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)
5470 def _get_jax(self, space):
5471 """Return a JAX implementation of this Restraint.
5472 Implement this method in a Restraint subclass to provide
5473 an equivalent function using [JAX](https://docs.jax.dev/)
5474 that scores the current JAX Model. See also _wrap_jax.
5476 @param space The space in which the restraint is evaluated
5477 (e.g. a periodic box). See IMP._jax_util.Space.
5479 raise NotImplementedError(
5480 f
"No JAX implementation for {self} ({type(self)})")
5482 def _evaluate_jax(self, space=None):
5483 """Similar to evaluate(False), but using JAX.
5484 This is intended to be useful for testing purposes. It will likely
5485 not be particularly fast as it will copy the IMP Model and
5486 jax.jit-compile the scoring function each time.
5488 @param space The space in which the restraint is evaluated
5489 (e.g. a periodic box). See IMP._jax_util.Space. If not
5490 specified, an unbounded (free) space is used.
5495 jm = ji.get_jax_model()
5496 j = jax.jit(ji.score_func)
5499 def __disown__(self):
5501 _IMP_kernel.disown_Restraint(self)
5502 return weakref.proxy(self)
5505 r"""do_destroy(Restraint self)"""
5506 return _IMP_kernel.Restraint_do_destroy(self)
5508 def handle_set_has_required_score_states(self, arg0):
5509 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5510 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5512 def do_get_inputs(self):
5513 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5514 return _IMP_kernel.Restraint_do_get_inputs(self)
5516 def do_get_interactions(self):
5517 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5518 return _IMP_kernel.Restraint_do_get_interactions(self)
5521 _IMP_kernel.Restraint_swigregister(Restraint)
5522 class _RestraintsAdaptor(_InputAdaptor):
5523 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5526 __repr__ = _swig_repr
5528 def __init__(self, *args):
5530 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5531 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5532 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5533 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5535 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5536 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5539 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5540 class RestraintSet(Restraint):
5541 r"""Proxy of C++ IMP::RestraintSet class."""
5543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5545 def __init__(self, *args):
5547 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5548 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5549 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5550 __init__(RestraintSet self) -> RestraintSet
5552 if self.__class__ == RestraintSet:
5556 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5558 if self.__class__ != RestraintSet:
5559 _director_objects.register(self)
5564 def unprotected_evaluate(self, da):
5565 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5566 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5568 def get_type_name(self):
5569 r"""get_type_name(RestraintSet self) -> std::string"""
5570 return _IMP_kernel.RestraintSet_get_type_name(self)
5573 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5574 return _IMP_kernel.RestraintSet_get_version_info(self)
5575 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5576 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)
5577 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5578 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5579 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5581 def remove_restraint(self, d):
5582 r"""remove_restraint(RestraintSet self, Restraint d)"""
5583 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5585 def _python_index_restraint(self, d, start, stop):
5586 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5587 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5589 def remove_restraints(self, d):
5590 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5591 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5593 def set_restraints(self, ps):
5594 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5595 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5597 def set_restraints_order(self, objs):
5598 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5599 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5602 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5603 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5606 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5607 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5609 def clear_restraints(self):
5610 r"""clear_restraints(RestraintSet self)"""
5611 return _IMP_kernel.RestraintSet_clear_restraints(self)
5613 def get_number_of_restraints(self):
5614 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5615 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5617 def get_has_restraints(self):
5618 r"""get_has_restraints(RestraintSet self) -> bool"""
5619 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5621 def get_restraint(self, i):
5622 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5623 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5625 def get_restraints(self):
5626 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5627 return _IMP_kernel.RestraintSet_get_restraints(self)
5629 def erase_restraint(self, i):
5630 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5631 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5633 def reserve_restraints(self, sz):
5634 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5635 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5637 def get_non_sets_and_sets(self):
5638 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5639 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5641 def do_get_inputs(self):
5642 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5643 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5646 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5647 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5649 def get_last_score(self):
5650 r"""get_last_score(RestraintSet self) