(self, *args):
4905 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4906 __init__(Constraint self) -> Constraint
4908 if self.__class__ == Constraint:
4912 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4914 if self.__class__ != Constraint:
4915 _director_objects.register(self)
4920 def do_update_attributes(self):
4921 r"""do_update_attributes(Constraint self)"""
4922 return _IMP_kernel.Constraint_do_update_attributes(self)
4924 def do_update_derivatives(self, da):
4925 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4926 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4928 def do_before_evaluate(self):
4929 r"""do_before_evaluate(Constraint self)"""
4930 return _IMP_kernel.Constraint_do_before_evaluate(self)
4932 def do_after_evaluate(self, da):
4933 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4934 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4935 __swig_destroy__ = _IMP_kernel.delete_Constraint
4938 r"""__str__(Constraint self) -> std::string"""
4939 return _IMP_kernel.Constraint___str__(self)
4942 r"""__repr__(Constraint self) -> std::string"""
4943 return _IMP_kernel.Constraint___repr__(self)
4947 return _object_cast_to_Constraint(o)
4950 def do_show(self, out):
4955 return _object_cast_to_Constraint(o)
4957 def __disown__(self):
4959 _IMP_kernel.disown_Constraint(self)
4960 return weakref.proxy(self)
4963 r"""do_destroy(Constraint self)"""
4964 return _IMP_kernel.Constraint_do_destroy(self)
4966 def do_get_inputs(self):
4967 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4968 return _IMP_kernel.Constraint_do_get_inputs(self)
4970 def do_get_outputs(self):
4971 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4972 return _IMP_kernel.Constraint_do_get_outputs(self)
4974 def do_get_interactions(self):
4975 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4976 return _IMP_kernel.Constraint_do_get_interactions(self)
4979 _IMP_kernel.Constraint_swigregister(Constraint)
4980 class Container(ModelObject):
4981 r"""Proxy of C++ IMP::Container class."""
4983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4985 def __init__(self, *args):
4987 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4988 __init__(Container self) -> Container
4990 if self.__class__ == Container:
4994 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4996 if self.__class__ != Container:
4997 _director_objects.register(self)
5002 def do_get_contents_hash(self):
5003 r"""do_get_contents_hash(Container self) -> std::size_t"""
5004 return _IMP_kernel.Container_do_get_contents_hash(self)
5006 def get_all_possible_indexes(self):
5007 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
5008 return _IMP_kernel.Container_get_all_possible_indexes(self)
5010 def get_contents_hash(self):
5011 r"""get_contents_hash(Container self) -> std::size_t"""
5012 return _IMP_kernel.Container_get_contents_hash(self)
5014 def do_get_outputs(self):
5015 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
5016 return _IMP_kernel.Container_do_get_outputs(self)
5018 def get_is_decomposable(self):
5019 r"""get_is_decomposable(Container self) -> bool"""
5020 return _IMP_kernel.Container_get_is_decomposable(self)
5022 def validate_readable(self):
5023 r"""validate_readable(Container self)"""
5024 return _IMP_kernel.Container_validate_readable(self)
5026 def validate_writable(self):
5027 r"""validate_writable(Container self)"""
5028 return _IMP_kernel.Container_validate_writable(self)
5030 def set_is_readable(self, tf):
5031 r"""set_is_readable(Container self, bool tf)"""
5032 return _IMP_kernel.Container_set_is_readable(self, tf)
5034 def set_is_writable(self, tf):
5035 r"""set_is_writable(Container self, bool tf)"""
5036 return _IMP_kernel.Container_set_is_writable(self, tf)
5037 __swig_destroy__ = _IMP_kernel.delete_Container
5040 r"""__str__(Container self) -> std::string"""
5041 return _IMP_kernel.Container___str__(self)
5044 r"""__repr__(Container self) -> std::string"""
5045 return _IMP_kernel.Container___repr__(self)
5049 return _object_cast_to_Container(o)
5052 def do_show(self, out):
5057 return _object_cast_to_Container(o)
5059 def __disown__(self):
5061 _IMP_kernel.disown_Container(self)
5062 return weakref.proxy(self)
5065 r"""do_destroy(Container self)"""
5066 return _IMP_kernel.Container_do_destroy(self)
5068 def handle_set_has_required_score_states(self, arg0):
5069 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
5070 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5072 def do_get_inputs(self):
5073 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5074 return _IMP_kernel.Container_do_get_inputs(self)
5076 def do_get_interactions(self):
5077 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5078 return _IMP_kernel.Container_do_get_interactions(self)
5081 _IMP_kernel.Container_swigregister(Container)
5082 class RestraintInfo(
Object):
5083 r"""Proxy of C++ IMP::RestraintInfo class."""
5085 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5087 def __init__(self, *args):
5088 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5089 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5092 r"""clear(RestraintInfo self)"""
5093 return _IMP_kernel.RestraintInfo_clear(self)
5095 def add_int(self, key, value):
5096 r"""add_int(RestraintInfo self, std::string key, int value)"""
5097 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5099 def get_number_of_int(self):
5100 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5101 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5103 def get_int_key(self, i):
5104 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5105 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5107 def get_int_value(self, i):
5108 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5109 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5111 def add_float(self, key, value):
5112 r"""add_float(RestraintInfo self, std::string key, double value)"""
5113 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5115 def get_number_of_float(self):
5116 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5117 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5119 def get_float_key(self, i):
5120 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5121 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5123 def get_float_value(self, i):
5124 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5125 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5127 def add_string(self, key, value):
5128 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5129 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5131 def get_number_of_string(self):
5132 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5133 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5135 def get_string_key(self, i):
5136 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5137 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5139 def get_string_value(self, i):
5140 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5141 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5143 def add_filename(self, key, value):
5144 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5145 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5147 def get_number_of_filename(self):
5148 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5149 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5151 def get_filename_key(self, i):
5152 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5153 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5155 def get_filename_value(self, i):
5156 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5157 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5159 def add_floats(self, key, value):
5160 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5161 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5163 def get_number_of_floats(self):
5164 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5165 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5167 def get_floats_key(self, i):
5168 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5169 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5171 def get_floats_value(self, i):
5172 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5173 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5175 def add_ints(self, key, value):
5176 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5177 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5179 def get_number_of_ints(self):
5180 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5181 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5183 def get_ints_key(self, i):
5184 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5185 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5187 def get_ints_value(self, i):
5188 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5189 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5191 def add_strings(self, key, value):
5192 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5193 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5195 def get_number_of_strings(self):
5196 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5197 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5199 def get_strings_key(self, i):
5200 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5201 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5203 def get_strings_value(self, i):
5204 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5205 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5207 def add_filenames(self, key, value):
5208 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5209 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5211 def get_number_of_filenames(self):
5212 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5213 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5215 def get_filenames_key(self, i):
5216 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5217 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5219 def get_filenames_value(self, i):
5220 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5221 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5223 def add_particle_indexes(self, key, value):
5224 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5225 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5227 def get_number_of_particle_indexes(self):
5228 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5229 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5231 def get_particle_indexes_key(self, i):
5232 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5233 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5235 def get_particle_indexes_value(self, i):
5236 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5237 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5240 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5241 return _IMP_kernel.RestraintInfo_get_version_info(self)
5242 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5245 r"""__str__(RestraintInfo self) -> std::string"""
5246 return _IMP_kernel.RestraintInfo___str__(self)
5249 r"""__repr__(RestraintInfo self) -> std::string"""
5250 return _IMP_kernel.RestraintInfo___repr__(self)
5254 return _object_cast_to_RestraintInfo(o)
5258 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5259 class Restraint(ModelObject):
5260 r"""Proxy of C++ IMP::Restraint class."""
5262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5264 def __init__(self, *args):
5266 __init__(Restraint self, Model m, std::string name) -> Restraint
5267 __init__(Restraint self) -> Restraint
5269 if self.__class__ == Restraint:
5273 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5275 if self.__class__ != Restraint:
5276 _director_objects.register(self)
5281 def get_score(self):
5282 r"""get_score(Restraint self) -> double"""
5283 return _IMP_kernel.Restraint_get_score(self)
5285 def evaluate(self, calc_derivs):
5286 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5287 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5289 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5290 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5291 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5293 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5294 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5295 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5297 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5298 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5299 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5301 def evaluate_if_good(self, calc_derivatives):
5302 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5303 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5305 def evaluate_if_below(self, calc_derivatives, max):
5306 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5307 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5309 def unprotected_evaluate(self, da):
5310 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5311 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5313 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5314 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5315 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5317 def clear_moved_cache(self):
5318 r"""clear_moved_cache(Restraint self)"""
5319 return _IMP_kernel.Restraint_clear_moved_cache(self)
5321 def unprotected_evaluate_if_good(self, da, max):
5322 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5323 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5325 def unprotected_evaluate_if_below(self, da, max):
5326 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5327 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5329 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5330 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5331 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5333 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5334 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5335 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
5337 def get_static_info(self):
5338 r"""get_static_info(Restraint self) -> RestraintInfo"""
5339 return _IMP_kernel.Restraint_get_static_info(self)
5341 def get_dynamic_info(self):
5342 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5343 return _IMP_kernel.Restraint_get_dynamic_info(self)
5345 def add_score_and_derivatives(self, sa):
5346 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5347 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5349 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5350 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5351 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5354 r"""create_decomposition(Restraint self) -> Restraint"""
5355 return _IMP_kernel.Restraint_create_decomposition(self)
5357 def create_current_decomposition(self):
5358 r"""create_current_decomposition(Restraint self) -> Restraint"""
5359 return _IMP_kernel.Restraint_create_current_decomposition(self)
5361 def set_weight(self, weight):
5362 r"""set_weight(Restraint self, IMP::Float weight)"""
5363 return _IMP_kernel.Restraint_set_weight(self, weight)
5365 def get_weight(self):
5366 r"""get_weight(Restraint self) -> IMP::Float"""
5367 return _IMP_kernel.Restraint_get_weight(self)
5369 def get_maximum_score(self):
5370 r"""get_maximum_score(Restraint self) -> double"""
5371 return _IMP_kernel.Restraint_get_maximum_score(self)
5373 def set_maximum_score(self, s):
5374 r"""set_maximum_score(Restraint self, double s)"""
5375 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5378 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5379 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5381 def set_last_score(self, s):
5382 r"""set_last_score(Restraint self, double s)"""
5383 return _IMP_kernel.Restraint_set_last_score(self, s)
5385 def set_last_last_score(self, s):
5386 r"""set_last_last_score(Restraint self, double s)"""
5387 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5389 def get_last_score(self):
5390 r"""get_last_score(Restraint self) -> double"""
5391 return _IMP_kernel.Restraint_get_last_score(self)
5393 def get_last_last_score(self):
5394 r"""get_last_last_score(Restraint self) -> double"""
5395 return _IMP_kernel.Restraint_get_last_last_score(self)
5397 def get_is_aggregate(self):
5398 r"""get_is_aggregate(Restraint self) -> bool"""
5399 return _IMP_kernel.Restraint_get_is_aggregate(self)
5401 def get_is_custom_reset(self):
5402 r"""get_is_custom_reset(Restraint self) -> bool"""
5403 return _IMP_kernel.Restraint_get_is_custom_reset(self)
5405 def get_was_good(self):
5406 r"""get_was_good(Restraint self) -> bool"""
5407 return _IMP_kernel.Restraint_get_was_good(self)
5408 __swig_destroy__ = _IMP_kernel.delete_Restraint
5410 def do_create_decomposition(self):
5411 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5412 return _IMP_kernel.Restraint_do_create_decomposition(self)
5414 def do_create_current_decomposition(self):
5415 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5416 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5418 def do_add_score_and_derivatives(self, sa):
5419 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5420 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5422 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5423 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5424 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5426 def do_get_outputs(self):
5427 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5428 return _IMP_kernel.Restraint_do_get_outputs(self)
5429 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5430 is_custom_reset_ = property(_IMP_kernel.Restraint_is_custom_reset__get, _IMP_kernel.Restraint_is_custom_reset__set, doc=
r"""is_custom_reset_ : bool""")
5433 r"""__str__(Restraint self) -> std::string"""
5434 return _IMP_kernel.Restraint___str__(self)
5437 r"""__repr__(Restraint self) -> std::string"""
5438 return _IMP_kernel.Restraint___repr__(self)
5442 return _object_cast_to_Restraint(o)
5445 def do_show(self, out):
5450 return _object_cast_to_Restraint(o)
5453 def _wrap_jax(self, score_func, keys=None):
5454 """Create the return value for _get_jax.
5455 Use this method in _get_jax() to wrap the JAX scoring function
5456 with other model- and restraint-specific information.
5458 @param score_func A function implemented using JAX that takes
5459 a single argument (the current JAX Model) and returns
5460 the score of the restraint.
5461 @param keys If given, a set of IMP::Key objects describing Model
5462 attributes (other than xyz and radius) that the restraint
5463 uses. For example, a restraint that uses electrostatic charge
5464 would pass IMP::atom::Charged::get_charge_key() here.
5466 from IMP._jax_util
import JAXRestraintInfo
5467 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5468 weight=self.get_weight(), keys=keys)
5471 def _wrap_jax_multiple(cls, restraint, score_func, keys=None):
5472 """Create the return value for _get_jax_multiple.
5473 This is similar to _wrap_jax but is used to handle the JAX scoring
5474 function for multiple restraints at once. It is designed to be
5475 called from the _get_jax_multiple class method (if implemented).
5476 _get_jax_multiple is called (typically by RestraintSet) once for
5477 each type of restraint, and is given a list of all restraints.
5478 It should return a list of JAX functions that score some of the
5479 restraints using _wrap_jax_multiple (or None), and a list of the
5480 remaining unhandled restraints.
5482 @param restraint Any one of the restraints that is being scored.
5483 @param score_func A function implemented using JAX that takes
5484 a single argument (the current JAX Model) and returns
5485 an array of scores (one per restraint). Note that this array
5486 should be weighted by the restraint weights; that is not
5487 done in this method.
5488 @param keys As for _wrap_jax().
5490 from IMP._jax_util
import JAXRestraintInfo
5491 return JAXRestraintInfo(m=restraint.get_model(), score_func=score_func,
5492 weight=1.0, keys=keys)
5494 def _get_jax(self, space):
5495 """Return a JAX implementation of this Restraint.
5496 Implement this method in a Restraint subclass to provide
5497 an equivalent function using [JAX](https://docs.jax.dev/)
5498 that scores the current JAX Model. See also _wrap_jax.
5500 @param space The space in which the restraint is evaluated
5501 (e.g. a periodic box). See IMP._jax_util.Space.
5503 raise NotImplementedError(
5504 f
"No JAX implementation for {self} ({type(self)})")
5506 def _evaluate_jax(self, space=None):
5507 """Similar to evaluate(False), but using JAX.
5508 This is intended to be useful for testing purposes. It will likely
5509 not be particularly fast as it will copy the IMP Model and
5510 jax.jit-compile the scoring function each time.
5512 @param space The space in which the restraint is evaluated
5513 (e.g. a periodic box). See IMP._jax_util.Space. If not
5514 specified, an unbounded (free) space is used.
5519 jm = ji.get_jax_model()
5520 axes = jm.get_vmap_axes()
5522 j = jax.jit(ji.score_func)
5525 j = jax.jit(jax.vmap(ji.score_func, in_axes=(axes,)))
5528 def __disown__(self):
5530 _IMP_kernel.disown_Restraint(self)
5531 return weakref.proxy(self)
5534 r"""do_destroy(Restraint self)"""
5535 return _IMP_kernel.Restraint_do_destroy(self)
5537 def handle_set_has_required_score_states(self, arg0):
5538 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5539 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5541 def do_get_inputs(self):
5542 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5543 return _IMP_kernel.Restraint_do_get_inputs(self)
5545 def do_get_interactions(self):
5546 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5547 return _IMP_kernel.Restraint_do_get_interactions(self)
5550 _IMP_kernel.Restraint_swigregister(Restraint)
5551 class _RestraintsAdaptor(_InputAdaptor):
5552 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5554 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5555 __repr__ = _swig_repr
5557 def __init__(self, *args):
5559 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5560 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5561 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5562 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5564 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5565 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5568 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5569 class RestraintSet(Restraint):
5570 r"""Proxy of C++ IMP::RestraintSet class."""
5572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5574 def __init__(self, *args):
5576 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5577 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5578 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5579 __init__(RestraintSet self) -> RestraintSet
5581 if self.__class__ == RestraintSet:
5585 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5587 if self.__class__ != RestraintSet:
5588 _director_objects.register(self)
5593 def unprotected_evaluate(self, da):
5594 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5595 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5597 def get_type_name(self):
5598 r"""get_type_name(RestraintSet self) -> std::string"""
5599 return _IMP_kernel.RestraintSet_get_type_name(self)
5602 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5603 return _IMP_kernel.RestraintSet_get_version_info(self)
5604 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5605 def __get_restraints(self):
return _list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
5606 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5607 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5608 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5610 def remove_restraint(self, d):
5611 r"""remove_restraint(RestraintSet self, Restraint d)"""
5612 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5614 def _python_index_restraint(self, d, start, stop):
5615 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5616 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5618 def remove_restraints(self, d):
5619 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5620 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5622 def set_restraints(self, ps):
5623 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5624 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5626 def set_restraints_order(self, objs):
5627 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5628 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5631 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5632 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5635 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5636 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5638 def clear_restraints(self):
5639 r"""clear_restraints(RestraintSet self)"""
5640 return _IMP_kernel.RestraintSet_clear_restraints(self)
5642 def get_number_of_restraints(self):
5643 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5644 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5646 def get_has_restraints(self):
5647 r"""get_has_restraints(RestraintSet self) -> bool"""
5648 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5650 def get_restraint(self, i):
5651 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5652 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5654 def get_restraints(self):
5655 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5656 return _IMP_kernel.RestraintSet_get_restraints(self)
5658 def erase_restraint(self, i):
5659 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5660 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5662 def reserve_restraints(self, sz):
5663 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5664 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5666 def get_non_sets_and_sets(self):
5667 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5668 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5670 def do_get_inputs(self):
5671 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5672 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5675 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5676 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5678 def get_last_score(self):
5679 r"""get_last_score(RestraintSet self) -> double"""
5680 return _IMP_kernel.RestraintSet_get_last_score(self)
5683 r"""__str__(RestraintSet self) -> std::string"""
5684 return _IMP_kernel.RestraintSet___str__(self)
5687 r"""__repr__(RestraintSet self) -> std::string"""
5688 return _IMP_kernel.RestraintSet___repr__(self)
5692 return _object_cast_to_RestraintSet(o)
5695 def do_show(self, out):
5700 return _object_cast_to_RestraintSet(o)
5703 def _get_as_binary(self):
5704 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5705 return _IMP_kernel.RestraintSet__get_as_binary(self)
5707 def _set_from_binary(self, p):
5708 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5709 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5711 def __getstate__(self):
5712 p = self._get_as_binary()
5713 if len(self.__dict__) > 1:
5714 d = self.__dict__.copy()
5719 def __setstate__(self, p):
5720 if not hasattr(self,
'this'):
5722 if isinstance(p, tuple):
5724 self.__dict__.update(d)
5725 return self._set_from_binary(p)
5728 def _get_jax(self, space):
5729 import jax.numpy
as jnp
5730 import IMP._jax_util
5731 restraints = [r.get_derived_object()
for r
in self.restraints]
5732 multi_funcs, funcs, keys = IMP._jax_util.get_restraints_jax_funcs_keys(
5735 if funcs
or multi_funcs:
5736 rets = [f(jm)
for f
in multi_funcs]
5738 rets.append(jnp.stack([f(jm)
for f
in funcs], axis=-1))
5739 scores = jnp.concatenate(rets, axis=-1)
5740 return jnp.sum(scores, axis=-1)
5744 return self._wrap_jax(jax_sf, keys=keys)
5746 def __disown__(self):
5748 _IMP_kernel.disown_RestraintSet(self)
5749 return weakref.proxy(self)
5752 r"""do_destroy(RestraintSet self)"""
5753 return _IMP_kernel.RestraintSet_do_destroy(self)
5755 def handle_set_has_required_score_states(self, arg0):
5756 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5757 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5759 def do_get_outputs(self):
5760 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5761 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5763 def do_get_interactions(self):
5764 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5765 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5767 def do_create_decomposition(self):
5768 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5769 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5771 def do_create_current_decomposition(self):
5772 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5773 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5775 def do_add_score_and_derivatives(self, sa):
5776 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5777 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5779 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5780 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5781 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5784 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5786 def get_restraints(rs):
5787 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5788 return _IMP_kernel.get_restraints(rs)
5790 def _check_particle(p, a):
5791 if (
not p.get_is_active()):
5792 raise ValueError(
"Inactive Particle")
5793 if (type(a)() == a):
5794 raise IndexError(
"Cannot use default Index")
5795 if (
not p.has_attribute(a)):
5796 raise IndexError(
"Particle does not have attribute")
5798 class Particle(ModelObject):
5799 r"""Proxy of C++ IMP::Particle class."""
5801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5804 r"""get_version_info(Particle self) -> VersionInfo"""
5805 return _IMP_kernel.Particle_get_version_info(self)
5806 __swig_destroy__ = _IMP_kernel.delete_Particle
5808 def __init__(self, *args):
5810 __init__(Particle self, Model m, std::string name) -> Particle
5811 __init__(Particle self, Model m) -> Particle
5812 __init__(Particle self) -> Particle
5814 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5816 def get_float_keys(self):
5817 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5818 return _IMP_kernel.Particle_get_float_keys(self)
5820 def get_floats_keys(self):
5821 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5822 return _IMP_kernel.Particle_get_floats_keys(self)
5824 def get_int_keys(self):
5825 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5826 return _IMP_kernel.Particle_get_int_keys(self)
5828 def get_ints_keys(self):
5829 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5830 return _IMP_kernel.Particle_get_ints_keys(self)
5832 def get_string_keys(self):
5833 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5834 return _IMP_kernel.Particle_get_string_keys(self)
5836 def get_object_keys(self):
5837 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5838 return _IMP_kernel.Particle_get_object_keys(self)
5840 def add_cache_attribute(self, *args):
5842 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5843 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5844 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5845 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5846 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5847 add_cache_attribute(Particle self, ObjectKey name, Object value)
5848 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5850 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5852 def get_weak_object_keys(self):
5853 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5854 return _IMP_kernel.Particle_get_weak_object_keys(self)
5856 def add_to_derivative(self, *args):
5858 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5859 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5860 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5862 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5864 def set_is_optimized(self, *args):
5866 set_is_optimized(Particle self, FloatKey k, bool tf)
5867 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5868 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5870 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5872 def get_is_optimized(self, *args):
5874 get_is_optimized(Particle self, FloatKey k) -> bool
5875 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5876 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5878 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5880 def get_derivative(self, *args):
5882 get_derivative(Particle self, FloatKey k) -> IMP::Float
5883 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5884 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5886 return _IMP_kernel.Particle_get_derivative(self, *args)
5888 def add_attribute(self, *args):
5890 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5891 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5892 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5893 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5894 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5895 add_attribute(Particle self, ObjectKey name, Object initial_value)
5896 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5897 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5898 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5899 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5900 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5901 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5902 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5904 return _IMP_kernel.Particle_add_attribute(self, *args)
5906 def has_attribute(self, *args):
5908 has_attribute(Particle self, FloatKey name) -> bool
5909 has_attribute(Particle self, FloatsKey name) -> bool
5910 has_attribute(Particle self, IntKey name) -> bool
5911 has_attribute(Particle self, IntsKey name) -> bool
5912 has_attribute(Particle self, StringKey name) -> bool
5913 has_attribute(Particle self, ObjectKey name) -> bool
5914 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5915 has_attribute(Particle self, SparseStringKey name) -> bool
5916 has_attribute(Particle self, SparseIntKey name) -> bool
5917 has_attribute(Particle self, SparseFloatKey name) -> bool
5918 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5919 has_attribute(Particle self, ParticleIndexKey k) -> bool
5921 return _IMP_kernel.Particle_has_attribute(self, *args)
5923 def set_value(self, *args):
5925 set_value(Particle self, FloatKey name, IMP::Float value)
5926 set_value(Particle self, FloatsKey name, IMP::Floats value)
5927 set_value(Particle self, IntKey name, IMP::Int value)
5928 set_value(Particle self, IntsKey name, IMP::Ints value)
5929 set_value(Particle self, StringKey name, IMP::String value)
5930 set_value(Particle self, ObjectKey name, Object value)
5931 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5932 set_value(Particle self, SparseStringKey name, IMP::String value)
5933 set_value(Particle self, SparseIntKey name, IMP::Int value)
5934 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5935 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5936 set_value(Particle self, ParticleIndexKey k, Particle v)
5938 return _IMP_kernel.Particle_set_value(self, *args)
5940 def get_value(self, *args):
5942 get_value(Particle self, FloatKey name) -> IMP::Float
5943 get_value(Particle self, FloatsKey name) -> IMP::Floats
5944 get_value(Particle self, IntKey name) -> IMP::Int
5945 get_value(Particle self, IntsKey name) -> IMP::Ints
5946 get_value(Particle self, StringKey name) -> IMP::String
5947 get_value(Particle self, ObjectKey name) -> Object
5948 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5949 get_value(Particle self, SparseStringKey name) -> IMP::String
5950 get_value(Particle self, SparseIntKey name) -> IMP::Int
5951 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5952 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5953 get_value(Particle self, ParticleIndexKey k) -> Particle
5955 return _IMP_kernel.Particle_get_value(self, *args)
5957 def remove_attribute(self, *args):
5959 remove_attribute(Particle self, FloatKey name)
5960 remove_attribute(Particle self, FloatsKey name)
5961 remove_attribute(Particle self, IntKey name)
5962 remove_attribute(Particle self, IntsKey name)
5963 remove_attribute(Particle self, StringKey name)
5964 remove_attribute(Particle self, ObjectKey name)
5965 remove_attribute(Particle self, IMP::WeakObjectKey name)
5966 remove_attribute(Particle self, SparseStringKey name)
5967 remove_attribute(Particle self, SparseIntKey name)
5968 remove_attribute(Particle self, SparseFloatKey name)
5969 remove_attribute(Particle self, SparseParticleIndexKey name)
5970 remove_attribute(Particle self, ParticleIndexKey k)
5972 return _IMP_kernel.Particle_remove_attribute(self, *args)
5974 def get_particle_keys(self):
5975 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5976 return _IMP_kernel.Particle_get_particle_keys(self)
5978 def show(self, *args):
5979 r"""show(Particle self, _ostream out=std::cout)"""
5980 return _IMP_kernel.Particle_show(self, *args)
5982 def get_is_active(self):
5983 r"""get_is_active(Particle self) -> bool"""
5984 return _IMP_kernel.Particle_get_is_active(self)
5987 r"""get_index(Particle self) -> ParticleIndex"""
5988 return _IMP_kernel.Particle_get_index(self)
5990 def __eq__(self, *args):
5992 __eq__(Particle self, Particle o) -> bool
5993 __eq__(Particle self, Decorator d) -> bool
5995 return _IMP_kernel.Particle___eq__(self, *args)
5997 def __ne__(self, *args):
5999 __ne__(Particle self, Particle o) -> bool
6000 __ne__(Particle self, Decorator d) -> bool
6002 return _IMP_kernel.Particle___ne__(self, *args)
6004 def __le__(self, *args):
6006 __le__(Particle self, Particle o) -> bool
6007 __le__(Particle self, Decorator d) -> bool
6009 return _IMP_kernel.Particle___le__(self, *args)
6011 def __lt__(self, *args):
6013 __lt__(Particle self, Particle o) -> bool
6014 __lt__(Particle self, Decorator d) -> bool
6016 return _IMP_kernel.Particle___lt__(self, *args)
6018 def __ge__(self, *args):
6020 __ge__(Particle self, Particle o) -> bool
6021 __ge__(Particle self, Decorator d) -> bool
6023 return _IMP_kernel.Particle___ge__(self, *args)
6025 def __gt__(self, *args):
6027 __gt__(Particle self, Particle o) -> bool
6028 __gt__(Particle self, Decorator d) -> bool
6030 return _IMP_kernel.Particle___gt__(self, *args)
6032 __hash__ = ModelObject.__hash__
6036 r"""__str__(Particle self) -> std::string"""
6037 return _IMP_kernel.Particle___str__(self)
6040 r"""__repr__(Particle self) -> std::string"""
6041 return _IMP_kernel.Particle___repr__(self)
6045 return _object_cast_to_Particle(o)
6048 def _get_as_binary(self):
6049 r"""_get_as_binary(Particle self) -> PyObject *"""
6050 return _IMP_kernel.Particle__get_as_binary(self)
6052 def _set_from_binary(self, p):
6053 r"""_set_from_binary(Particle self, PyObject * p)"""
6054 return _IMP_kernel.Particle__set_from_binary(self, p)
6056 def __getstate__(self):
6057 p = self._get_as_binary()
6058 if len(self.__dict__) > 1:
6059 d = self.__dict__.copy()
6064 def __setstate__(self, p):
6065 if not hasattr(self,
'this'):
6067 if isinstance(p, tuple):
6069 self.__dict__.update(d)
6070 return self._set_from_binary(p)
6074 _IMP_kernel.Particle_swigregister(Particle)
6075 class _ParticleAdaptor(_InputAdaptor):
6076 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6079 __repr__ = _swig_repr
6081 def __init__(self, *args):
6083 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6084 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6085 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6087 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6089 def get_model(self):
6090 r"""get_model(_ParticleAdaptor self) -> Model"""
6091 return _IMP_kernel._ParticleAdaptor_get_model(self)
6093 def get_particle_index(self):
6094 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6095 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6096 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6099 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6100 class _DependencyGraphVertexIndex(object):
6101 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6103 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6104 __repr__ = _swig_repr
6107 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6108 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6109 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6112 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6114 def show_as_graphviz(name, out):
6115 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6116 return _IMP_kernel.show_as_graphviz(name, out)
6118 def get_vertex_index(g):
6119 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6120 return _IMP_kernel.get_vertex_index(g)
6123 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6124 return _IMP_kernel.get_dependency_graph(m)
6127 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6128 return _IMP_kernel.get_pruned_dependency_graph(m)
6130 def get_dependent_particles(p, all, dg, index):
6131 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6132 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6134 def get_required_score_states(*args):
6136 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6137 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6138 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6140 return _IMP_kernel.get_required_score_states(*args)
6141 class ScoringFunction(ModelObject):
6142 r"""Proxy of C++ IMP::ScoringFunction class."""
6144 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6146 def do_add_score_and_derivatives(self, sa, ss):
6147 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6148 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6150 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6151 r"""do_add_score_and_derivatives_moved(ScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
6152 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6154 def get_score_accumulator_if_below(self, deriv, max):
6155 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6156 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6158 def get_score_accumulator_if_good(self, deriv):
6159 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6160 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6162 def get_score_accumulator(self, deriv):
6163 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6164 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6166 def __init__(self, *args):
6168 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6169 __init__(ScoringFunction self) -> ScoringFunction
6171 if self.__class__ == ScoringFunction:
6175 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6177 if self.__class__ != ScoringFunction:
6178 _director_objects.register(self)
6183 def do_get_outputs(self):
6184 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6185 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6187 def evaluate(self, derivatives):
6188 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6189 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6191 def evaluate_if_good(self, derivatives):
6192 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6193 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6195 def evaluate_if_below(self, derivatives, max):
6196 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6197 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6199 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6200 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6201 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6203 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6204 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6205 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6207 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6208 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6209 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6211 def clear_moved_cache(self):
6212 r"""clear_moved_cache(ScoringFunction self)"""
6213 return _IMP_kernel.ScoringFunction_clear_moved_cache(self)
6215 def get_had_good_score(self):
6216 r"""get_had_good_score(ScoringFunction self) -> bool"""
6217 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6219 def get_last_score(self):
6220 r"""get_last_score(ScoringFunction self) -> double"""
6221 return _IMP_kernel.ScoringFunction_get_last_score(self)
6224 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6225 return _IMP_kernel.ScoringFunction_create_restraints(self)
6227 def get_single_restraint(self):
6228 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6229 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6232 r"""__str__(ScoringFunction self) -> std::string"""
6233 return _IMP_kernel.ScoringFunction___str__(self)
6236 r"""__repr__(ScoringFunction self) -> std::string"""
6237 return _IMP_kernel.ScoringFunction___repr__(self)
6241 return _object_cast_to_ScoringFunction(o)
6244 def do_show(self, out):
6249 return _object_cast_to_ScoringFunction(o)
6252 def _get_jax(self, space=None):
6255 r = self.get_single_restraint()
6257 raise NotImplementedError(
6258 f
"No JAX implementation for {self} ({type(self)})")
6260 return r.get_derived_object()._get_jax(space)
6262 def _evaluate_jax(self, space=None):
6263 """Similar to evaluate(False), but using JAX.
6264 This is intended to be useful for testing purposes. It will likely
6265 not be particularly fast as it will copy the IMP Model and
6266 jax.jit-compile the scoring function each time.
6268 @param space The space in which the scoring function is evaluated
6269 (e.g. a periodic box). See IMP._jax_util.Space. If not
6270 specified, an unbounded (free) space is used.
6273 ji = self._get_jax(space)
6274 jm = ji.get_jax_model()
6275 axes = jm.get_vmap_axes()
6277 j = jax.jit(ji.score_func)
6281 j = jax.jit(jax.vmap(ji.score_func, in_axes=(axes,)))
6284 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6285 def __disown__(self):
6287 _IMP_kernel.disown_ScoringFunction(self)
6288 return weakref.proxy(self)
6291 r"""do_destroy(ScoringFunction self)"""
6292 return _IMP_kernel.ScoringFunction_do_destroy(self)
6294 def handle_set_has_required_score_states(self, arg0):
6295 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6296 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6298 def do_get_inputs(self):
6299 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6300 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6302 def do_get_interactions(self):
6303 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6304 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6307 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6311 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6312 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6314 return _IMP_kernel.create_decomposition(*args)
6315 class _ScoringFunctionAdaptor(_InputAdaptor):
6316 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6319 __repr__ = _swig_repr
6321 def __init__(self, *args):
6323 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6324 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6325 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6326 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6327 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6329 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6330 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6333 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6336 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6337 return _IMP_kernel.show_restraint_hierarchy(*args)
6338 class Undecorator(
Object):
6339 r"""Proxy of C++ IMP::Undecorator class."""
6341 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6343 def __init__(self, m, name):
6344 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6345 if self.__class__ == Undecorator:
6349 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6351 if self.__class__ != Undecorator:
6352 _director_objects.register(self)
6357 def teardown(self, pi):
6358 r"""teardown(Undecorator self, ParticleIndex pi)"""
6359 return _IMP_kernel.Undecorator_teardown(self, pi)
6362 r"""__str__(Undecorator self) -> std::string"""
6363 return _IMP_kernel.Undecorator___str__(self)
6366 r"""__repr__(Undecorator self) -> std::string"""
6367 return _IMP_kernel.Undecorator___repr__(self)
6371 return _object_cast_to_Undecorator(o)
6374 def do_show(self, out):
6379 return _object_cast_to_Undecorator(o)
6381 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6382 def __disown__(self):
6384 _IMP_kernel.disown_Undecorator(self)
6385 return weakref.proxy(self)
6388 r"""do_destroy(Undecorator self)"""
6389 return _IMP_kernel.Undecorator_do_destroy(self)
6392 _IMP_kernel.Undecorator_swigregister(Undecorator)
6394 r"""Proxy of C++ IMP::Model class."""
6396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6398 def __init__(self, *args):
6399 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6400 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6402 if self
not in _models_set:
6403 _models_set.add(self)
6408 def clear_particle_caches(self, pi):
6409 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6410 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6413 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6414 return _IMP_kernel.Model_add_particle(self, name)
6416 def get_particle_name(self, pi):
6417 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6418 return _IMP_kernel.Model_get_particle_name(self, pi)
6420 def add_undecorator(self, pi, d):
6421 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6422 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6424 def get_dependent_restraints_uncached(self, pi):
6425 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6426 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6428 def get_dependent_particles_uncached(self, pi):
6429 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6430 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6432 def get_dependent_score_states_uncached(self, pi):
6433 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6434 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6435 def __get_score_states(self):
return _list_util.VarList(getdimfunc=self.get_number_of_score_states, getfunc=self.get_score_state, erasefunc=self.erase_score_state, appendfunc=self.add_score_state, extendfunc=self.add_score_states, clearfunc=self.clear_score_states, indexfunc=self._python_index_score_state)
6436 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6437 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6438 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6440 def remove_score_state(self, d):
6441 r"""remove_score_state(Model self, ScoreState d)"""
6442 return _IMP_kernel.Model_remove_score_state(self, d)
6444 def _python_index_score_state(self, d, start, stop):
6445 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6446 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6448 def remove_score_states(self, d):
6449 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6450 return _IMP_kernel.Model_remove_score_states(self, d)
6452 def set_score_states(self, ps):
6453 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6454 return _IMP_kernel.Model_set_score_states(self, ps)
6456 def set_score_states_order(self, objs):
6457 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6458 return _IMP_kernel.Model_set_score_states_order(self, objs)
6460 def add_score_state(self, obj):
6461 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6462 return _IMP_kernel.Model_add_score_state(self, obj)
6464 def add_score_states(self, objs):
6465 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6466 return _IMP_kernel.Model_add_score_states(self, objs)
6468 def clear_score_states(self):
6469 r"""clear_score_states(Model self)"""
6470 return _IMP_kernel.Model_clear_score_states(self)
6472 def get_number_of_score_states(self):
6473 r"""get_number_of_score_states(Model self) -> unsigned int"""
6474 return _IMP_kernel.Model_get_number_of_score_states(self)
6476 def get_has_score_states(self):
6477 r"""get_has_score_states(Model self) -> bool"""
6478 return _IMP_kernel.Model_get_has_score_states(self)
6480 def get_score_state(self, i):
6481 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6482 return _IMP_kernel.Model_get_score_state(self, i)
6484 def get_score_states(self):
6485 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6486 return _IMP_kernel.Model_get_score_states(self)
6488 def erase_score_state(self, i):
6489 r"""erase_score_state(Model self, unsigned int i)"""
6490 return _IMP_kernel.Model_erase_score_state(self, i)
6492 def reserve_score_states(self, sz):
6493 r"""reserve_score_states(Model self, unsigned int sz)"""
6494 return _IMP_kernel.Model_reserve_score_states(self, sz)
6497 r"""update(Model self)"""
6498 return _IMP_kernel.Model_update(self)
6500 def get_ordered_score_states(self):
6501 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6502 return _IMP_kernel.Model_get_ordered_score_states(self)
6504 def add_cache_attribute(self, *args):
6506 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6507 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6508 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6509 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6510 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6511 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6512 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6513 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6514 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6515 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6516 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6517 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6518 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6520 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6522 def add_attribute(self, *args):
6524 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6525 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6526 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6527 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6528 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6529 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6530 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6531 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6532 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6533 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6534 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6535 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6536 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6537 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6538 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6539 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6540 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6542 return _IMP_kernel.Model_add_attribute(self, *args)
6544 def remove_attribute(self, *args):
6546 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6547 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6548 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6549 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6550 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6551 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6552 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6553 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6554 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6555 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6556 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6557 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6558 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6559 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6560 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6561 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6562 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6564 return _IMP_kernel.Model_remove_attribute(self, *args)
6566 def get_has_attribute(self, *args):
6568 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6569 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6570 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6571 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6572 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6573 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6574 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6575 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6576 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6577 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6578 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6579 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6580 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6581 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6582 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6583 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6584 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6586 return _IMP_kernel.Model_get_has_attribute(self, *args)
6588 def set_attribute(self, *args):
6590 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6591 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6592 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6593 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6594 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6595 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6596 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6597 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6598 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6599 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6600 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6601 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6602 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6603 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6604 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6605 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6606 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6608 return _IMP_kernel.Model_set_attribute(self, *args)
6610 def get_attribute(self, *args):
6612 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6613 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6614 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6615 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6616 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6617 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6618 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6619 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6620 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6621 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6622 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6623 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6624 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6625 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6626 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6627 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6628 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6630 return _IMP_kernel.Model_get_attribute(self, *args)
6632 def set_is_optimized(self, *args):
6634 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6635 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6636 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6638 return _IMP_kernel.Model_set_is_optimized(self, *args)
6640 def add_to_derivative(self, *args):
6642 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6643 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6644 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6646 return _IMP_kernel.Model_add_to_derivative(self, *args)
6648 def get_number_of_sphere_attribute_sets(self):
6649 r"""get_number_of_sphere_attribute_sets(Model self) -> int"""
6650 return _IMP_kernel.Model_get_number_of_sphere_attribute_sets(self)
6652 def set_number_of_sphere_attribute_sets(self, nsets):
6653 r"""set_number_of_sphere_attribute_sets(Model self, int nsets)"""
6654 return _IMP_kernel.Model_set_number_of_sphere_attribute_sets(self, nsets)
6656 def set_active_sphere_attribute_set(self, set):
6657 r"""set_active_sphere_attribute_set(Model self, int set)"""
6658 return _IMP_kernel.Model_set_active_sphere_attribute_set(self, set)
6660 def get_number_of_internal_coordinate_attribute_sets(self):
6661 r"""get_number_of_internal_coordinate_attribute_sets(Model self) -> int"""
6662 return _IMP_kernel.Model_get_number_of_internal_coordinate_attribute_sets(self)
6664 def set_number_of_internal_coordinate_attribute_sets(self, nsets):
6665 r"""set_number_of_internal_coordinate_attribute_sets(Model self, int nsets)"""
6666 return _IMP_kernel.Model_set_number_of_internal_coordinate_attribute_sets(self, nsets)
6668 def set_active_internal_coordinate_attribute_set(self, set):
6669 r"""set_active_internal_coordinate_attribute_set(Model self, int set)"""
6670 return _IMP_kernel.Model_set_active_internal_coordinate_attribute_set(self, set)
6672 def get_number_of_attribute_sets(self, *args):
6674 get_number_of_attribute_sets(Model self)
6675 get_number_of_attribute_sets(Model self, FloatKey k) -> int
6676 get_number_of_attribute_sets(Model self, Vector3DKey k) -> int
6677 get_number_of_attribute_sets(Model self, Vector4DKey k) -> int
6678 get_number_of_attribute_sets(Model self, Vector3DDerivKey k) -> int
6679 get_number_of_attribute_sets(Model self, Vector4DDerivKey k) -> int
6681 return _IMP_kernel.Model_get_number_of_attribute_sets(self, *args)
6683 def set_number_of_attribute_sets(self, *args):
6685 set_number_of_attribute_sets(Model self)
6686 set_number_of_attribute_sets(Model self, FloatKey k, int nsets)
6687 set_number_of_attribute_sets(Model self, Vector3DKey k, int nsets)
6688 set_number_of_attribute_sets(Model self, Vector4DKey k, int nsets)
6689 set_number_of_attribute_sets(Model self, Vector3DDerivKey k, int nsets)
6690 set_number_of_attribute_sets(Model self, Vector4DDerivKey k, int nsets)
6692 return _IMP_kernel.Model_set_number_of_attribute_sets(self, *args)
6694 def set_active_attribute_set(self, *args):
6696 set_active_attribute_set(Model self)
6697 set_active_attribute_set(Model self, FloatKey k, int set)
6698 set_active_attribute_set(Model self, Vector3DKey k, int set)
6699 set_active_attribute_set(Model self, Vector4DKey k, int set)
6700 set_active_attribute_set(Model self, Vector3DDerivKey k, int set)
6701 set_active_attribute_set(Model self, Vector4DDerivKey k, int set)
6703 return _IMP_kernel.Model_set_active_attribute_set(self, *args)
6705 def get_particle(self, p):
6706 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6707 return _IMP_kernel.Model_get_particle(self, p)
6709 def get_has_particle(self, p):
6710 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6711 return _IMP_kernel.Model_get_has_particle(self, p)
6714 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6715 return _IMP_kernel.Model_get_particle_indexes(self)
6717 def get_model_objects(self):
6718 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6719 return _IMP_kernel.Model_get_model_objects(self)
6721 def remove_particle(self, pi):
6722 r"""remove_particle(Model self, ParticleIndex pi)"""
6723 return _IMP_kernel.Model_remove_particle(self, pi)
6725 def add_data(self, mk, o):
6726 r"""add_data(Model self, ModelKey mk, Object o)"""
6727 return _IMP_kernel.Model_add_data(self, mk, o)
6729 def get_data(self, mk):
6730 r"""get_data(Model self, ModelKey mk) -> Object"""
6731 return _IMP_kernel.Model_get_data(self, mk)
6733 def remove_data(self, mk):
6734 r"""remove_data(Model self, ModelKey mk)"""
6735 return _IMP_kernel.Model_remove_data(self, mk)
6737 def get_has_data(self, mk):
6738 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6739 return _IMP_kernel.Model_get_has_data(self, mk)
6742 r"""get_age(Model self) -> unsigned int"""
6743 return _IMP_kernel.Model_get_age(self)
6745 def get_trigger_last_updated(self, tk):
6746 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6747 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6749 def set_trigger_updated(self, tk):
6750 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6751 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6753 def get_dependencies_updated(self):
6754 r"""get_dependencies_updated(Model self) -> unsigned int"""
6755 return _IMP_kernel.Model_get_dependencies_updated(self)
6757 def get_removed_particles_attributes_age(self):
6758 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6759 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6761 def save_dependencies(self):
6762 r"""save_dependencies(Model self)"""
6763 return _IMP_kernel.Model_save_dependencies(self)
6765 def restore_dependencies(self):
6766 r"""restore_dependencies(Model self)"""
6767 return _IMP_kernel.Model_restore_dependencies(self)
6769 def get_particles_size(self):
6770 r"""get_particles_size(Model self) -> unsigned int"""
6771 return _IMP_kernel.Model_get_particles_size(self)
6773 def get_unique_id(self):
6774 r"""get_unique_id(Model self) -> uint32_t"""
6775 return _IMP_kernel.Model_get_unique_id(self)
6778 def get_by_unique_id(id):
6779 r"""get_by_unique_id(uint32_t id) -> Model"""
6780 return _IMP_kernel.Model_get_by_unique_id(id)
6783 r"""get_version_info(Model self) -> VersionInfo"""
6784 return _IMP_kernel.Model_get_version_info(self)
6785 __swig_destroy__ = _IMP_kernel.delete_Model
6787 r"""__del__(Model self)"""
6789 _director_objects.cleanup()
6796 r"""do_destroy(Model self)"""
6797 return _IMP_kernel.Model_do_destroy(self)
6800 r"""__str__(Model self) -> std::string"""
6801 return _IMP_kernel.Model___str__(self)
6804 r"""__repr__(Model self) -> std::string"""
6805 return _IMP_kernel.Model___repr__(self)
6809 return _object_cast_to_Model(o)
6812 def _get_as_binary(self):
6813 r"""_get_as_binary(Model self) -> PyObject *"""
6814 return _IMP_kernel.Model__get_as_binary(self)
6816 def _set_from_binary(self, p):
6817 r"""_set_from_binary(Model self, PyObject * p)"""
6818 return _IMP_kernel.Model__set_from_binary(self, p)
6820 def __getstate__(self):
6821 p = self._get_as_binary()
6822 if len(self.__dict__) > 1:
6823 d = self.__dict__.copy()
6828 def __setstate__(self, p):
6829 if not hasattr(self,
'this'):
6831 if isinstance(p, tuple):
6833 self.__dict__.update(d)
6834 return self._set_from_binary(p)
6838 """Get the model's attribute array for IntKey k as a NumPy array.
6839 The array is indexed by ParticleIndex; particles that don't have
6840 this attribute will either be off the end of the array or will have
6842 This is a NumPy view that shares memory with the Model. Thus,
6843 any changes to values in this list will be reflected in the Model.
6844 Also, if the Model attribute array moves in memory (e.g. if particles
6845 or attributes are added) this array will be invalidated, so it is
6846 unsafe to keep it around long term.
6847 If read_only is set True, values in the array cannot be changed.
6849 return _get_ints_numpy(self, k, self, read_only)
6852 """Get the model's attribute array for any type of Key
6853 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6854 _numpy_meth_map = {IntKey: _get_ints_numpy,
6855 FloatKey: _get_floats_numpy,
6856 Vector3DKey: _get_vector3ds_numpy,
6857 Vector3DDerivKey: _get_vector3dderiv_numpy,
6858 Vector4DKey: _get_vector4ds_numpy,
6859 Vector4DDerivKey: _get_vector4dderiv_numpy,
6860 ParticleIndexKey: _get_particle_indexes_numpy}
6861 return _numpy_meth_map[type(k)](self, k, self, read_only)
6864 """Get the model's attribute array for FloatKey k as a NumPy array.
6865 See Model::get_ints_numpy() for more details."""
6866 return _get_floats_numpy(self, k, self, read_only)
6869 """Get the model's attribute derivatives array for key k
6870 as a NumPy array. See Model::get_ints_numpy() for more details."""
6872 FloatKey: _get_derivatives_numpy,
6873 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6874 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6875 return _numpy_meth_map[type(k)](self, k, self, read_only)
6878 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6879 See Model::get_ints_numpy() for more details."""
6880 return _get_vector3ds_numpy(self, k, self, read_only)
6883 """Get the model's XYZR attribute arrays as NumPy arrays.
6884 The attribute arrays for Cartesian coordinates and radii are
6885 stored separately from those for other FloatKeys. This function
6886 returns a tuple of two NumPy arrays, the first of coordinates and
6887 the second of radii. See Model::get_ints_numpy() for more details."""
6888 return _get_spheres_numpy(self, self, read_only)
6891 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6892 See Model::get_ints_numpy() for more details."""
6893 return _get_sphere_derivatives_numpy(self, self, read_only)
6896 """Get the model's internal coordinate array as a NumPy array.
6897 The attribute arrays for rigid body internal coordinates are
6898 stored separately from those for other FloatKeys.
6899 See Model::get_ints_numpy() for more details."""
6900 return _get_internal_coordinates_numpy(self, self, read_only)
6903 """Get the model's internal coordinate derivative array as a
6905 See Model::get_ints_numpy() for more details."""
6906 return _get_internal_coordinate_derivatives_numpy(
6907 self, self, read_only)
6911 _IMP_kernel.Model_swigregister(Model)
6913 r"""Proxy of C++ IMP::Decorator class."""
6915 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6916 __repr__ = _swig_repr
6918 def __init__(self, p):
6919 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6920 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6922 def __ne__(self, o):
6923 r"""__ne__(Decorator self, Object o) -> bool"""
6924 return _IMP_kernel.Decorator___ne__(self, o)
6926 def __lt__(self, o):
6927 r"""__lt__(Decorator self, Object o) -> bool"""
6928 return _IMP_kernel.Decorator___lt__(self, o)
6930 def __gt__(self, o):
6931 r"""__gt__(Decorator self, Object o) -> bool"""
6932 return _IMP_kernel.Decorator___gt__(self, o)
6934 def __ge__(self, o):
6935 r"""__ge__(Decorator self, Object o) -> bool"""
6936 return _IMP_kernel.Decorator___ge__(self, o)
6938 def __le__(self, o):
6939 r"""__le__(Decorator self, Object o) -> bool"""
6940 return _IMP_kernel.Decorator___le__(self, o)
6943 r"""get_particle(Decorator self) -> Particle"""
6944 return _IMP_kernel.Decorator_get_particle(self)
6946 def get_particle_index(self):
6947 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6948 return _IMP_kernel.Decorator_get_particle_index(self)
6950 def get_model(self):
6951 m = _IMP_kernel.Decorator_get_model(self)
6952 if m
in _models_set:
6953 m = _models_set_get(m)
6958 def get_is_valid(self):
6959 r"""get_is_valid(Decorator self) -> bool"""
6960 return _IMP_kernel.Decorator_get_is_valid(self)
6963 r"""__hash__(Decorator self) -> std::size_t"""
6964 return _IMP_kernel.Decorator___hash__(self)
6966 def __eq__(self, *args):
6968 __eq__(Decorator self, Object o) -> bool
6969 __eq__(Decorator self, Decorator o) -> bool
6970 __eq__(Decorator self, Particle o) -> bool
6972 return _IMP_kernel.Decorator___eq__(self, *args)
6975 r"""__bool__(Decorator self) -> bool"""
6976 return _IMP_kernel.Decorator___bool__(self)
6977 __swig_destroy__ = _IMP_kernel.delete_Decorator
6980 _IMP_kernel.Decorator_swigregister(Decorator)
6982 def check_particle(m, pi):
6983 r"""check_particle(Model m, ParticleIndex pi)"""
6984 return _IMP_kernel.check_particle(m, pi)
6986 r"""Proxy of C++ IMP::UnaryFunction class."""
6988 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6990 def __init__(self, *args):
6991 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6992 if self.__class__ == UnaryFunction:
6996 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6998 if self.__class__ != UnaryFunction:
6999 _director_objects.register(self)
7004 def evaluate(self, feature):
7005 r"""evaluate(UnaryFunction self, double feature) -> double"""
7006 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
7008 def evaluate_with_derivative(self, feature):
7009 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
7010 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
7011 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
7014 r"""__str__(UnaryFunction self) -> std::string"""
7015 return _IMP_kernel.UnaryFunction___str__(self)
7018 r"""__repr__(UnaryFunction self) -> std::string"""
7019 return _IMP_kernel.UnaryFunction___repr__(self)
7023 return _object_cast_to_UnaryFunction(o)
7026 def do_show(self, out):
7031 return _object_cast_to_UnaryFunction(o)
7035 """Return a JAX implementation of this UnaryFunction.
7036 Implement this method in a UnaryFunction subclass to provide
7037 an equivalent function using [JAX](https://docs.jax.dev/)
7038 that scores the provided feature value.
7040 raise NotImplementedError(
7041 f
"No JAX implementation for {self} ({type(self)})")
7043 def __disown__(self):
7045 _IMP_kernel.disown_UnaryFunction(self)
7046 return weakref.proxy(self)
7049 r"""do_destroy(UnaryFunction self)"""
7050 return _IMP_kernel.UnaryFunction_do_destroy(self)
7053 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
7055 r"""Proxy of C++ IMP::OptimizerState class."""
7057 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7059 def __init__(self, *args):
7061 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
7062 __init__(OptimizerState self) -> OptimizerState
7064 if self.__class__ == OptimizerState:
7068 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
7070 if self.__class__ != OptimizerState:
7071 _director_objects.register(self)
7077 r"""update(OptimizerState self)"""
7078 return _IMP_kernel.OptimizerState_update(self)
7080 def set_is_optimizing(self, arg0):
7081 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
7082 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
7084 def get_optimizer(self):
7085 r"""get_optimizer(OptimizerState self) -> Optimizer"""
7086 return _IMP_kernel.OptimizerState_get_optimizer(self)
7088 def set_period(self, p):
7089 r"""set_period(OptimizerState self, unsigned int p)"""
7090 return _IMP_kernel.OptimizerState_set_period(self, p)
7092 def get_period(self):
7093 r"""get_period(OptimizerState self) -> unsigned int"""
7094 return _IMP_kernel.OptimizerState_get_period(self)
7097 r"""reset(OptimizerState self)"""
7098 return _IMP_kernel.OptimizerState_reset(self)
7100 def update_always(self):
7101 r"""update_always(OptimizerState self)"""
7102 return _IMP_kernel.OptimizerState_update_always(self)
7104 def get_number_of_updates(self):
7105 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
7106 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
7108 def set_number_of_updates(self, n):
7109 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
7110 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
7111 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
7113 def do_update(self, arg0):
7114 r"""do_update(OptimizerState self, unsigned int arg0)"""
7115 return _IMP_kernel.OptimizerState_do_update(self, arg0)
7117 def do_set_is_optimizing(self, arg0):
7118 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
7119 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
7121 def do_get_inputs(self):
7122 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7123 return _IMP_kernel.OptimizerState_do_get_inputs(self)
7125 def do_get_outputs(self):
7126 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7127 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7130 r"""__str__(OptimizerState self) -> std::string"""
7131 return _IMP_kernel.OptimizerState___str__(self)
7134 r"""__repr__(OptimizerState self) -> std::string"""
7135 return _IMP_kernel.OptimizerState___repr__(self)
7139 return _object_cast_to_OptimizerState(o)
7142 def do_show(self, out):
7147 return _object_cast_to_OptimizerState(o)
7150 def _get_jax(self, state_index):
7151 """Add JAX support for this OptimizerState.
7153 Each OptimizerState must explicitly support how it is going to
7154 be called when the Optimizer is run via JAX.
7156 OptimizerStates can run as traditional IMP CPU code
7157 on the IMP Model object, in which case None should be returned here.
7158 The Optimizer will sync any necessary information from JAX back
7159 with the IMP Model before calling the OptimizerState. However,
7160 the OptimizerState is not permitted to modify the Model; any
7161 changes will not be propagated back to the Optimizer.
7162 (For example, a thermostat which tries to change particle
7163 velocities will not function correctly.)
7165 Alternatively, a pure JAX implementation can be provided.
7166 See _wrap_jax for more information.
7168 raise NotImplementedError(
7169 f
"No JAX implementation for {self} ({type(self)})")
7171 def _wrap_jax(self, init_func, apply_func):
7172 """Create the return value for _get_jax.
7173 Use this method in _get_jax() to wrap the JAX function
7174 with other OptimizerState-specific information.
7176 @param init_func a JAX function which, given a JAX Optimizer,
7177 does any necessary setup and returns a (possibly modified)
7178 JAX Optimizer. If any OptimizerState-specific
7179 persistent state is needed, it can be stored in
7180 `opt.optimizer_states[state_index]` and later retrieved or
7181 modified in apply_func.
7182 @param apply_func a JAX function which, given a JAX Optimizer,
7183 does the JAX equivalent of do_update() and returns a new
7186 from IMP._jax_util
import JAXOptimizerStateInfo
7187 return JAXOptimizerStateInfo(self, init_func, apply_func)
7189 def __disown__(self):
7191 _IMP_kernel.disown_OptimizerState(self)
7192 return weakref.proxy(self)
7195 r"""do_destroy(OptimizerState self)"""
7196 return _IMP_kernel.OptimizerState_do_destroy(self)
7198 def handle_set_has_required_score_states(self, arg0):
7199 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7200 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7202 def do_get_interactions(self):
7203 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7204 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7207 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7209 r"""Proxy of C++ IMP::Refiner class."""
7211 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7213 def __init__(self, *args):
7214 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7215 if self.__class__ == Refiner:
7219 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7221 if self.__class__ != Refiner:
7222 _director_objects.register(self)
7227 def get_can_refine(self, arg0):
7228 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7229 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7231 def get_refined_indexes(self, m, pi):
7232 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7233 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7235 def get_refined_indexes_by_ref(self, m, pi):
7236 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7237 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7239 def get_is_by_ref_supported(self):
7240 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7241 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7243 def get_refined(self, *args):
7245 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7246 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7248 return _IMP_kernel.Refiner_get_refined(self, *args)
7250 def get_number_of_refined(self, a):
7251 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7252 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7255 r"""__str__(Refiner self) -> std::string"""
7256 return _IMP_kernel.Refiner___str__(self)
7259 r"""__repr__(Refiner self) -> std::string"""
7260 return _IMP_kernel.Refiner___repr__(self)
7264 return _object_cast_to_Refiner(o)
7267 def do_show(self, out):
7272 return _object_cast_to_Refiner(o)
7274 __swig_destroy__ = _IMP_kernel.delete_Refiner
7275 def __disown__(self):
7277 _IMP_kernel.disown_Refiner(self)
7278 return weakref.proxy(self)
7280 def do_get_inputs(self, m, pis):
7281 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7282 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7285 r"""do_destroy(Refiner self)"""
7286 return _IMP_kernel.Refiner_do_destroy(self)
7289 _IMP_kernel.Refiner_swigregister(Refiner)
7291 r"""Proxy of C++ IMP::Optimizer class."""
7293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7295 def set_is_optimizing_states(self, tf):
7296 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7297 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7299 def get_optimizer_state_inputs(self):
7300 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7301 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7303 def do_get_inputs(self):
7304 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7305 return _IMP_kernel.Optimizer_do_get_inputs(self)
7307 def do_get_outputs(self):
7308 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7309 return _IMP_kernel.Optimizer_do_get_outputs(self)
7311 def __init__(self, *args):
7313 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7314 __init__(Optimizer self) -> Optimizer
7316 if self.__class__ == Optimizer:
7320 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7322 if self.__class__ != Optimizer:
7323 _director_objects.register(self)
7328 def optimize(self, max_steps):
7329 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7330 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7332 def set_stop_on_good_score(self, tf):
7333 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7334 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7336 def get_stop_on_good_score(self):
7337 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7338 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7340 def get_last_score(self):
7341 r"""get_last_score(Optimizer self) -> double"""
7342 return _IMP_kernel.Optimizer_get_last_score(self)
7344 def get_scoring_function(self):
7345 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7346 return _IMP_kernel.Optimizer_get_scoring_function(self)
7347 def __get_optimizer_states(self):
return _list_util.VarList(getdimfunc=self.get_number_of_optimizer_states, getfunc=self.get_optimizer_state, erasefunc=self.erase_optimizer_state, appendfunc=self.add_optimizer_state, extendfunc=self.add_optimizer_states, clearfunc=self.clear_optimizer_states, indexfunc=self._python_index_optimizer_state)
7348 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7349 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7350 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7352 def remove_optimizer_state(self, d):
7353 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7354 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7356 def _python_index_optimizer_state(self, d, start, stop):
7357 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7358 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7360 def remove_optimizer_states(self, d):
7361 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7362 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7364 def set_optimizer_states(self, ps):
7365 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7366 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7368 def set_optimizer_states_order(self, objs):
7369 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7370 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7372 def add_optimizer_state(self, obj):
7373 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7374 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7376 def add_optimizer_states(self, objs):
7377 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7378 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7380 def clear_optimizer_states(self):
7381 r"""clear_optimizer_states(Optimizer self)"""
7382 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7384 def get_number_of_optimizer_states(self):
7385 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7386 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7388 def get_has_optimizer_states(self):
7389 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7390 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7392 def get_optimizer_state(self, i):
7393 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7394 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7396 def get_optimizer_states(self):
7397 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7398 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7400 def erase_optimizer_state(self, i):
7401 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7402 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7404 def reserve_optimizer_states(self, sz):
7405 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7406 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7408 def set_scoring_function(self, sf):
7409 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7410 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7411 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7413 r"""__del__(Optimizer self)"""
7415 _director_objects.cleanup()
7421 def do_optimize(self, ns):
7422 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7423 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7425 def update_states(self):
7426 r"""update_states(Optimizer self)"""
7427 return _IMP_kernel.Optimizer_update_states(self)
7430 r"""__str__(Optimizer self) -> std::string"""
7431 return _IMP_kernel.Optimizer___str__(self)
7434 r"""__repr__(Optimizer self) -> std::string"""
7435 return _IMP_kernel.Optimizer___repr__(self)
7439 return _object_cast_to_Optimizer(o)
7442 def do_show(self, out):
7447 return _object_cast_to_Optimizer(o)
7449 def __disown__(self):
7451 _IMP_kernel.disown_Optimizer(self)
7452 return weakref.proxy(self)
7455 r"""do_destroy(Optimizer self)"""
7456 return _IMP_kernel.Optimizer_do_destroy(self)
7458 def handle_set_has_required_score_states(self, arg0):
7459 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7460 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7462 def do_get_interactions(self):
7463 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7464 return _IMP_kernel.Optimizer_do_get_interactions(self)
7467 _IMP_kernel.Optimizer_swigregister(Optimizer)
7469 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7471 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7473 def __init__(self, *args):
7475 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7476 __init__(AttributeOptimizer self) -> AttributeOptimizer
7478 if self.__class__ == AttributeOptimizer:
7482 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7484 if self.__class__ != AttributeOptimizer:
7485 _director_objects.register(self)
7490 def get_optimized_attributes(self):
7491 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7492 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7494 def set_value(self, fi, v):
7495 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7496 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7498 def get_value(self, fi):
7499 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7500 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7502 def get_derivative(self, fi):
7503 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7504 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7506 def get_width(self, k):
7507 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7508 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7510 def set_scaled_value(self, fi, v):
7511 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7512 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7514 def get_scaled_value(self, fi):
7515 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7516 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7518 def get_scaled_derivative(self, fi):
7519 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7520 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7522 def clear_range_cache(self):
7523 r"""clear_range_cache(AttributeOptimizer self)"""
7524 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7527 r"""__str__(AttributeOptimizer self) -> std::string"""
7528 return _IMP_kernel.AttributeOptimizer___str__(self)
7531 r"""__repr__(AttributeOptimizer self) -> std::string"""
7532 return _IMP_kernel.AttributeOptimizer___repr__(self)
7536 return _object_cast_to_AttributeOptimizer(o)
7539 def do_show(self, out):
7544 return _object_cast_to_AttributeOptimizer(o)
7546 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7547 def __disown__(self):
7549 _IMP_kernel.disown_AttributeOptimizer(self)
7550 return weakref.proxy(self)
7553 r"""do_destroy(AttributeOptimizer self)"""
7554 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7556 def handle_set_has_required_score_states(self, arg0):
7557 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7558 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7560 def do_get_inputs(self):
7561 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7562 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7564 def do_get_outputs(self):
7565 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7566 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7568 def do_get_interactions(self):
7569 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7570 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7572 def do_optimize(self, ns):
7573 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7574 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7577 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7579 r"""Proxy of C++ IMP::ConfigurationSet class."""
7581 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7583 def __init__(self, *args):
7584 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7585 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7587 def save_configuration(self):
7588 r"""save_configuration(ConfigurationSet self)"""
7589 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7591 def get_number_of_configurations(self):
7592 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7593 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7595 def load_configuration(self, i):
7596 r"""load_configuration(ConfigurationSet self, int i)"""
7597 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7599 def remove_configuration(self, i):
7600 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7601 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7603 def get_model(self):
7604 r"""get_model(ConfigurationSet self) -> Model"""
7605 return _IMP_kernel.ConfigurationSet_get_model(self)
7608 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7609 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7610 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7613 r"""__str__(ConfigurationSet self) -> std::string"""
7614 return _IMP_kernel.ConfigurationSet___str__(self)
7617 r"""__repr__(ConfigurationSet self) -> std::string"""
7618 return _IMP_kernel.ConfigurationSet___repr__(self)
7622 return _object_cast_to_ConfigurationSet(o)
7626 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7628 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7630 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7632 def __init__(self, cs):
7633 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7634 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7637 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7638 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7639 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7642 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7643 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7646 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7647 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7651 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7655 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7657 r"""Proxy of C++ IMP::Configuration class."""
7659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7661 def __init__(self, *args):
7663 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7664 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7665 __init__(Configuration self) -> Configuration
7667 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7669 def load_configuration(self):
7670 r"""load_configuration(Configuration self)"""
7671 return _IMP_kernel.Configuration_load_configuration(self)
7673 def swap_configuration(self):
7674 r"""swap_configuration(Configuration self)"""
7675 return _IMP_kernel.Configuration_swap_configuration(self)
7678 r"""get_version_info(Configuration self) -> VersionInfo"""
7679 return _IMP_kernel.Configuration_get_version_info(self)
7680 __swig_destroy__ = _IMP_kernel.delete_Configuration
7683 r"""__str__(Configuration self) -> std::string"""
7684 return _IMP_kernel.Configuration___str__(self)
7687 r"""__repr__(Configuration self) -> std::string"""
7688 return _IMP_kernel.Configuration___repr__(self)
7692 return _object_cast_to_Configuration(o)
7695 def _get_as_binary(self):
7696 r"""_get_as_binary(Configuration self) -> PyObject *"""
7697 return _IMP_kernel.Configuration__get_as_binary(self)
7699 def _set_from_binary(self, p):
7700 r"""_set_from_binary(Configuration self, PyObject * p)"""
7701 return _IMP_kernel.Configuration__set_from_binary(self, p)
7703 def __getstate__(self):
7704 p = self._get_as_binary()
7705 if len(self.__dict__) > 1:
7706 d = self.__dict__.copy()
7711 def __setstate__(self, p):
7712 if not hasattr(self,
'this'):
7714 if isinstance(p, tuple):
7716 self.__dict__.update(d)
7717 return self._set_from_binary(p)
7721 _IMP_kernel.Configuration_swigregister(Configuration)
7723 r"""Proxy of C++ IMP::Sampler class."""
7725 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7727 def __init__(self, *args):
7728 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7729 if self.__class__ == Sampler:
7733 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7735 if self.__class__ != Sampler:
7736 _director_objects.register(self)
7741 def create_sample(self):
7742 r"""create_sample(Sampler self) -> ConfigurationSet"""
7743 return _IMP_kernel.Sampler_create_sample(self)
7745 def get_scoring_function(self):
7746 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7747 return _IMP_kernel.Sampler_get_scoring_function(self)
7749 def set_scoring_function(self, sf):
7750 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7751 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7753 def get_model(self):
7754 r"""get_model(Sampler self) -> Model"""
7755 return _IMP_kernel.Sampler_get_model(self)
7757 def do_sample(self):
7758 r"""do_sample(Sampler self) -> ConfigurationSet"""
7759 return _IMP_kernel.Sampler_do_sample(self)
7760 __swig_destroy__ = _IMP_kernel.delete_Sampler
7763 r"""__str__(Sampler self) -> std::string"""
7764 return _IMP_kernel.Sampler___str__(self)
7767 r"""__repr__(Sampler self) -> std::string"""
7768 return _IMP_kernel.Sampler___repr__(self)
7772 return _object_cast_to_Sampler(o)
7775 def do_show(self, out):
7780 return _object_cast_to_Sampler(o)
7782 def __disown__(self):
7784 _IMP_kernel.disown_Sampler(self)
7785 return weakref.proxy(self)
7788 r"""do_destroy(Sampler self)"""
7789 return _IMP_kernel.Sampler_do_destroy(self)
7792 _IMP_kernel.Sampler_swigregister(Sampler)
7794 r"""Proxy of C++ IMP::PairModifier class."""
7796 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7798 def __init__(self, *args):
7799 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7800 if self.__class__ == PairModifier:
7804 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7806 if self.__class__ != PairModifier:
7807 _director_objects.register(self)
7812 def apply_index(self, m, v):
7813 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7814 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7816 def apply_indexes(self, m, o, lower_bound, upper_bound):
7817 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7818 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7820 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7821 r"""apply_indexes_moved(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7822 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7825 r"""__str__(PairModifier self) -> std::string"""
7826 return _IMP_kernel.PairModifier___str__(self)
7829 r"""__repr__(PairModifier self) -> std::string"""
7830 return _IMP_kernel.PairModifier___repr__(self)
7834 return _object_cast_to_PairModifier(o)
7837 def do_show(self, out):
7842 return _object_cast_to_PairModifier(o)
7844 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7845 def __disown__(self):
7847 _IMP_kernel.disown_PairModifier(self)
7848 return weakref.proxy(self)
7850 def do_get_inputs(self, m, pis):
7851 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7852 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7854 def do_get_outputs(self, m, pis):
7855 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7856 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7859 r"""do_destroy(PairModifier self)"""
7860 return _IMP_kernel.PairModifier_do_destroy(self)
7863 _IMP_kernel.PairModifier_swigregister(PairModifier)
7865 r"""Proxy of C++ IMP::PairScore class."""
7867 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7869 def __init__(self, *args):
7870 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7871 if self.__class__ == PairScore:
7875 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7877 if self.__class__ != PairScore:
7878 _director_objects.register(self)
7883 def evaluate_index(self, m, vt, da):
7884 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7885 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7887 def check_indexes(self, m, pis):
7888 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7889 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7891 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7892 r"""evaluate_indexes(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
7893 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7895 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7896 r"""evaluate_indexes_scores(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
7897 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7899 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7900 r"""evaluate_indexes_delta(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
7901 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7903 def evaluate_if_good_index(self, m, vt, da, max):
7904 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7905 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7907 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7908 r"""evaluate_if_good_indexes(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
7909 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7911 def create_current_decomposition(self, m, vt):
7912 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7913 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7915 def do_create_current_decomposition(self, m, vt):
7916 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7917 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7918 __swig_destroy__ = _IMP_kernel.delete_PairScore
7921 r"""__str__(PairScore self) -> std::string"""
7922 return _IMP_kernel.PairScore___str__(self)
7925 r"""__repr__(PairScore self) -> std::string"""
7926 return _IMP_kernel.PairScore___repr__(self)
7930 return _object_cast_to_PairScore(o)
7933 def do_show(self, out):
7938 return _object_cast_to_PairScore(o)
7941 def _wrap_jax(self, m, score_func, keys=None):
7942 """Create the return value for _get_jax.
7943 Use this method in _get_jax() to wrap the JAX scoring function
7944 with other score-specific information.
7946 @param m The IMP.Model that the score will act on.
7947 @param score_func A function implemented using JAX that takes
7948 one argument (the current JAX Model) and returns the total
7950 @param keys Model attributes used by the PairScore.
7951 See IMP::Restraint::_wrap_jax.
7953 from IMP._jax_util
import JAXScoreInfo
7954 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7956 def _get_jax(self, m, indexes, space):
7957 """Return a JAX implementation of this PairScore.
7958 Implement this method in a PairScore subclass to provide
7959 an equivalent function using [JAX](https://docs.jax.dev/)
7960 that scores the current JAX Model with a given set of
7961 ParticlePairIndexes. See also _wrap_jax.
7963 @param m The IMP.Model that the score will act on.
7964 @param indexes The ParticlePairIndexes that the score will act on.
7965 @param space The space in which the score is evaluated
7966 (e.g. a periodic box). See IMP._jax_util.Space.
7968 raise NotImplementedError(
7969 f
"No JAX implementation for {self} ({type(self)})")
7971 def __disown__(self):
7973 _IMP_kernel.disown_PairScore(self)
7974 return weakref.proxy(self)
7976 def do_get_inputs(self, m, pis):
7977 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7978 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7981 r"""do_destroy(PairScore self)"""
7982 return _IMP_kernel.PairScore_do_destroy(self)
7985 _IMP_kernel.PairScore_swigregister(PairScore)
7987 r"""Proxy of C++ IMP::PairPredicate class."""
7989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7991 def __init__(self, *args):
7992 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7993 if self.__class__ == PairPredicate:
7997 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7999 if self.__class__ != PairPredicate:
8000 _director_objects.register(self)
8005 def setup_for_get_value_index_in_batch(self, arg0):
8006 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
8007 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
8009 def get_value_index_in_batch(self, m, vt):
8010 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
8011 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
8013 def __call__(self, m, vt):
8014 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
8015 return _IMP_kernel.PairPredicate___call__(self, m, vt)
8017 def get_value_index(self, *args):
8019 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
8020 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
8022 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
8023 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
8026 r"""__str__(PairPredicate self) -> std::string"""
8027 return _IMP_kernel.PairPredicate___str__(self)
8030 r"""__repr__(PairPredicate self) -> std::string"""
8031 return _IMP_kernel.PairPredicate___repr__(self)
8035 return _object_cast_to_PairPredicate(o)
8038 def do_show(self, out):
8043 return _object_cast_to_PairPredicate(o)
8045 def __disown__(self):
8047 _IMP_kernel.disown_PairPredicate(self)
8048 return weakref.proxy(self)
8050 def do_get_inputs(self, m, pis):
8051 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8052 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
8055 r"""do_destroy(PairPredicate self)"""
8056 return _IMP_kernel.PairPredicate_do_destroy(self)
8059 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
8061 r"""Proxy of C++ IMP::PairContainer class."""
8063 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8065 def apply_generic(self, m):
8066 r"""apply_generic(PairContainer self, PairModifier m)"""
8067 return _IMP_kernel.PairContainer_apply_generic(self, m)
8069 def apply_generic_moved(self, m, moved_pis, reset_pis):
8070 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8071 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8073 def apply(self, sm):
8074 r"""apply(PairContainer self, PairModifier sm)"""
8075 return _IMP_kernel.PairContainer_apply(self, sm)
8077 def apply_moved(self, sm, moved_pis, reset_pis):
8078 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8079 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
8081 def get_range_indexes(self):
8082 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
8083 return _IMP_kernel.PairContainer_get_range_indexes(self)
8085 def get_contents(self):
8086 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
8087 return _IMP_kernel.PairContainer_get_contents(self)
8090 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
8091 return _IMP_kernel.PairContainer_get_indexes(self)
8093 def get(self, *args):
8095 get(PairContainer self) -> IMP::ParticlePairsTemp
8096 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
8098 return _IMP_kernel.PairContainer_get(self, *args)
8100 def get_number(self):
8101 r"""get_number(PairContainer self) -> unsigned int"""
8102 return _IMP_kernel.PairContainer_get_number(self)
8104 def __init__(self, *args):
8106 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
8107 __init__(PairContainer self) -> PairContainer
8109 if self.__class__ == PairContainer:
8113 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
8115 if self.__class__ != PairContainer:
8116 _director_objects.register(self)
8121 def do_apply(self, sm):
8122 r"""do_apply(PairContainer self, PairModifier sm)"""
8123 return _IMP_kernel.PairContainer_do_apply(self, sm)
8125 def do_apply_moved(self, sm, moved_pis, reset_pis):
8126 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8127 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8129 def do_get_provides_access(self):
8130 r"""do_get_provides_access(PairContainer self) -> bool"""
8131 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8132 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8135 r"""__str__(PairContainer self) -> std::string"""
8136 return _IMP_kernel.PairContainer___str__(self)
8139 r"""__repr__(PairContainer self) -> std::string"""
8140 return _IMP_kernel.PairContainer___repr__(self)
8144 return _object_cast_to_PairContainer(o)
8147 def do_show(self, out):
8152 return _object_cast_to_PairContainer(o)
8154 def __disown__(self):
8156 _IMP_kernel.disown_PairContainer(self)
8157 return weakref.proxy(self)
8160 r"""do_destroy(PairContainer self)"""
8161 return _IMP_kernel.PairContainer_do_destroy(self)
8163 def handle_set_has_required_score_states(self, arg0):
8164 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8165 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8167 def do_get_inputs(self):
8168 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8169 return _IMP_kernel.PairContainer_do_get_inputs(self)
8171 def do_get_interactions(self):
8172 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8173 return _IMP_kernel.PairContainer_do_get_interactions(self)
8175 def do_get_contents_hash(self):
8176 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8177 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8180 _IMP_kernel.PairContainer_swigregister(PairContainer)
8181 class _PairContainerAdaptor(_InputAdaptor):
8182 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8184 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8185 __repr__ = _swig_repr
8187 def __init__(self, *args):
8189 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8190 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8191 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8193 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8195 def set_name_if_default(self, name):
8196 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8197 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8198 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8201 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8203 r"""Proxy of C++ IMP::QuadModifier class."""
8205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8207 def __init__(self, *args):
8208 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8209 if self.__class__ == QuadModifier:
8213 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8215 if self.__class__ != QuadModifier:
8216 _director_objects.register(self)
8221 def apply_index(self, m, v):
8222 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8223 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8225 def apply_indexes(self, m, o, lower_bound, upper_bound):
8226 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8227 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8229 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8230 r"""apply_indexes_moved(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8231 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8234 r"""__str__(QuadModifier self) -> std::string"""
8235 return _IMP_kernel.QuadModifier___str__(self)
8238 r"""__repr__(QuadModifier self) -> std::string"""
8239 return _IMP_kernel.QuadModifier___repr__(self)
8243 return _object_cast_to_QuadModifier(o)
8246 def do_show(self, out):
8251 return _object_cast_to_QuadModifier(o)
8253 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8254 def __disown__(self):
8256 _IMP_kernel.disown_QuadModifier(self)
8257 return weakref.proxy(self)
8259 def do_get_inputs(self, m, pis):
8260 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8261 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8263 def do_get_outputs(self, m, pis):
8264 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8265 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8268 r"""do_destroy(QuadModifier self)"""
8269 return _IMP_kernel.QuadModifier_do_destroy(self)
8272 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8274 r"""Proxy of C++ IMP::QuadScore class."""
8276 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8278 def __init__(self, *args):
8279 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8280 if self.__class__ == QuadScore:
8284 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8286 if self.__class__ != QuadScore:
8287 _director_objects.register(self)
8292 def evaluate_index(self, m, vt, da):
8293 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8294 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8296 def check_indexes(self, m, pis):
8297 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8298 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8300 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8301 r"""evaluate_indexes(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8302 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8304 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8305 r"""evaluate_indexes_scores(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8306 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8308 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8309 r"""evaluate_indexes_delta(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8310 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8312 def evaluate_if_good_index(self, m, vt, da, max):
8313 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8314 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8316 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8317 r"""evaluate_if_good_indexes(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8318 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8320 def create_current_decomposition(self, m, vt):
8321 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8322 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8324 def do_create_current_decomposition(self, m, vt):
8325 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8326 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8327 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8330 r"""__str__(QuadScore self) -> std::string"""
8331 return _IMP_kernel.QuadScore___str__(self)
8334 r"""__repr__(QuadScore self) -> std::string"""
8335 return _IMP_kernel.QuadScore___repr__(self)
8339 return _object_cast_to_QuadScore(o)
8342 def do_show(self, out):
8347 return _object_cast_to_QuadScore(o)
8349 def __disown__(self):
8351 _IMP_kernel.disown_QuadScore(self)
8352 return weakref.proxy(self)
8354 def do_get_inputs(self, m, pis):
8355 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8356 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8359 r"""do_destroy(QuadScore self)"""
8360 return _IMP_kernel.QuadScore_do_destroy(self)
8363 _IMP_kernel.QuadScore_swigregister(QuadScore)
8365 r"""Proxy of C++ IMP::QuadPredicate class."""
8367 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8369 def __init__(self, *args):
8370 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8371 if self.__class__ == QuadPredicate:
8375 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8377 if self.__class__ != QuadPredicate:
8378 _director_objects.register(self)
8383 def setup_for_get_value_index_in_batch(self, arg0):
8384 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8385 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8387 def get_value_index_in_batch(self, m, vt):
8388 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8389 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8391 def __call__(self, m, vt):
8392 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8393 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8395 def get_value_index(self, *args):
8397 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8398 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8400 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8401 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8404 r"""__str__(QuadPredicate self) -> std::string"""
8405 return _IMP_kernel.QuadPredicate___str__(self)
8408 r"""__repr__(QuadPredicate self) -> std::string"""
8409 return _IMP_kernel.QuadPredicate___repr__(self)
8413 return _object_cast_to_QuadPredicate(o)
8416 def do_show(self, out):
8421 return _object_cast_to_QuadPredicate(o)
8423 def __disown__(self):
8425 _IMP_kernel.disown_QuadPredicate(self)
8426 return weakref.proxy(self)
8428 def do_get_inputs(self, m, pis):
8429 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8430 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8433 r"""do_destroy(QuadPredicate self)"""
8434 return _IMP_kernel.QuadPredicate_do_destroy(self)
8437 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8439 r"""Proxy of C++ IMP::QuadContainer class."""
8441 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8443 def apply_generic(self, m):
8444 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8445 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8447 def apply_generic_moved(self, m, moved_pis, reset_pis):
8448 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8449 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8451 def apply(self, sm):
8452 r"""apply(QuadContainer self, QuadModifier sm)"""
8453 return _IMP_kernel.QuadContainer_apply(self, sm)
8455 def apply_moved(self, sm, moved_pis, reset_pis):
8456 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8457 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8459 def get_range_indexes(self):
8460 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8461 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8463 def get_contents(self):
8464 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8465 return _IMP_kernel.QuadContainer_get_contents(self)
8468 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8469 return _IMP_kernel.QuadContainer_get_indexes(self)
8471 def get(self, *args):
8473 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8474 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8476 return _IMP_kernel.QuadContainer_get(self, *args)
8478 def get_number(self):
8479 r"""get_number(QuadContainer self) -> unsigned int"""
8480 return _IMP_kernel.QuadContainer_get_number(self)
8482 def __init__(self, *args):
8484 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8485 __init__(QuadContainer self) -> QuadContainer
8487 if self.__class__ == QuadContainer:
8491 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8493 if self.__class__ != QuadContainer:
8494 _director_objects.register(self)
8499 def do_apply(self, sm):
8500 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8501 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8503 def do_apply_moved(self, sm, moved_pis, reset_pis):
8504 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8505 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8507 def do_get_provides_access(self):
8508 r"""do_get_provides_access(QuadContainer self) -> bool"""
8509 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8510 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8513 r"""__str__(QuadContainer self) -> std::string"""
8514 return _IMP_kernel.QuadContainer___str__(self)
8517 r"""__repr__(QuadContainer self) -> std::string"""
8518 return _IMP_kernel.QuadContainer___repr__(self)
8522 return _object_cast_to_QuadContainer(o)
8525 def do_show(self, out):
8530 return _object_cast_to_QuadContainer(o)
8532 def __disown__(self):
8534 _IMP_kernel.disown_QuadContainer(self)
8535 return weakref.proxy(self)
8538 r"""do_destroy(QuadContainer self)"""
8539 return _IMP_kernel.QuadContainer_do_destroy(self)
8541 def handle_set_has_required_score_states(self, arg0):
8542 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8543 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8545 def do_get_inputs(self):
8546 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8547 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8549 def do_get_interactions(self):
8550 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8551 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8553 def do_get_contents_hash(self):
8554 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8555 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8558 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8559 class _QuadContainerAdaptor(_InputAdaptor):
8560 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8562 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8563 __repr__ = _swig_repr
8565 def __init__(self, *args):
8567 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8568 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8569 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8571 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8573 def set_name_if_default(self, name):
8574 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8575 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8576 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8579 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8581 r"""Proxy of C++ IMP::SingletonModifier class."""
8583 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8585 def __init__(self, *args):
8586 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8587 if self.__class__ == SingletonModifier:
8591 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8593 if self.__class__ != SingletonModifier:
8594 _director_objects.register(self)
8599 def apply_index(self, m, v):
8600 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8601 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8603 def apply_indexes(self, m, o, lower_bound, upper_bound):
8604 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8605 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8607 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8608 r"""apply_indexes_moved(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8609 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8612 r"""__str__(SingletonModifier self) -> std::string"""
8613 return _IMP_kernel.SingletonModifier___str__(self)
8616 r"""__repr__(SingletonModifier self) -> std::string"""
8617 return _IMP_kernel.SingletonModifier___repr__(self)
8621 return _object_cast_to_SingletonModifier(o)
8624 def do_show(self, out):
8629 return _object_cast_to_SingletonModifier(o)
8632 def _wrap_jax(self, apply_func, keys=None):
8633 """Create the return value for _get_jax.
8634 Use this method in _get_jax() to wrap the JAX function
8635 with other modifier-specific information.
8637 @param apply_func A function implemented using JAX that takes
8638 one argument (the current JAX Model) and returns a new
8640 @param keys Model attributes used by the SingletonModifier.
8641 See IMP::Restraint::_wrap_jax.
8643 from IMP._jax_util
import JAXModifierInfo
8644 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8646 def _get_jax(self, m, indexes):
8647 """Return a JAX implementation of this SingletonModifier.
8648 Implement this method in a SingletonModifier subclass to provide
8649 an equivalent function using [JAX](https://docs.jax.dev/)
8650 that modifies the current JAX Model. See also _wrap_jax.
8652 @param m The IMP.Model that the modifier will act on.
8653 @param indexes The ParticleIndexes that the modifier will act on.
8655 raise NotImplementedError(
8656 f
"No JAX implementation for {self} ({type(self)})")
8658 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8659 def __disown__(self):
8661 _IMP_kernel.disown_SingletonModifier(self)
8662 return weakref.proxy(self)
8664 def do_get_inputs(self, m, pis):
8665 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8666 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8668 def do_get_outputs(self, m, pis):
8669 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8670 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8673 r"""do_destroy(SingletonModifier self)"""
8674 return _IMP_kernel.SingletonModifier_do_destroy(self)
8677 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8679 r"""Proxy of C++ IMP::SingletonScore class."""
8681 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8683 def __init__(self, *args):
8684 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8685 if self.__class__ == SingletonScore:
8689 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8691 if self.__class__ != SingletonScore:
8692 _director_objects.register(self)
8697 def evaluate_index(self, m, vt, da):
8698 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8699 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8701 def check_indexes(self, m, pis):
8702 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8703 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8705 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8706 r"""evaluate_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8707 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8709 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8710 r"""evaluate_indexes_scores(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8711 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8713 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8714 r"""evaluate_indexes_delta(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8715 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8717 def evaluate_if_good_index(self, m, vt, da, max):
8718 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8719 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8721 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8722 r"""evaluate_if_good_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8723 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8725 def create_current_decomposition(self, m, vt):
8726 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8727 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8729 def do_create_current_decomposition(self, m, vt):
8730 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8731 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8732 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8735 r"""__str__(SingletonScore self) -> std::string"""
8736 return _IMP_kernel.SingletonScore___str__(self)
8739 r"""__repr__(SingletonScore self) -> std::string"""
8740 return _IMP_kernel.SingletonScore___repr__(self)
8744 return _object_cast_to_SingletonScore(o)
8747 def do_show(self, out):
8752 return _object_cast_to_SingletonScore(o)
8755 def _wrap_jax(self, m, score_func, keys=None):
8756 """See IMP::PairScore::_wrap_jax"""
8757 from IMP._jax_util
import JAXScoreInfo
8758 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8760 def _get_jax(self, m, indexes, space):
8761 """See IMP::PairScore::_get_jax"""
8762 raise NotImplementedError(
8763 f
"No JAX implementation for {self} ({type(self)})")
8765 def __disown__(self):
8767 _IMP_kernel.disown_SingletonScore(self)
8768 return weakref.proxy(self)
8770 def do_get_inputs(self, m, pis):
8771 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8772 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8775 r"""do_destroy(SingletonScore self)"""
8776 return _IMP_kernel.SingletonScore_do_destroy(self)
8779 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8781 r"""Proxy of C++ IMP::SingletonPredicate class."""
8783 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8785 def __init__(self, *args):
8786 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8787 if self.__class__ == SingletonPredicate:
8791 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8793 if self.__class__ != SingletonPredicate:
8794 _director_objects.register(self)
8799 def setup_for_get_value_index_in_batch(self, arg0):
8800 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8801 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8803 def get_value_index_in_batch(self, m, vt):
8804 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8805 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8807 def __call__(self, m, vt):
8808 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8809 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8811 def get_value_index(self, *args):
8813 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8814 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8816 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8817 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8820 r"""__str__(SingletonPredicate self) -> std::string"""
8821 return _IMP_kernel.SingletonPredicate___str__(self)
8824 r"""__repr__(SingletonPredicate self) -> std::string"""
8825 return _IMP_kernel.SingletonPredicate___repr__(self)
8829 return _object_cast_to_SingletonPredicate(o)
8832 def do_show(self, out):
8837 return _object_cast_to_SingletonPredicate(o)
8839 def __disown__(self):
8841 _IMP_kernel.disown_SingletonPredicate(self)
8842 return weakref.proxy(self)
8844 def do_get_inputs(self, m, pis):
8845 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8846 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8849 r"""do_destroy(SingletonPredicate self)"""
8850 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8853 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8855 r"""Proxy of C++ IMP::SingletonContainer class."""
8857 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8859 def apply_generic(self, m):
8860 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8861 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8863 def apply_generic_moved(self, m, moved_pis, reset_pis):
8864 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8865 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8867 def apply(self, sm):
8868 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8869 return _IMP_kernel.SingletonContainer_apply(self, sm)
8871 def apply_moved(self, sm, moved_pis, reset_pis):
8872 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8873 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8875 def get_range_indexes(self):
8876 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8877 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8879 def get_contents(self):
8880 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8881 return _IMP_kernel.SingletonContainer_get_contents(self)
8884 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8885 return _IMP_kernel.SingletonContainer_get_indexes(self)
8887 def get(self, *args):
8889 get(SingletonContainer self) -> IMP::ParticlesTemp
8890 get(SingletonContainer self, unsigned int i) -> Particle
8892 return _IMP_kernel.SingletonContainer_get(self, *args)
8894 def get_number(self):
8895 r"""get_number(SingletonContainer self) -> unsigned int"""
8896 return _IMP_kernel.SingletonContainer_get_number(self)
8898 def __init__(self, *args):
8900 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8901 __init__(SingletonContainer self) -> SingletonContainer
8903 if self.__class__ == SingletonContainer:
8907 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8909 if self.__class__ != SingletonContainer:
8910 _director_objects.register(self)
8915 def do_apply(self, sm):
8916 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8917 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8919 def do_apply_moved(self, sm, moved_pis, reset_pis):
8920 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8921 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8923 def do_get_provides_access(self):
8924 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8925 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8926 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8929 r"""__str__(SingletonContainer self) -> std::string"""
8930 return _IMP_kernel.SingletonContainer___str__(self)
8933 r"""__repr__(SingletonContainer self) -> std::string"""
8934 return _IMP_kernel.SingletonContainer___repr__(self)
8938 return _object_cast_to_SingletonContainer(o)
8941 def do_show(self, out):
8946 return _object_cast_to_SingletonContainer(o)
8948 def __disown__(self):
8950 _IMP_kernel.disown_SingletonContainer(self)
8951 return weakref.proxy(self)
8954 r"""do_destroy(SingletonContainer self)"""
8955 return _IMP_kernel.SingletonContainer_do_destroy(self)
8957 def handle_set_has_required_score_states(self, arg0):
8958 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8959 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8961 def do_get_inputs(self):
8962 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8963 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8965 def do_get_interactions(self):
8966 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8967 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8969 def do_get_contents_hash(self):
8970 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8971 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8974 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8975 class _SingletonContainerAdaptor(_InputAdaptor):
8976 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8979 __repr__ = _swig_repr
8981 def __init__(self, *args):
8983 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8984 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8985 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8987 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8989 def set_name_if_default(self, name):
8990 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8991 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8992 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8995 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8997 r"""Proxy of C++ IMP::TripletModifier class."""
8999 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9001 def __init__(self, *args):
9002 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
9003 if self.__class__ == TripletModifier:
9007 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
9009 if self.__class__ != TripletModifier:
9010 _director_objects.register(self)
9015 def apply_index(self, m, v):
9016 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
9017 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
9019 def apply_indexes(self, m, o, lower_bound, upper_bound):
9020 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
9021 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
9023 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
9024 r"""apply_indexes_moved(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9025 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
9028 r"""__str__(TripletModifier self) -> std::string"""
9029 return _IMP_kernel.TripletModifier___str__(self)
9032 r"""__repr__(TripletModifier self) -> std::string"""
9033 return _IMP_kernel.TripletModifier___repr__(self)
9037 return _object_cast_to_TripletModifier(o)
9040 def do_show(self, out):
9045 return _object_cast_to_TripletModifier(o)
9047 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
9048 def __disown__(self):
9050 _IMP_kernel.disown_TripletModifier(self)
9051 return weakref.proxy(self)
9053 def do_get_inputs(self, m, pis):
9054 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9055 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
9057 def do_get_outputs(self, m, pis):
9058 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9059 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
9062 r"""do_destroy(TripletModifier self)"""
9063 return _IMP_kernel.TripletModifier_do_destroy(self)
9066 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
9068 r"""Proxy of C++ IMP::TripletScore class."""
9070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9072 def __init__(self, *args):
9073 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
9074 if self.__class__ == TripletScore:
9078 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
9080 if self.__class__ != TripletScore:
9081 _director_objects.register(self)
9086 def evaluate_index(self, m, vt, da):
9087 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
9088 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
9090 def check_indexes(self, m, pis):
9091 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
9092 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
9094 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
9095 r"""evaluate_indexes(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9096 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
9098 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9099 r"""evaluate_indexes_scores(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9100 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
9102 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
9103 r"""evaluate_indexes_delta(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9104 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
9106 def evaluate_if_good_index(self, m, vt, da, max):
9107 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
9108 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
9110 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9111 r"""evaluate_if_good_indexes(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9112 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
9114 def create_current_decomposition(self, m, vt):
9115 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9116 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
9118 def do_create_current_decomposition(self, m, vt):
9119 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9120 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
9121 __swig_destroy__ = _IMP_kernel.delete_TripletScore
9124 r"""__str__(TripletScore self) -> std::string"""
9125 return _IMP_kernel.TripletScore___str__(self)
9128 r"""__repr__(TripletScore self) -> std::string"""
9129 return _IMP_kernel.TripletScore___repr__(self)
9133 return _object_cast_to_TripletScore(o)
9136 def do_show(self, out):
9141 return _object_cast_to_TripletScore(o)
9143 def __disown__(self):
9145 _IMP_kernel.disown_TripletScore(self)
9146 return weakref.proxy(self)
9148 def do_get_inputs(self, m, pis):
9149 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9150 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9153 r"""do_destroy(TripletScore self)"""
9154 return _IMP_kernel.TripletScore_do_destroy(self)
9157 _IMP_kernel.TripletScore_swigregister(TripletScore)
9159 r"""Proxy of C++ IMP::TripletPredicate class."""
9161 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9163 def __init__(self, *args):
9164 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9165 if self.__class__ == TripletPredicate:
9169 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9171 if self.__class__ != TripletPredicate:
9172 _director_objects.register(self)
9177 def setup_for_get_value_index_in_batch(self, arg0):
9178 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9179 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9181 def get_value_index_in_batch(self, m, vt):
9182 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9183 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9185 def __call__(self, m, vt):
9186 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9187 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9189 def get_value_index(self, *args):
9191 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9192 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9194 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9195 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9198 r"""__str__(TripletPredicate self) -> std::string"""
9199 return _IMP_kernel.TripletPredicate___str__(self)
9202 r"""__repr__(TripletPredicate self) -> std::string"""
9203 return _IMP_kernel.TripletPredicate___repr__(self)
9207 return _object_cast_to_TripletPredicate(o)
9210 def do_show(self, out):
9215 return _object_cast_to_TripletPredicate(o)
9217 def __disown__(self):
9219 _IMP_kernel.disown_TripletPredicate(self)
9220 return weakref.proxy(self)
9222 def do_get_inputs(self, m, pis):
9223 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9224 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9227 r"""do_destroy(TripletPredicate self)"""
9228 return _IMP_kernel.TripletPredicate_do_destroy(self)
9231 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9233 r"""Proxy of C++ IMP::TripletContainer class."""
9235 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9237 def apply_generic(self, m):
9238 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9239 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9241 def apply_generic_moved(self, m, moved_pis, reset_pis):
9242 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9243 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9245 def apply(self, sm):
9246 r"""apply(TripletContainer self, TripletModifier sm)"""
9247 return _IMP_kernel.TripletContainer_apply(self, sm)
9249 def apply_moved(self, sm, moved_pis, reset_pis):
9250 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9251 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9253 def get_range_indexes(self):
9254 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9255 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9257 def get_contents(self):
9258 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9259 return _IMP_kernel.TripletContainer_get_contents(self)
9262 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9263 return _IMP_kernel.TripletContainer_get_indexes(self)
9265 def get(self, *args):
9267 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9268 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9270 return _IMP_kernel.TripletContainer_get(self, *args)
9272 def get_number(self):
9273 r"""get_number(TripletContainer self) -> unsigned int"""
9274 return _IMP_kernel.TripletContainer_get_number(self)
9276 def __init__(self, *args):
9278 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9279 __init__(TripletContainer self) -> TripletContainer
9281 if self.__class__ == TripletContainer:
9285 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9287 if self.__class__ != TripletContainer:
9288 _director_objects.register(self)
9293 def do_apply(self, sm):
9294 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9295 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9297 def do_apply_moved(self, sm, moved_pis, reset_pis):
9298 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9299 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9301 def do_get_provides_access(self):
9302 r"""do_get_provides_access(TripletContainer self) -> bool"""
9303 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9304 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9307 r"""__str__(TripletContainer self) -> std::string"""
9308 return _IMP_kernel.TripletContainer___str__(self)
9311 r"""__repr__(TripletContainer self) -> std::string"""
9312 return _IMP_kernel.TripletContainer___repr__(self)
9316 return _object_cast_to_TripletContainer(o)
9319 def do_show(self, out):
9324 return _object_cast_to_TripletContainer(o)
9326 def __disown__(self):
9328 _IMP_kernel.disown_TripletContainer(self)
9329 return weakref.proxy(self)
9332 r"""do_destroy(TripletContainer self)"""
9333 return _IMP_kernel.TripletContainer_do_destroy(self)
9335 def handle_set_has_required_score_states(self, arg0):
9336 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9337 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9339 def do_get_inputs(self):
9340 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9341 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9343 def do_get_interactions(self):
9344 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9345 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9347 def do_get_contents_hash(self):
9348 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9349 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9352 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9353 class _TripletContainerAdaptor(_InputAdaptor):
9354 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9357 __repr__ = _swig_repr
9359 def __init__(self, *args):
9361 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9362 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9363 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9365 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9367 def set_name_if_default(self, name):
9368 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9369 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9370 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9373 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9376 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9377 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9380 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9381 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9384 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9385 return _IMP_kernel.get_particles(m, ps)
9389 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9390 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9392 return _IMP_kernel.get_indexes(*args)
9393 class _ParticleIndexAdaptor(object):
9394 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9397 __repr__ = _swig_repr
9399 def __init__(self, *args):
9401 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9402 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9403 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9405 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9406 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9409 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9410 class _ParticleIndexesAdaptor(_InputAdaptor):
9411 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9414 __repr__ = _swig_repr
9416 def __init__(self, *args):
9418 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9419 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9420 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9422 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9423 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9426 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9427 class _ParticleIndexPairsAdaptor(object):
9428 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9430 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9431 __repr__ = _swig_repr
9433 def __init__(self, *args):
9435 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9436 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9437 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9439 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9440 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9443 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9445 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9447 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9449 def __init__(self, *args):
9451 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9452 __init__(_ConstRestraint self) -> _ConstRestraint
9454 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9456 def get_value(self):
9457 r"""get_value(_ConstRestraint self) -> double"""
9458 return _IMP_kernel._ConstRestraint_get_value(self)
9460 def do_create_decomposition(self):
9461 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9462 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9464 def do_get_inputs(self):
9465 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9466 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9469 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9470 return _IMP_kernel._ConstRestraint_get_version_info(self)
9471 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9474 r"""__str__(_ConstRestraint self) -> std::string"""
9475 return _IMP_kernel._ConstRestraint___str__(self)
9478 r"""__repr__(_ConstRestraint self) -> std::string"""
9479 return _IMP_kernel._ConstRestraint___repr__(self)
9483 return _object_cast_to__ConstRestraint(o)
9486 def _get_as_binary(self):
9487 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9488 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9490 def _set_from_binary(self, p):
9491 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9492 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9494 def __getstate__(self):
9495 p = self._get_as_binary()
9496 if len(self.__dict__) > 1:
9497 d = self.__dict__.copy()
9502 def __setstate__(self, p):
9503 if not hasattr(self,
'this'):
9505 if isinstance(p, tuple):
9507 self.__dict__.update(d)
9508 return self._set_from_binary(p)
9511 def _get_jax(self, space):
9512 value = self.get_value()
9514 return self._wrap_jax(
lambda jm: value)
9518 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9520 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9524 def __init__(self, *args):
9526 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9527 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9529 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9531 def get_value(self):
9532 r"""get_value(_ConstSingletonScore self) -> double"""
9533 return _IMP_kernel._ConstSingletonScore_get_value(self)
9535 def do_get_inputs(self, arg2, arg3):
9536 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9537 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9539 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9540 r"""evaluate_indexes(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9541 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9543 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9544 r"""evaluate_indexes_scores(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9545 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9547 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9548 r"""evaluate_indexes_delta(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9549 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9551 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9552 r"""evaluate_if_good_indexes(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9553 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9556 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9557 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9558 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9561 r"""__str__(_ConstSingletonScore self) -> std::string"""
9562 return _IMP_kernel._ConstSingletonScore___str__(self)
9565 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9566 return _IMP_kernel._ConstSingletonScore___repr__(self)
9570 return _object_cast_to__ConstSingletonScore(o)
9573 def _get_as_binary(self):
9574 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9575 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9577 def _set_from_binary(self, p):
9578 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9579 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9581 def __getstate__(self):
9582 p = self._get_as_binary()
9583 if len(self.__dict__) > 1:
9584 d = self.__dict__.copy()
9589 def __setstate__(self, p):
9590 if not hasattr(self,
'this'):
9592 if isinstance(p, tuple):
9594 self.__dict__.update(d)
9595 return self._set_from_binary(p)
9598 def _get_jax(self, m, indexes, space):
9599 value = self.get_value()
9601 return self._wrap_jax(m,
lambda jm: value)
9605 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9607 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9609 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9611 def __init__(self, *args):
9613 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9614 __init__(_ConstPairScore self) -> _ConstPairScore
9616 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9618 def get_value(self):
9619 r"""get_value(_ConstPairScore self) -> double"""
9620 return _IMP_kernel._ConstPairScore_get_value(self)
9622 def do_get_inputs(self, arg2, arg3):
9623 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9624 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9626 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9627 r"""evaluate_indexes(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9628 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9630 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9631 r"""evaluate_indexes_scores(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9632 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9634 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9635 r"""evaluate_indexes_delta(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9636 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9638 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9639 r"""evaluate_if_good_indexes(_ConstPairScore 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"""
9640 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9643 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9644 return _IMP_kernel._ConstPairScore_get_version_info(self)
9645 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9648 r"""__str__(_ConstPairScore self) -> std::string"""
9649 return _IMP_kernel._ConstPairScore___str__(self)
9652 r"""__repr__(_ConstPairScore self) -> std::string"""
9653 return _IMP_kernel._ConstPairScore___repr__(self)
9657 return _object_cast_to__ConstPairScore(o)
9660 def _get_as_binary(self):
9661 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9662 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9664 def _set_from_binary(self, p):
9665 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9666 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9668 def __getstate__(self):
9669 p = self._get_as_binary()
9670 if len(self.__dict__) > 1:
9671 d = self.__dict__.copy()
9676 def __setstate__(self, p):
9677 if not hasattr(self,
'this'):
9679 if isinstance(p, tuple):
9681 self.__dict__.update(d)
9682 return self._set_from_binary(p)
9685 def _get_jax(self, m, indexes, space):
9686 value = self.get_value()
9688 return self._wrap_jax(m,
lambda jm: value)
9692 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9694 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9698 def __init__(self, *args):
9700 __init__(_TrivialDecorator self) -> _TrivialDecorator
9701 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9702 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9704 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9706 def show(self, *args):
9707 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9708 return _IMP_kernel._TrivialDecorator_show(self, *args)
9711 def setup_particle(*args):
9713 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9714 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9716 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9719 def get_is_setup(*args):
9721 get_is_setup(_ParticleAdaptor p) -> bool
9722 get_is_setup(Model m, ParticleIndex pi) -> bool
9724 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9728 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9729 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9730 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9731 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9732 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9733 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9734 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9735 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9736 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9737 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9738 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9739 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9741 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9743 def get_value(self, *args):
9745 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9746 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9747 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9748 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9749 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9750 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9751 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9752 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9753 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9754 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9755 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9757 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9759 def set_value(self, *args):
9761 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9762 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9763 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9764 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9765 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9766 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9767 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9768 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9769 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9770 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9771 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9773 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9777 remove_attribute(_TrivialDecorator self, FloatKey a0)
9778 remove_attribute(_TrivialDecorator self, IntKey a0)
9779 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9780 remove_attribute(_TrivialDecorator self, IntsKey a0)
9781 remove_attribute(_TrivialDecorator self, StringKey a0)
9782 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9783 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9784 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9785 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9786 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9787 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9789 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9791 def has_attribute(self, *args):
9793 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9794 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9795 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9796 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9797 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9798 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9799 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9800 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9801 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9802 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9803 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9805 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9807 def get_derivative(self, a0):
9808 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9809 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9812 r"""get_name(_TrivialDecorator self) -> std::string"""
9813 return _IMP_kernel._TrivialDecorator_get_name(self)
9816 r"""clear_caches(_TrivialDecorator self)"""
9817 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9819 def set_name(self, a0):
9820 r"""set_name(_TrivialDecorator self, std::string a0)"""
9821 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9824 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9825 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9827 def add_to_derivative(self, a0, a1, a2):
9828 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9829 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9832 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9833 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9835 def get_is_optimized(self, a0):
9836 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9837 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9839 def get_check_level(self):
9840 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9841 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9843 def __eq__(self, *args):
9845 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9846 __eq__(_TrivialDecorator self, Particle d) -> bool
9848 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9850 def __ne__(self, *args):
9852 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9853 __ne__(_TrivialDecorator self, Particle d) -> bool
9855 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9857 def __le__(self, *args):
9859 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9860 __le__(_TrivialDecorator self, Particle d) -> bool
9862 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9864 def __lt__(self, *args):
9866 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9867 __lt__(_TrivialDecorator self, Particle d) -> bool
9869 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9871 def __ge__(self, *args):
9873 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9874 __ge__(_TrivialDecorator self, Particle d) -> bool
9876 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9878 def __gt__(self, *args):
9880 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9881 __gt__(_TrivialDecorator self, Particle d) -> bool
9883 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9886 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9887 return _IMP_kernel._TrivialDecorator___hash__(self)
9890 r"""__str__(_TrivialDecorator self) -> std::string"""
9891 return _IMP_kernel._TrivialDecorator___str__(self)
9894 r"""__repr__(_TrivialDecorator self) -> std::string"""
9895 return _IMP_kernel._TrivialDecorator___repr__(self)
9897 def _get_as_binary(self):
9898 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9899 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9901 def _set_from_binary(self, p):
9902 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9903 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9905 def __getstate__(self):
9906 p = self._get_as_binary()
9907 if len(self.__dict__) > 1:
9908 d = self.__dict__.copy()
9913 def __setstate__(self, p):
9914 if not hasattr(self,
'this'):
9916 if isinstance(p, tuple):
9918 self.__dict__.update(d)
9919 return self._set_from_binary(p)
9921 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9924 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9925 class _TrivialDerivedDecorator(_TrivialDecorator):
9926 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9930 def __init__(self, *args):
9932 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9933 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9934 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9936 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9938 def show(self, *args):
9939 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9940 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9943 def setup_particle(*args):
9945 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9946 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9948 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9951 def get_is_setup(*args):
9953 get_is_setup(_ParticleAdaptor p) -> bool
9954 get_is_setup(Model m, ParticleIndex pi) -> bool
9956 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9960 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9961 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9962 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9963 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9964 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9965 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9966 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9967 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9968 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9969 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9970 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9971 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9973 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9975 def get_value(self, *args):
9977 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9978 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9979 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9980 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9981 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9982 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9983 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9984 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9985 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9986 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9987 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9989 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9991 def set_value(self, *args):
9993 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9994 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9995 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9996 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9997 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9998 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9999 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
10000 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
10001 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
10002 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
10003 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10005 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
10009 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
10010 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
10011 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
10012 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
10013 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
10014 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
10015 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
10016 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
10017 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
10018 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
10019 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
10021 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
10023 def has_attribute(self, *args):
10025 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
10026 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
10027 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
10028 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
10029 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
10030 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
10031 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
10032 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
10033 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
10034 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
10035 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
10037 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
10039 def get_derivative(self, a0):
10040 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
10041 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
10043 def get_name(self):
10044 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
10045 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
10048 r"""clear_caches(_TrivialDerivedDecorator self)"""
10049 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
10051 def set_name(self, a0):
10052 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
10053 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
10056 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
10057 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
10059 def add_to_derivative(self, a0, a1, a2):
10060 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10061 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
10064 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
10065 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
10067 def get_is_optimized(self, a0):
10068 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
10069 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
10071 def get_check_level(self):
10072 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
10073 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
10075 def __eq__(self, *args):
10077 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10078 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
10080 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
10082 def __ne__(self, *args):
10084 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10085 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
10087 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
10089 def __le__(self, *args):
10091 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10092 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
10094 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
10096 def __lt__(self, *args):
10098 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10099 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
10101 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
10103 def __ge__(self, *args):
10105 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10106 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
10108 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
10110 def __gt__(self, *args):
10112 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10113 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
10115 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
10117 def __hash__(self):
10118 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
10119 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
10122 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
10123 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
10125 def __repr__(self):
10126 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
10127 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
10129 def _get_as_binary(self):
10130 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10131 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10133 def _set_from_binary(self, p):
10134 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10135 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10137 def __getstate__(self):
10138 p = self._get_as_binary()
10139 if len(self.__dict__) > 1:
10140 d = self.__dict__.copy()
10145 def __setstate__(self, p):
10146 if not hasattr(self,
'this'):
10148 if isinstance(p, tuple):
10150 self.__dict__.update(d)
10151 return self._set_from_binary(p)
10153 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10156 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10157 class _TrivialTraitsDecorator(
Decorator):
10158 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10160 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10162 def get_decorator_traits(self):
10163 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10164 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10167 def get_default_decorator_traits():
10168 r"""get_default_decorator_traits() -> StringKey"""
10169 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10171 def __init__(self, *args):
10173 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10174 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10175 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10177 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10179 def show(self, *args):
10180 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10181 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10184 def setup_particle(*args):
10186 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10187 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10189 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10192 def get_is_setup(*args):
10194 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10195 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10197 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10200 def get_default_key():
10201 r"""get_default_key() -> StringKey"""
10202 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10206 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10207 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10208 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10209 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10210 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10211 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10212 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10213 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10214 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10215 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10216 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10217 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10219 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10221 def get_value(self, *args):
10223 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10224 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10225 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10226 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10227 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10228 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10229 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10230 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10231 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10232 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10233 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10235 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10237 def set_value(self, *args):
10239 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10240 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10241 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10242 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10243 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10244 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10245 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10246 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10247 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10248 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10249 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10251 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10255 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10256 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10257 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10258 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10259 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10260 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10261 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10262 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10263 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10264 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10265 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10267 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10269 def has_attribute(self, *args):
10271 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10272 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10273 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10274 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10275 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10276 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10277 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10278 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10279 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10280 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10281 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10283 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10285 def get_derivative(self, a0):
10286 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10287 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10289 def get_name(self):
10290 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10291 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10294 r"""clear_caches(_TrivialTraitsDecorator self)"""
10295 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10297 def set_name(self, a0):
10298 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10299 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10302 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10303 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10305 def add_to_derivative(self, a0, a1, a2):
10306 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10307 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10310 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10311 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10313 def get_is_optimized(self, a0):
10314 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10315 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10317 def get_check_level(self):
10318 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10319 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10321 def __eq__(self, *args):
10323 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10324 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10326 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10328 def __ne__(self, *args):
10330 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10331 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10333 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10335 def __le__(self, *args):
10337 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10338 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10340 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10342 def __lt__(self, *args):
10344 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10345 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10347 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10349 def __ge__(self, *args):
10351 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10352 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10354 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10356 def __gt__(self, *args):
10358 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10359 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10361 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10363 def __hash__(self):
10364 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10365 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10368 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10369 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10371 def __repr__(self):
10372 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10373 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10374 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10377 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10379 def __lshift__(*args):
10381 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10382 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10383 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10385 return _IMP_kernel.__lshift__(*args)
10387 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10389 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10391 def __init__(self, *args):
10393 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10394 __init__(_ConstOptimizer self) -> _ConstOptimizer
10396 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10398 def do_optimize(self, max_steps):
10399 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10400 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10403 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10404 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10405 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10408 r"""__str__(_ConstOptimizer self) -> std::string"""
10409 return _IMP_kernel._ConstOptimizer___str__(self)
10411 def __repr__(self):
10412 r"""__repr__(_ConstOptimizer self) -> std::string"""
10413 return _IMP_kernel._ConstOptimizer___repr__(self)
10417 return _object_cast_to__ConstOptimizer(o)
10420 def _get_as_binary(self):
10421 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10422 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10424 def _set_from_binary(self, p):
10425 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10426 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10428 def __getstate__(self):
10429 p = self._get_as_binary()
10430 if len(self.__dict__) > 1:
10431 d = self.__dict__.copy()
10436 def __setstate__(self, p):
10437 if not hasattr(self,
'this'):
10439 if isinstance(p, tuple):
10441 self.__dict__.update(d)
10442 return self._set_from_binary(p)
10446 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10449 r"""get_particle(Particle p) -> Particle"""
10450 return _IMP_kernel.get_particle(p)
10452 def _decorator_test(p):
10453 r"""_decorator_test(Particle p)"""
10454 return _IMP_kernel._decorator_test(p)
10456 def _overloaded_decorator(*args):
10458 _overloaded_decorator(_TrivialDecorator a) -> int
10459 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10461 return _IMP_kernel._overloaded_decorator(*args)
10463 def _take_particles(*args):
10465 _take_particles(IMP::Particles const & ps) -> unsigned int
10466 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10467 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10469 return _IMP_kernel._take_particles(*args)
10471 def _give_particles(m):
10472 r"""_give_particles(Model m) -> IMP::Particles const &"""
10473 return _IMP_kernel._give_particles(m)
10475 def _pass_particles(ps):
10476 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10477 return _IMP_kernel._pass_particles(ps)
10479 def _pass_particle(ps):
10480 r"""_pass_particle(Particle ps) -> Particle"""
10481 return _IMP_kernel._pass_particle(ps)
10483 def _pass_particle_pair(pp):
10484 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10485 return _IMP_kernel._pass_particle_pair(pp)
10487 def _give_particles_copy(m):
10488 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10489 return _IMP_kernel._give_particles_copy(m)
10491 def _pass_float_keys(input):
10492 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10493 return _IMP_kernel._pass_float_keys(input)
10497 _pass(IMP::Particles const & p) -> IMP::Particles const
10498 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10500 return _IMP_kernel._pass(*args)
10502 def _pass_decorators(p):
10503 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10504 return _IMP_kernel._pass_decorators(p)
10506 def _pass_decorator_traits(p):
10507 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10508 return _IMP_kernel._pass_decorator_traits(p)
10510 def _pass_particle_pairs(p):
10511 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10512 return _IMP_kernel._pass_particle_pairs(p)
10514 def _pass_particle_index_pairs(p):
10515 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10516 return _IMP_kernel._pass_particle_index_pairs(p)
10518 def _pass_model_objects(p):
10519 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10520 return _IMP_kernel._pass_model_objects(p)
10522 def _pass_particles_temps(ps):
10523 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10524 return _IMP_kernel._pass_particles_temps(ps)
10526 def _test_overload(*args):
10528 _test_overload(IMP::Particles const & ps) -> int
10529 _test_overload(IMP::Restraints const & ps) -> int
10531 return _IMP_kernel._test_overload(*args)
10533 def _get_range(m, k):
10534 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10535 return _IMP_kernel._get_range(m, k)
10537 def _create_particles_from_pdb(name, m):
10538 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10539 return _IMP_kernel._create_particles_from_pdb(name, m)
10541 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10544 __repr__ = _swig_repr
10546 def __init__(self):
10547 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10548 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10550 def do_get_inputs(self, arg2, arg3):
10551 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10552 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10554 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10555 r"""evaluate_indexes(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10556 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10558 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10559 r"""evaluate_indexes_scores(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10560 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10562 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10563 r"""evaluate_indexes_delta(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10564 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10566 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10567 r"""evaluate_if_good_indexes(_LogPairScore 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"""
10568 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10571 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10572 return _IMP_kernel._LogPairScore_get_version_info(self)
10573 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10575 def get_particle_pairs(self):
10576 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10577 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10580 r"""clear(_LogPairScore self)"""
10581 return _IMP_kernel._LogPairScore_clear(self)
10583 def get_contains(self, pp):
10584 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10585 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10588 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10590 def _overloaded_particles(*args):
10592 _overloaded_particles(Particle arg1)
10593 _overloaded_particles(IMP::Particles const & arg1)
10594 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10595 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10596 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10597 _overloaded_particles(_TrivialDecorator arg1)
10599 return _IMP_kernel._overloaded_particles(*args)
10600 class _ImplicitParticles(object):
10601 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10604 __repr__ = _swig_repr
10606 def __init__(self, *args):
10608 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10609 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10610 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10611 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10612 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10613 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10615 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10616 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10619 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10621 def _implicit_particles(arg1):
10622 r"""_implicit_particles(_ImplicitParticles arg1)"""
10623 return _IMP_kernel._implicit_particles(arg1)
10625 def _take_particle_adaptor(pa):
10626 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10627 return _IMP_kernel._take_particle_adaptor(pa)
10629 def _take_particle_indexes_adaptor(pa):
10630 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10631 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10632 class Vector1D(_VectorBase1D):
10633 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10637 def get_unit_vector(self):
10638 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10639 return _IMP_kernel.Vector1D_get_unit_vector(self)
10641 def __truediv__(self, *args):
10642 return _IMP_kernel.Vector1D___truediv__(self, *args)
10647 r"""__neg__(Vector1D self) -> Vector1D"""
10648 return _IMP_kernel.Vector1D___neg__(self)
10650 def __sub__(self, o):
10651 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10652 return _IMP_kernel.Vector1D___sub__(self, o)
10654 def __add__(self, ret):
10655 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10656 return _IMP_kernel.Vector1D___add__(self, ret)
10658 def __mul__(self, *args):
10660 __mul__(Vector1D self, double s) -> Vector1D
10661 __mul__(Vector1D self, Vector1D o) -> double
10663 return _IMP_kernel.Vector1D___mul__(self, *args)
10665 def __init__(self, *args):
10667 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10668 __init__(Vector1D self) -> Vector1D
10669 __init__(Vector1D self, double x) -> Vector1D
10671 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10673 def __iadd__(self, *args):
10674 _IMP_kernel.Vector1D___iadd__(self, *args)
10679 def __imul__(self, *args):
10680 _IMP_kernel.Vector1D___imul__(self, *args)
10685 def __itruediv__(self, *args):
10686 _IMP_kernel.Vector1D___itruediv__(self, *args)
10691 def __isub__(self, *args):
10692 _IMP_kernel.Vector1D___isub__(self, *args)
10698 r"""__len__(Vector1D self) -> unsigned int"""
10699 return _IMP_kernel.Vector1D___len__(self)
10701 def __rmul__(self, f):
10702 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10703 return _IMP_kernel.Vector1D___rmul__(self, f)
10706 r"""__str__(Vector1D self) -> std::string"""
10707 return _IMP_kernel.Vector1D___str__(self)
10709 def __repr__(self):
10710 r"""__repr__(Vector1D self) -> std::string"""
10711 return _IMP_kernel.Vector1D___repr__(self)
10713 def __cmp__(self, arg2):
10714 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10715 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10717 def __eq__(self, arg2):
10718 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10719 return _IMP_kernel.Vector1D___eq__(self, arg2)
10721 def _get_as_binary(self):
10722 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10723 return _IMP_kernel.Vector1D__get_as_binary(self)
10725 def _set_from_binary(self, p):
10726 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10727 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10729 def __getstate__(self):
10730 p = self._get_as_binary()
10731 if len(self.__dict__) > 1:
10732 d = self.__dict__.copy()
10737 def __setstate__(self, p):
10738 if not hasattr(self,
'this'):
10740 if isinstance(p, tuple):
10742 self.__dict__.update(d)
10743 return self._set_from_binary(p)
10746 def __getitem__(self, index):
10747 if isinstance(index, slice):
10748 return [self[i]
for i
in range(*index.indices(len(self)))]
10750 return _IMP_kernel.Vector1D___getitem__(self, index)
10754 def __setitem__(self, index, val):
10755 if isinstance(index, slice):
10756 if not hasattr(val,
'__iter__'):
10757 raise TypeError(
"must assign iterable to extended slice")
10758 inds = range(*index.indices(len(self)))
10759 if len(inds) != len(val):
10761 "attempt to assign sequence of size %d "
10762 "to extended slice of size %d" % (len(val), len(inds)))
10763 for ind, v
in zip(inds, val):
10766 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10769 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10772 _IMP_kernel.Vector1D_swigregister(Vector1D)
10773 class Vector2D(_VectorBase2D):
10774 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10778 def get_unit_vector(self):
10779 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10780 return _IMP_kernel.Vector2D_get_unit_vector(self)
10782 def __truediv__(self, *args):
10783 return _IMP_kernel.Vector2D___truediv__(self, *args)
10788 r"""__neg__(Vector2D self) -> Vector2D"""
10789 return _IMP_kernel.Vector2D___neg__(self)
10791 def __sub__(self, o):
10792 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10793 return _IMP_kernel.Vector2D___sub__(self, o)
10795 def __add__(self, ret):
10796 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10797 return _IMP_kernel.Vector2D___add__(self, ret)
10799 def __mul__(self, *args):
10801 __mul__(Vector2D self, double s) -> Vector2D
10802 __mul__(Vector2D self, Vector2D o) -> double
10804 return _IMP_kernel.Vector2D___mul__(self, *args)
10806 def __init__(self, *args):
10808 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10809 __init__(Vector2D self) -> Vector2D
10810 __init__(Vector2D self, double x, double y) -> Vector2D
10812 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10814 def __iadd__(self, *args):
10815 _IMP_kernel.Vector2D___iadd__(self, *args)
10820 def __imul__(self, *args):
10821 _IMP_kernel.Vector2D___imul__(self, *args)
10826 def __itruediv__(self, *args):
10827 _IMP_kernel.Vector2D___itruediv__(self, *args)
10832 def __isub__(self, *args):
10833 _IMP_kernel.Vector2D___isub__(self, *args)
10839 r"""__len__(Vector2D self) -> unsigned int"""
10840 return _IMP_kernel.Vector2D___len__(self)
10842 def __rmul__(self, f):
10843 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10844 return _IMP_kernel.Vector2D___rmul__(self, f)
10847 r"""__str__(Vector2D self) -> std::string"""
10848 return _IMP_kernel.Vector2D___str__(self)
10850 def __repr__(self):
10851 r"""__repr__(Vector2D self) -> std::string"""
10852 return _IMP_kernel.Vector2D___repr__(self)
10854 def __cmp__(self, arg2):
10855 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10856 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10858 def __eq__(self, arg2):
10859 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10860 return _IMP_kernel.Vector2D___eq__(self, arg2)
10862 def _get_as_binary(self):
10863 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10864 return _IMP_kernel.Vector2D__get_as_binary(self)
10866 def _set_from_binary(self, p):
10867 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10868 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10870 def __getstate__(self):
10871 p = self._get_as_binary()
10872 if len(self.__dict__) > 1:
10873 d = self.__dict__.copy()
10878 def __setstate__(self, p):
10879 if not hasattr(self,
'this'):
10881 if isinstance(p, tuple):
10883 self.__dict__.update(d)
10884 return self._set_from_binary(p)
10887 def __getitem__(self, index):
10888 if isinstance(index, slice):
10889 return [self[i]
for i
in range(*index.indices(len(self)))]
10891 return _IMP_kernel.Vector2D___getitem__(self, index)
10895 def __setitem__(self, index, val):
10896 if isinstance(index, slice):
10897 if not hasattr(val,
'__iter__'):
10898 raise TypeError(
"must assign iterable to extended slice")
10899 inds = range(*index.indices(len(self)))
10900 if len(inds) != len(val):
10902 "attempt to assign sequence of size %d "
10903 "to extended slice of size %d" % (len(val), len(inds)))
10904 for ind, v
in zip(inds, val):
10907 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10910 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10913 _IMP_kernel.Vector2D_swigregister(Vector2D)
10914 class Vector3D(_VectorBase3D):
10915 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10917 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10919 def get_unit_vector(self):
10920 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10921 return _IMP_kernel.Vector3D_get_unit_vector(self)
10923 def __truediv__(self, *args):
10924 return _IMP_kernel.Vector3D___truediv__(self, *args)
10929 r"""__neg__(Vector3D self) -> Vector3D"""
10930 return _IMP_kernel.Vector3D___neg__(self)
10932 def __sub__(self, o):
10933 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10934 return _IMP_kernel.Vector3D___sub__(self, o)
10936 def __add__(self, ret):
10937 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10938 return _IMP_kernel.Vector3D___add__(self, ret)
10940 def __mul__(self, *args):
10942 __mul__(Vector3D self, double s) -> Vector3D
10943 __mul__(Vector3D self, Vector3D o) -> double
10945 return _IMP_kernel.Vector3D___mul__(self, *args)
10947 def __init__(self, *args):
10949 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10950 __init__(Vector3D self) -> Vector3D
10951 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10953 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10955 def __iadd__(self, *args):
10956 _IMP_kernel.Vector3D___iadd__(self, *args)
10961 def __imul__(self, *args):
10962 _IMP_kernel.Vector3D___imul__(self, *args)
10967 def __itruediv__(self, *args):
10968 _IMP_kernel.Vector3D___itruediv__(self, *args)
10973 def __isub__(self, *args):
10974 _IMP_kernel.Vector3D___isub__(self, *args)
10980 r"""__len__(Vector3D self) -> unsigned int"""
10981 return _IMP_kernel.Vector3D___len__(self)
10983 def __rmul__(self, f):
10984 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10985 return _IMP_kernel.Vector3D___rmul__(self, f)
10988 r"""__str__(Vector3D self) -> std::string"""
10989 return _IMP_kernel.Vector3D___str__(self)
10991 def __repr__(self):
10992 r"""__repr__(Vector3D self) -> std::string"""
10993 return _IMP_kernel.Vector3D___repr__(self)
10995 def __cmp__(self, arg2):
10996 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10997 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10999 def __eq__(self, arg2):
11000 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
11001 return _IMP_kernel.Vector3D___eq__(self, arg2)
11003 def _get_as_binary(self):
11004 r"""_get_as_binary(Vector3D self) -> PyObject *"""
11005 return _IMP_kernel.Vector3D__get_as_binary(self)
11007 def _set_from_binary(self, p):
11008 r"""_set_from_binary(Vector3D self, PyObject * p)"""
11009 return _IMP_kernel.Vector3D__set_from_binary(self, p)
11011 def __getstate__(self):
11012 p = self._get_as_binary()
11013 if len(self.__dict__) > 1:
11014 d = self.__dict__.copy()
11019 def __setstate__(self, p):
11020 if not hasattr(self,
'this'):
11022 if isinstance(p, tuple):
11024 self.__dict__.update(d)
11025 return self._set_from_binary(p)
11028 def __getitem__(self, index):
11029 if isinstance(index, slice):
11030 return [self[i]
for i
in range(*index.indices(len(self)))]
11032 return _IMP_kernel.Vector3D___getitem__(self, index)
11036 def __setitem__(self, index, val):
11037 if isinstance(index, slice):
11038 if not hasattr(val,
'__iter__'):
11039 raise TypeError(
"must assign iterable to extended slice")
11040 inds = range(*index.indices(len(self)))
11041 if len(inds) != len(val):
11043 "attempt to assign sequence of size %d "
11044 "to extended slice of size %d" % (len(val), len(inds)))
11045 for ind, v
in zip(inds, val):
11048 return _IMP_kernel.Vector3D___setitem__(self, index, val)
11051 __swig_destroy__ = _IMP_kernel.delete_Vector3D
11054 _IMP_kernel.Vector3D_swigregister(Vector3D)
11055 class Vector4D(_VectorBase4D):
11056 r"""Proxy of C++ IMP::VectorD< 4 > class."""
11058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11060 def get_unit_vector(self):
11061 r"""get_unit_vector(Vector4D self) -> Vector4D"""
11062 return _IMP_kernel.Vector4D_get_unit_vector(self)
11064 def __truediv__(self, *args):
11065 return _IMP_kernel.Vector4D___truediv__(self, *args)
11070 r"""__neg__(Vector4D self) -> Vector4D"""
11071 return _IMP_kernel.Vector4D___neg__(self)
11073 def __sub__(self, o):
11074 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
11075 return _IMP_kernel.Vector4D___sub__(self, o)
11077 def __add__(self, ret):
11078 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
11079 return _IMP_kernel.Vector4D___add__(self, ret)
11081 def __mul__(self, *args):
11083 __mul__(Vector4D self, double s) -> Vector4D
11084 __mul__(Vector4D self, Vector4D o) -> double
11086 return _IMP_kernel.Vector4D___mul__(self, *args)
11088 def __init__(self, *args):
11090 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
11091 __init__(Vector4D self) -> Vector4D
11092 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
11094 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
11096 def __iadd__(self, *args):
11097 _IMP_kernel.Vector4D___iadd__(self, *args)
11102 def __imul__(self, *args):
11103 _IMP_kernel.Vector4D___imul__(self, *args)
11108 def __itruediv__(self, *args):
11109 _IMP_kernel.Vector4D___itruediv__(self, *args)
11114 def __isub__(self, *args):
11115 _IMP_kernel.Vector4D___isub__(self, *args)
11121 r"""__len__(Vector4D self) -> unsigned int"""
11122 return _IMP_kernel.Vector4D___len__(self)
11124 def __rmul__(self, f):
11125 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
11126 return _IMP_kernel.Vector4D___rmul__(self, f)
11129 r"""__str__(Vector4D self) -> std::string"""
11130 return _IMP_kernel.Vector4D___str__(self)
11132 def __repr__(self):
11133 r"""__repr__(Vector4D self) -> std::string"""
11134 return _IMP_kernel.Vector4D___repr__(self)
11136 def __cmp__(self, arg2):
11137 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11138 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11140 def __eq__(self, arg2):
11141 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11142 return _IMP_kernel.Vector4D___eq__(self, arg2)
11144 def _get_as_binary(self):
11145 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11146 return _IMP_kernel.Vector4D__get_as_binary(self)
11148 def _set_from_binary(self, p):
11149 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11150 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11152 def __getstate__(self):
11153 p = self._get_as_binary()
11154 if len(self.__dict__) > 1:
11155 d = self.__dict__.copy()
11160 def __setstate__(self, p):
11161 if not hasattr(self,
'this'):
11163 if isinstance(p, tuple):
11165 self.__dict__.update(d)
11166 return self._set_from_binary(p)
11169 def __getitem__(self, index):
11170 if isinstance(index, slice):
11171 return [self[i]
for i
in range(*index.indices(len(self)))]
11173 return _IMP_kernel.Vector4D___getitem__(self, index)
11177 def __setitem__(self, index, val):
11178 if isinstance(index, slice):
11179 if not hasattr(val,
'__iter__'):
11180 raise TypeError(
"must assign iterable to extended slice")
11181 inds = range(*index.indices(len(self)))
11182 if len(inds) != len(val):
11184 "attempt to assign sequence of size %d "
11185 "to extended slice of size %d" % (len(val), len(inds)))
11186 for ind, v
in zip(inds, val):
11189 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11192 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11195 _IMP_kernel.Vector4D_swigregister(Vector4D)
11196 class Vector5D(_VectorBase5D):
11197 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11201 def get_unit_vector(self):
11202 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11203 return _IMP_kernel.Vector5D_get_unit_vector(self)
11205 def __truediv__(self, *args):
11206 return _IMP_kernel.Vector5D___truediv__(self, *args)
11211 r"""__neg__(Vector5D self) -> Vector5D"""
11212 return _IMP_kernel.Vector5D___neg__(self)
11214 def __sub__(self, o):
11215 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11216 return _IMP_kernel.Vector5D___sub__(self, o)
11218 def __add__(self, ret):
11219 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11220 return _IMP_kernel.Vector5D___add__(self, ret)
11222 def __mul__(self, *args):
11224 __mul__(Vector5D self, double s) -> Vector5D
11225 __mul__(Vector5D self, Vector5D o) -> double
11227 return _IMP_kernel.Vector5D___mul__(self, *args)
11229 def __init__(self, *args):
11231 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11232 __init__(Vector5D self) -> Vector5D
11233 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11235 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11237 def __iadd__(self, *args):
11238 _IMP_kernel.Vector5D___iadd__(self, *args)
11243 def __imul__(self, *args):
11244 _IMP_kernel.Vector5D___imul__(self, *args)
11249 def __itruediv__(self, *args):
11250 _IMP_kernel.Vector5D___itruediv__(self, *args)
11255 def __isub__(self, *args):
11256 _IMP_kernel.Vector5D___isub__(self, *args)
11262 r"""__len__(Vector5D self) -> unsigned int"""
11263 return _IMP_kernel.Vector5D___len__(self)
11265 def __rmul__(self, f):
11266 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11267 return _IMP_kernel.Vector5D___rmul__(self, f)
11270 r"""__str__(Vector5D self) -> std::string"""
11271 return _IMP_kernel.Vector5D___str__(self)
11273 def __repr__(self):
11274 r"""__repr__(Vector5D self) -> std::string"""
11275 return _IMP_kernel.Vector5D___repr__(self)
11277 def __cmp__(self, arg2):
11278 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11279 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11281 def __eq__(self, arg2):
11282 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11283 return _IMP_kernel.Vector5D___eq__(self, arg2)
11285 def _get_as_binary(self):
11286 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11287 return _IMP_kernel.Vector5D__get_as_binary(self)
11289 def _set_from_binary(self, p):
11290 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11291 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11293 def __getstate__(self):
11294 p = self._get_as_binary()
11295 if len(self.__dict__) > 1:
11296 d = self.__dict__.copy()
11301 def __setstate__(self, p):
11302 if not hasattr(self,
'this'):
11304 if isinstance(p, tuple):
11306 self.__dict__.update(d)
11307 return self._set_from_binary(p)
11310 def __getitem__(self, index):
11311 if isinstance(index, slice):
11312 return [self[i]
for i
in range(*index.indices(len(self)))]
11314 return _IMP_kernel.Vector5D___getitem__(self, index)
11318 def __setitem__(self, index, val):
11319 if isinstance(index, slice):
11320 if not hasattr(val,
'__iter__'):
11321 raise TypeError(
"must assign iterable to extended slice")
11322 inds = range(*index.indices(len(self)))
11323 if len(inds) != len(val):
11325 "attempt to assign sequence of size %d "
11326 "to extended slice of size %d" % (len(val), len(inds)))
11327 for ind, v
in zip(inds, val):
11330 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11333 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11336 _IMP_kernel.Vector5D_swigregister(Vector5D)
11337 class Vector6D(_VectorBase6D):
11338 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11342 def get_unit_vector(self):
11343 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11344 return _IMP_kernel.Vector6D_get_unit_vector(self)
11346 def __truediv__(self, *args):
11347 return _IMP_kernel.Vector6D___truediv__(self, *args)
11352 r"""__neg__(Vector6D self) -> Vector6D"""
11353 return _IMP_kernel.Vector6D___neg__(self)
11355 def __sub__(self, o):
11356 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11357 return _IMP_kernel.Vector6D___sub__(self, o)
11359 def __add__(self, ret):
11360 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11361 return _IMP_kernel.Vector6D___add__(self, ret)
11363 def __mul__(self, *args):
11365 __mul__(Vector6D self, double s) -> Vector6D
11366 __mul__(Vector6D self, Vector6D o) -> double
11368 return _IMP_kernel.Vector6D___mul__(self, *args)
11370 def __init__(self, *args):
11372 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11373 __init__(Vector6D self) -> Vector6D
11374 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11376 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11378 def __iadd__(self, *args):
11379 _IMP_kernel.Vector6D___iadd__(self, *args)
11384 def __imul__(self, *args):
11385 _IMP_kernel.Vector6D___imul__(self, *args)
11390 def __itruediv__(self, *args):
11391 _IMP_kernel.Vector6D___itruediv__(self, *args)
11396 def __isub__(self, *args):
11397 _IMP_kernel.Vector6D___isub__(self, *args)
11403 r"""__len__(Vector6D self) -> unsigned int"""
11404 return _IMP_kernel.Vector6D___len__(self)
11406 def __rmul__(self, f):
11407 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11408 return _IMP_kernel.Vector6D___rmul__(self, f)
11411 r"""__str__(Vector6D self) -> std::string"""
11412 return _IMP_kernel.Vector6D___str__(self)
11414 def __repr__(self):
11415 r"""__repr__(Vector6D self) -> std::string"""
11416 return _IMP_kernel.Vector6D___repr__(self)
11418 def __cmp__(self, arg2):
11419 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11420 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11422 def __eq__(self, arg2):
11423 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11424 return _IMP_kernel.Vector6D___eq__(self, arg2)
11426 def _get_as_binary(self):
11427 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11428 return _IMP_kernel.Vector6D__get_as_binary(self)
11430 def _set_from_binary(self, p):
11431 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11432 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11434 def __getstate__(self):
11435 p = self._get_as_binary()
11436 if len(self.__dict__) > 1:
11437 d = self.__dict__.copy()
11442 def __setstate__(self, p):
11443 if not hasattr(self,
'this'):
11445 if isinstance(p, tuple):
11447 self.__dict__.update(d)
11448 return self._set_from_binary(p)
11451 def __getitem__(self, index):
11452 if isinstance(index, slice):
11453 return [self[i]
for i
in range(*index.indices(len(self)))]
11455 return _IMP_kernel.Vector6D___getitem__(self, index)
11459 def __setitem__(self, index, val):
11460 if isinstance(index, slice):
11461 if not hasattr(val,
'__iter__'):
11462 raise TypeError(
"must assign iterable to extended slice")
11463 inds = range(*index.indices(len(self)))
11464 if len(inds) != len(val):
11466 "attempt to assign sequence of size %d "
11467 "to extended slice of size %d" % (len(val), len(inds)))
11468 for ind, v
in zip(inds, val):
11471 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11474 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11477 _IMP_kernel.Vector6D_swigregister(Vector6D)
11478 class VectorKD(_VectorBaseKD):
11479 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11481 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11483 def get_unit_vector(self):
11484 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11485 return _IMP_kernel.VectorKD_get_unit_vector(self)
11487 def __truediv__(self, *args):
11488 return _IMP_kernel.VectorKD___truediv__(self, *args)
11493 r"""__neg__(VectorKD self) -> VectorKD"""
11494 return _IMP_kernel.VectorKD___neg__(self)
11496 def __sub__(self, o):
11497 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11498 return _IMP_kernel.VectorKD___sub__(self, o)
11500 def __add__(self, ret):
11501 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11502 return _IMP_kernel.VectorKD___add__(self, ret)
11504 def __mul__(self, *args):
11506 __mul__(VectorKD self, double s) -> VectorKD
11507 __mul__(VectorKD self, VectorKD o) -> double
11509 return _IMP_kernel.VectorKD___mul__(self, *args)
11511 def __init__(self, *args):
11513 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11514 __init__(VectorKD self) -> VectorKD
11515 __init__(VectorKD self, double x0, double x1=std::numeric_limits< double >::max(), double x2=std::numeric_limits< double >::max(), double x3=std::numeric_limits< double >::max(), double x4=std::numeric_limits< double >::max(), double x5=std::numeric_limits< double >::max()) -> VectorKD
11517 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11519 def __iadd__(self, *args):
11520 _IMP_kernel.VectorKD___iadd__(self, *args)
11525 def __imul__(self, *args):
11526 _IMP_kernel.VectorKD___imul__(self, *args)
11531 def __itruediv__(self, *args):
11532 _IMP_kernel.VectorKD___itruediv__(self, *args)
11537 def __isub__(self, *args):
11538 _IMP_kernel.VectorKD___isub__(self, *args)
11544 r"""__len__(VectorKD self) -> unsigned int"""
11545 return _IMP_kernel.VectorKD___len__(self)
11547 def __rmul__(self, f):
11548 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11549 return _IMP_kernel.VectorKD___rmul__(self, f)
11552 r"""__str__(VectorKD self) -> std::string"""
11553 return _IMP_kernel.VectorKD___str__(self)
11555 def __repr__(self):
11556 r"""__repr__(VectorKD self) -> std::string"""
11557 return _IMP_kernel.VectorKD___repr__(self)
11559 def __cmp__(self, arg2):
11560 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11561 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11563 def __eq__(self, arg2):
11564 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11565 return _IMP_kernel.VectorKD___eq__(self, arg2)
11567 def _get_as_binary(self):
11568 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11569 return _IMP_kernel.VectorKD__get_as_binary(self)
11571 def _set_from_binary(self, p):
11572 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11573 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11575 def __getstate__(self):
11576 p = self._get_as_binary()
11577 if len(self.__dict__) > 1:
11578 d = self.__dict__.copy()
11583 def __setstate__(self, p):
11584 if not hasattr(self,
'this'):
11586 if isinstance(p, tuple):
11588 self.__dict__.update(d)
11589 return self._set_from_binary(p)
11592 def __getitem__(self, index):
11593 if isinstance(index, slice):
11594 return [self[i]
for i
in range(*index.indices(len(self)))]
11596 return _IMP_kernel.VectorKD___getitem__(self, index)
11600 def __setitem__(self, index, val):
11601 if isinstance(index, slice):
11602 if not hasattr(val,
'__iter__'):
11603 raise TypeError(
"must assign iterable to extended slice")
11604 inds = range(*index.indices(len(self)))
11605 if len(inds) != len(val):
11607 "attempt to assign sequence of size %d "
11608 "to extended slice of size %d" % (len(val), len(inds)))
11609 for ind, v
in zip(inds, val):
11612 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11615 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11618 _IMP_kernel.VectorKD_swigregister(VectorKD)
11620 def get_basis_vector_1d(coordinate):
11621 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11622 return _IMP_kernel.get_basis_vector_1d(coordinate)
11624 def get_basis_vector_2d(coordinate):
11625 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11626 return _IMP_kernel.get_basis_vector_2d(coordinate)
11628 def get_basis_vector_3d(coordinate):
11629 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11630 return _IMP_kernel.get_basis_vector_3d(coordinate)
11632 def get_basis_vector_4d(coordinate):
11633 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11634 return _IMP_kernel.get_basis_vector_4d(coordinate)
11636 def get_basis_vector_5d(coordinate):
11637 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11638 return _IMP_kernel.get_basis_vector_5d(coordinate)
11640 def get_basis_vector_6d(coordinate):
11641 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11642 return _IMP_kernel.get_basis_vector_6d(coordinate)
11644 def get_zero_vector_1d():
11645 r"""get_zero_vector_1d() -> Vector1D"""
11646 return _IMP_kernel.get_zero_vector_1d()
11648 def get_zero_vector_2d():
11649 r"""get_zero_vector_2d() -> Vector2D"""
11650 return _IMP_kernel.get_zero_vector_2d()
11652 def get_zero_vector_3d():
11653 r"""get_zero_vector_3d() -> Vector3D"""
11654 return _IMP_kernel.get_zero_vector_3d()
11656 def get_zero_vector_4d():
11657 r"""get_zero_vector_4d() -> Vector4D"""
11658 return _IMP_kernel.get_zero_vector_4d()
11660 def get_zero_vector_5d():
11661 r"""get_zero_vector_5d() -> Vector5D"""
11662 return _IMP_kernel.get_zero_vector_5d()
11664 def get_zero_vector_6d():
11665 r"""get_zero_vector_6d() -> Vector6D"""
11666 return _IMP_kernel.get_zero_vector_6d()
11668 def get_ones_vector_1d(v=1):
11669 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11670 return _IMP_kernel.get_ones_vector_1d(v)
11672 def get_ones_vector_2d(v=1):
11673 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11674 return _IMP_kernel.get_ones_vector_2d(v)
11676 def get_ones_vector_3d(v=1):
11677 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11678 return _IMP_kernel.get_ones_vector_3d(v)
11680 def get_ones_vector_4d(v=1):
11681 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11682 return _IMP_kernel.get_ones_vector_4d(v)
11684 def get_ones_vector_5d(v=1):
11685 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11686 return _IMP_kernel.get_ones_vector_5d(v)
11688 def get_ones_vector_6d(v=1):
11689 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11690 return _IMP_kernel.get_ones_vector_6d(v)
11692 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11694 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11695 __repr__ = _swig_repr
11697 def __init__(self, *args):
11699 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11700 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11702 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11704 def do_add_score_and_derivatives(self, sa, ss):
11705 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11706 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11708 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11709 r"""do_add_score_and_derivatives_moved(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
11710 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11712 def do_get_inputs(self):
11713 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11714 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11716 def get_restraints(self):
11717 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11718 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11720 def set_restraints(self, s):
11721 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11722 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11724 def get_number_of_restraints(self):
11725 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11726 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11728 def clear_restraints(self):
11729 r"""clear_restraints(_RestraintsScoringFunction self)"""
11730 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11732 def get_restraint(self, i):
11733 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11734 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11736 def erase_restraint(self, i):
11737 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11738 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11741 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11742 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11745 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11746 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11748 def _python_index_restraint(self, r, start, stop):
11749 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11750 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11753 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11754 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11755 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11759 return _object_cast_to__RestraintsScoringFunction(o)
11762 def __get_restraints(self):
11763 return _list_util.VarList(
11764 getdimfunc=self.get_number_of_restraints,
11765 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11766 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11767 clearfunc=self.clear_restraints,
11768 indexfunc=self._python_index_restraint)
11770 def __set_restraints(self, obj):
11771 _list_util.set_varlist(self.restraints, obj)
11773 def __del_restraints(self):
11774 _list_util.del_varlist(self.restraints)
11776 restraints = property(__get_restraints, __set_restraints,
11777 __del_restraints, doc=
"List of Restraints")
11780 def _get_jax(self, space=None):
11783 jis = [r.get_derived_object()._get_jax(space)
for r
in self.restraints]
11784 funcs = [j.score_func
for j
in jis]
11785 keys = frozenset(x
for j
in jis
for x
in j._keys)
11787 return sum(f(jm)
for f
in funcs)
11788 return IMP._jax_util.JAXRestraintInfo(
11789 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11793 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11795 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11797 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11799 def __init__(self, *args):
11801 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11802 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11804 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11806 def set(self, p, key, value):
11807 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11808 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11811 r"""reset(ScopedSetFloatAttribute self)"""
11812 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11813 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11815 def show(self, *args):
11816 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11817 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11820 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11821 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11823 def __repr__(self):
11824 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11825 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11828 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11830 def _get_module_data_path(module, file_name):
11831 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11832 return _IMP_kernel._get_module_data_path(module, file_name)
11834 def _get_module_example_path(module, file_name):
11835 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11836 return _IMP_kernel._get_module_example_path(module, file_name)
11845 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11846 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11847 pathcomps = os.environ[
'PATH'].split(
";")
11849 if d
not in pathcomps:
11850 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11858 """Allow command line tools to easily implement multiple commands.
11859 Typically, an IMP command line tool will use an instance of this class
11860 to provide a consistent interface to multiple distinct commands
11861 from a single binary, rather than providing a potentially large
11862 number of binaries. This is similar to the way a number of common
11863 command line tools outside of IMP function (e.g. Git provides a single
11864 `git` tool which implements multiple commands - `git add`, `git commit`,
11865 `git push` and so on).
11867 Each command is implemented with a Python module of the same name
11868 that can be imported from the module (for example, if `module_name`
11869 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11870 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11871 Each such module should have a docstring and a `%main()` method
11872 that takes no arguments (the module should also call its `%main()` method
11873 if it is run directly, i.e. with something like
11874 `if __name__=="__main__": %main()`). The encompassing module
11875 (`IMP.foo` in the example) should define `_all_commands` as a Python
11876 list of all valid commands.
11878 See the `multifit` and `cnmultifit` command line tools for example
11884 @param short_help A few words that describe the command line tool.
11885 @param long_help Longer text, used in the `help` command.
11886 @param module_name Name of the module (e.g. `IMP.foo`) that
11887 implements the commands.
11889 self.short_help = short_help
11890 self.long_help = long_help
11891 self.module_name = module_name
11892 self._all_commands = self.import_module()._all_commands
11893 self._progname = os.path.basename(sys.argv[0])
11896 """Call this method to act upon the user-provided command line"""
11897 if len(sys.argv) <= 1:
11898 print(self.short_help +
" Use '%s help' for help." % self._progname)
11900 command = sys.argv[1]
11901 if command
in (
'help',
'--help',
'-h'):
11902 if len(sys.argv) == 3:
11903 self.show_command_help(sys.argv[2])
11906 elif command ==
'--version':
11907 self.show_version()
11908 elif command
in self._all_commands:
11909 self.do_command(command)
11911 self.unknown_command(command)
11913 def import_module(self, mod=None):
11914 modname = self.module_name
11915 if mod
is not None:
11916 modname +=
"." + mod
11917 return __import__(modname, {}, {}, [
''])
11919 def unknown_command(self, command):
11920 print(
"Unknown command: '%s'" % command)
11921 print(
"Use '%s help' for help." % self._progname)
11924 def _get_version(self):
11927 def show_version(self):
11928 print(self._progname +
' ' + self._get_version())
11930 def show_help(self):
11931 ver = self._get_version()
11932 print(
"%s, version %s." % (self._progname, ver))
11933 print(self.long_help +
"""
11935 This program is part of IMP, the Integrative Modeling Platform,
11937 For additional information about IMP, see <https://integrativemodeling.org>.
11939 Usage: %s <command> [options] [args]
11942 commands = self._all_commands[:] + [
'help']
11944 cmdlen = max([len(c)
for c
in commands])
11947 doc =
'Get help on using %s.' % self._progname
11949 doc = self.import_module(c).__doc__
or "<no help>"
11950 c +=
' ' * (cmdlen - len(c))
11951 print(
' ' + c +
' ' + doc)
11953 Use "%s help <command>" for detailed help on any command
11954 or "%s --version" to see the version number.""" % (self._progname,
11957 def do_command(self, command):
11958 mod = self.import_module(command)
11959 sys.argv[0] = self._progname +
' ' + command
11963 def show_command_help(self, command):
11964 if command ==
'help':
11966 elif command
in self._all_commands
or command ==
'help':
11967 mod = self.import_module(command)
11968 sys.argv = [self._progname +
' ' + command,
'--help']
11971 self.unknown_command(command)
11978 g = networkx.DiGraph()
11979 if len(ig.get_vertices()) == 0:
11988 return self.p.get_name()
11990 def __call__(self, name):
11991 return self.p.__call__(name)
11993 for vi
in ig.get_vertices():
11994 n = ig.get_vertex_name(vi)
11995 g.add_node(NodeWrapper(n))
11996 for vi
in ig.get_vertices():
11997 n = ig.get_vertex_name(vi)
11998 for ni
in ig.get_out_neighbors(vi):
11999 nn = ig.get_vertex_name(ni)
12000 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
12007 n0 = name.get_name()
12010 n1 = str(n0).replace(
'"',
'')
12011 n2 = n1.replace(
"\n",
'')
12014 from altgraph
import Graph, Dot
12015 graph = Graph.Graph()
12016 for i, v
in enumerate(g.get_vertices()):
12018 for i, v
in enumerate(g.get_vertices()):
12019 for n
in g.get_out_neighbors(v):
12020 graph.add_edge(v, n)
12021 dot = Dot.Dot(graph)
12022 for i, v
in enumerate(g.get_vertices()):
12023 dot.node_style(i, label=clean(g.get_vertex_name(v)))
12031 st = g.get_graphviz_string()
12032 with open(tfn,
"w")
as fh:
12035 print(
"running dot")
12036 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
12040 sys.stderr.write(
"The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.\n")
12043 if platform.system() ==
"Darwin":
12046 cmd = [
"gv",
"acroread",
"xpdf"]
12049 print(
"launching viewer " + c)
12051 subprocess.check_call([c, tfon])
12057 print(
"Could not display file. It is saved at " + tfon)
12067 """Mark a Python module as deprecated.
12068 @note The `module` argument would normally be `__name__`.
12069 @see [deprecation support](@ref deprecation)."""
12071 "Module %s is deprecated. %s\n" % (module, help_message))
12074 """Python decorator to mark a class as deprecated.
12075 @see [deprecation support](@ref deprecation)."""
12077 orig_init = obj.__init__
12080 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
12081 def __init__(obj, *args, **keys):
12083 % (type(obj), help_message))
12084 orig_init(obj, *args, **keys)
12085 obj.__init__ = __init__
12090 """Python decorator to mark a method as deprecated.
12091 @see [deprecation support](@ref deprecation)."""
12092 def out_wrapper(obj):
12093 @functools.wraps(obj)
12094 def wrapper(cls, *args, **keys):
12096 % (obj.__name__, type(cls), help_message))
12097 return obj(cls, *args, **keys)
12102 """Python decorator to mark a function as deprecated.
12103 @see [deprecation support](@ref deprecation)."""
12104 def out_wrapper(obj):
12105 @functools.wraps(obj)
12106 def wrapper(*args, **keys):
12108 % (obj.__name__, help_message))
12109 return obj(*args, **keys)
12113 @contextlib.contextmanager
12115 """Context manager to temporarily allow (or disallow) deprecated code.
12116 @see [deprecation support](@ref deprecation)."""
12123 def _get_all_flags(ntokens):
12124 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
12125 return _IMP_kernel._get_all_flags(ntokens)
12127 def _print_internal_help(out, description):
12128 r"""_print_internal_help(_ostream out, std::string description)"""
12129 return _IMP_kernel._print_internal_help(out, description)
12135 class _PassThroughAction(argparse.Action):
12136 """Pass an argument through to the IMP Boost parser"""
12137 def __call__(self, parser, namespace, values, option_string=None):
12138 parser._boost_command_line.append(option_string)
12140 parser._boost_command_line.append(values)
12143 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12144 parser._handle_boost()
12148 """IMP-specific subclass of argparse.ArgumentParser.
12149 This adds options common to all IMP applications
12150 (see IMP::setup_from_argv()).
12153 def __init__(self, *args, **kwargs):
12155 kwargs[
'add_help'] =
False
12156 super().__init__(*args, **kwargs)
12157 for ntoken
in (0, 1):
12158 flags = _get_all_flags(ntoken)
12160 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12161 self.add_argument(*arg, help=argparse.SUPPRESS,
12162 nargs=
None if ntoken
else 0,
12163 action=_PassThroughAction,
12164 default=argparse.SUPPRESS)
12167 """Parse the command line and return optional and positional arguments.
12168 This functions in the same way as the method in the base class
12169 argparse.ArgumentParser, except that it also processes optional
12170 arguments common to all IMP applications (these are not returned
12171 in `args`, but can be obtained in the usual way, e.g. by calling
12172 IMP::get_string_flag()).
12175 self._boost_command_line = [sys.argv[0]]
12177 if len(self._boost_command_line) > 1:
12178 self._handle_boost()
12181 def _get_description(self):
12182 return self.format_help() +
"\nOptions common to all IMP applications:"
12184 def print_help(self, file=None):
12185 _print_internal_help(file
if file
else sys.stdout,
12186 self._get_description())
12188 def _handle_boost(self):
12190 self._get_description(),
12193 class RandomNumberGenerator(object):
12194 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12197 __repr__ = _swig_repr
12200 r"""seed(RandomNumberGenerator self, int x)"""
12201 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12203 def __call__(self):
12204 r"""__call__(RandomNumberGenerator self) -> int"""
12205 return _IMP_kernel.RandomNumberGenerator___call__(self)
12207 def get_state(self):
12208 r"""get_state(RandomNumberGenerator self) -> PyObject *"""
12209 return _IMP_kernel.RandomNumberGenerator_get_state(self)
12211 def set_state(self, p):
12212 r"""set_state(RandomNumberGenerator self, PyObject * p)"""
12213 return _IMP_kernel.RandomNumberGenerator_set_state(self, p)
12215 def __init__(self):
12216 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12217 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12218 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12221 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12225 get_random_float_uniform() -> float
12226 get_random_float_uniform(float min, float max) -> float
12228 return _IMP_kernel.get_random_float_uniform(*args)
12232 get_random_double_uniform() -> double
12233 get_random_double_uniform(double min, double max) -> double
12235 return _IMP_kernel.get_random_double_uniform(*args)
12237 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12238 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12239 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12241 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12242 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12243 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12245 def get_random_floats_uniform(n):
12246 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12247 return _IMP_kernel.get_random_floats_uniform(n)
12249 def get_random_doubles_uniform(n):
12250 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12251 return _IMP_kernel.get_random_doubles_uniform(n)
12254 r"""get_random_seed() -> boost::uint64_t"""
12255 return _IMP_kernel.get_random_seed()
12257 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12258 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12259 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12261 def _get_floats_numpy(m, k, m_pyobj, read_only):
12262 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12263 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12265 def _get_ints_numpy(m, k, m_pyobj, read_only):
12266 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12267 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12269 def _get_particle_indexes_numpy(m, k, m_pyobj, read_only):
12270 r"""_get_particle_indexes_numpy(Model m, ParticleIndexKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12271 return _IMP_kernel._get_particle_indexes_numpy(m, k, m_pyobj, read_only)
12273 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12274 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12275 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12277 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12278 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12279 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12281 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12282 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12283 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12285 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12286 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12287 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12289 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12290 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12291 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12293 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12294 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12295 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12297 def _get_spheres_numpy(m, m_pyobj, read_only):
12298 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12299 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12301 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12302 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12303 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12305 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12306 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12307 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12309 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12310 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12311 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12315 ParticleIndex = numpy.intc
12316 except ImportError:
12321 """Warning for incomplete JAX support or different behavior of JAX code"""
12325 def get_module_name():
12326 r"""get_module_name() -> std::string const"""
12327 return _IMP_kernel.get_module_name()
12330 r"""get_module_version() -> std::string const"""
12331 return _IMP_kernel.get_module_version()
12334 r"""get_example_path(std::string fname) -> std::string"""
12335 return _IMP_kernel.get_example_path(fname)
12338 r"""get_data_path(std::string fname) -> std::string"""
12339 return _IMP_kernel.get_data_path(fname)
12341 from .
import _version_check
12346 random_number_generator = cvar.random_number_generator
Particle * get_particle(ParticleIndex p) const
Get the particle from an index.
A base class for modifiers of ParticlesTemp.
A class to store a configuration of a model.
def get_ints_numpy
Get the model's attribute array for IntKey k as a NumPy array.
VectorD< D > get_basis_vector_kd(int Di, unsigned int coordinate)
Return the basis vector for the given coordinate.
Abstract class for scoring object(s) of type ParticleIndexPair.
A shared container for Pairs.
void add_int_flag(std::string name, size_t default_value, std::string description)
Allow command line tools to easily implement multiple commands.
CheckLevel get_check_level()
Get the current audit mode.
VectorD< D > get_ones_vector_kd(unsigned int Di, double v=1)
Return a vector of ones (or another constant)
Key< 11 > TriggerKey
The type used to identify changed model properties.
Abstract predicate function.
Key< 0 > FloatKey
The type used to identify float attributes in the Particles.
def allow_deprecated
Context manager to temporarily allow (or disallow) deprecated code.
std::string get_unique_name(std::string templ)
Return a unique name produced from the string.
DependencyGraph get_dependency_graph(Model *m)
def get_floats_numpy
Get the model's attribute array for FloatKey k as a NumPy array.
Objects get_live_objects()
Return pointers to all live objects.
def get_derived_object
Return this object cast to the most derived subclass.
Vector< char > write_particles_to_buffer(const ParticlesTemp &particles, const FloatKeys &keys)
return a binary buffer with the data
Key< 13 > SparseIntKey
The type used to identify sparse int attributes in the Particles.
def main
Call this method to act upon the user-provided command line.
Key< 15 > SparseParticleIndexKey
The type used to identify sparse particle attributes in the Particles.
Vector3D get_orthogonal_vector(const Vector3D &v)
Return a vector that is perpendicular to the given vector.
boost::graph DependencyGraph
Directed graph on the interactions between the various objects in the model.
ContainersTemp get_input_containers(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
def deprecated_module
Mark a Python module as deprecated.
Key< 16 > Vector3DKey
The type used to identify 3D vector attributes in the Particles.
Vector< VectorD< D > > get_vertices(const BoundingBoxD< D > &bb)
Return a list of the 2^D bounding points for the bounding box.
Array< 4, WeakPointer< Particle >, Particle * > ParticleQuad
bool get_bool_flag(std::string name)
VectorD< D > get_zero_vector_kd(int Di)
Return a dynamically sized vector of zeros.
void handle_use_deprecated(std::string message)
Break in this method in gdb to find deprecated uses at runtime.
void set_progress_display(std::string description, unsigned int steps)
Set up the progress bar with the passed description.
def deprecated_function
Python decorator to mark a function as deprecated.
virtual ::IMP::VersionInfo get_version_info() const override
Get information about the module and version of the object.
void remove_attribute(TypeKey attribute_key, ParticleIndex particle)
remove particle attribute with the specified key
Index< ParticleIndexTag > ParticleIndex
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
An unbounded space with no periodic boundary conditions.
Key< 19 > Vector4DDerivKey
The type used to identify 4D vector attributes&derivatives in the Particles.
Key< 6 > ParticleIndexesKey
The type used to identify a particle attribute in the Particles.
Array< 3, WeakPointer< Particle >, Particle * > ParticleTriplet
ContainersTemp get_output_containers(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
Base class for all samplers.
void add_particle(RMF::FileHandle fh, Particle *hs)
virtual void clear_caches()
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_string_flag(std::string name, std::string default_value, std::string description)
LogLevel get_log_level()
Get the currently active global log level.
def get_sphere_derivatives_numpy
Get the model's XYZR attribute derivatives arrays as NumPy arrays.
void set_deprecation_warnings(bool tf)
Toggle printing of warnings on using deprecated classes.
Vector3D get_centroid(const Vector3Ds &ps)
Return the centroid of a set of vectors.
def get_numpy
Get the model's attribute array for any type of Key k as a NumPy array.
TextOutput create_temporary_file(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file. The path can be extracted from the TextOutput.
ParticlesTemp get_output_particles(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
ScoringFunction * create_scoring_function(RestraintType *rs, double weight=1.0, double max=NO_MAX, std::string name=std::string())
Create a ScoringFunction on a single restraint.
A base class for modifiers of ParticlePairsTemp.
void write_help(std::ostream &out=std::cerr)
Key< 2 > StringKey
The type used to identify string attributes in the Particles.
size_t get_int_flag(std::string name)
Key< 10 > FloatsKey
The type used to identify float vector attributes in the Particles.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
Key< 17 > Vector3DDerivKey
The type used to identify 3D vector attributes&derivatives in the Particles.
Abstract class for scoring object(s) of type ParticleIndexQuad.
Base class for objects in a Model that depend on other objects.
boost::uint64_t get_random_seed()
Return the initial random seed.
Abstract predicate function.
Key< 3 > ParticleIndexKey
The type used to identify a particle attribute in the Particles.
Strings get_live_object_names()
Return the names of all live objects.
void add_to_progress_display(unsigned int step=1)
Set the current progress.
void add_attribute(TypeKey attribute_key, ParticleIndex particle, Type value)
add particle attribute with the specified key and initial value
void add_float_flag(std::string name, double default_value, std::string description)
virtual void do_destroy()
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Common base class for heavy weight IMP objects.
ParticleIndexes get_particle_indexes(ParticlesTemp const &particles)
def deprecated_method
Python decorator to mark a method as deprecated.
Abstract class for scoring object(s) of type ParticleIndex.
Base class for all optimizers.
void reset_log_timer()
Reset the log timer.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
void add_to_log(LogLevel level, std::string to_write)
Write a string to the log, for Python.
def parse_args
Parse the command line and return optional and positional arguments.
def get_internal_coordinates_numpy
Get the model's internal coordinate array as a NumPy array.
double get_distance(const VectorD< D > &v1, const VectorD< D > &v2)
Compute the distance between two vectors.
void set_is_optimized(TypeKey attribute_key, ParticleIndex particle, bool true_or_false)
Key< 1 > IntKey
The type used to identify int attributes in the Particles.
Restraints create_decomposition(const RestraintsTemp &rs)
Return the decomposition of a list of restraints.
std::string get_relative_path(std::string base, std::string relative)
Return a path to a file relative to another file.
A class to store a set of configurations of a model.
A shared container for Quads.
def get_internal_coordinate_derivatives_numpy
Get the model's internal coordinate derivative array as a NumPy array.
A shared container for Singletons.
void set_deprecation_exceptions(bool tf)
Toggle whether an exception is thrown when a deprecated method is used.
Support for the JAX Python library.
def get_spheres_numpy
Get the model's XYZR attribute arrays as NumPy arrays.
Key< 4 > ObjectKey
The type used to identify an Object attribute.
Interface to specialized Particle types (e.g. atoms)
IMP-specific subclass of argparse.ArgumentParser.
def get_derivatives_numpy
Get the model's attribute derivatives array for key k as a NumPy array.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
std::string get_executable_name()
Return the name of the current executable.
void set_log_level(LogLevel l)
Set the current global log level.
unsigned int get_number_of_threads()
float get_random_float_uniform()
Return a uniformly distributed float number in range [0..1)
def deprecated_object
Python decorator to mark a class as deprecated.
ParticlesTemp get_input_particles(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
Base class for optimizers that act on individual attributes.
void set_show_leaked_objects(bool tf)
Set whether to complain about objects not being properly cleaned up.
Abstract predicate function.
bool get_deprecation_exceptions()
Get whether an exception is thrown when a deprecated method is used.
Represents a scoring function on the model.
void set_log_timer(bool tb)
Set whether log messages are tagged with the current log time.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
DependencyGraph get_pruned_dependency_graph(Model *m)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Warning for incomplete JAX support or different behavior of JAX code.
Object(std::string name)
Construct an object with the given name.
Array< 2, WeakPointer< Particle >, Particle * > ParticlePair
Key< 5 > IntsKey
The type used to identify int attributes in the Particles.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Abstract predicate function.
Abstract class to implement hierarchical methods.
A base class for modifiers of ParticleTripletsTemp.
std::string show_graphviz(Graph g)
void set_check_level(CheckLevel l)
std::string get_string_flag(std::string name)
networkx::DiGraph get_networkx_graph(Graph g)
Key< 18 > Vector4DKey
The type used to identify 4D vector attributes in the Particles.
double get_random_double_uniform()
Return a uniformly distributed double number in range [0..1)
Key< 8 > ModelKey
The type used to identify data stored directly in the model.
A base class for modifiers of ParticleQuadsTemp.
Key< 14 > SparseFloatKey
The type used to identify sparse float attributes in the Particles.
A shared container for Triplets.
def get_vector3ds_numpy
Get the model's attribute array for Vector3DKey k as a NumPy array.
Vector3D get_vector_product(const Vector3D &p1, const Vector3D &p2)
Return the vector product (cross product) of two vectors.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void show_altgraph(Graph g)
void update()
Sometimes it is useful to be able to make sure the model is up to date.
void setup_from_argv(int argc, char **argv, std::string description)
Parse the command line flags and return the positional arguments.
void add_bool_flag(std::string name, std::string description)
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract class for containers of particles.
void read_particles_from_buffer(const Vector< char > &buffer, const ParticlesTemp &particles, const FloatKeys &keys)
load found attributes into the particles
Abstract single variable functor class for score functions.
void set_number_of_threads(unsigned int n)
double get_float_flag(std::string name)
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
ScoreStatesTemp get_update_order(ScoreStatesTemp input)
std::string get_module_version()
Return the version of this module, as a string.
std::string create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file.
A restraint is a term in an IMP ScoringFunction.
Key< 12 > SparseStringKey
The type used to identify sparse string attributes in the Particles.
std::string get_copyright()
Get the IMP copyright notice.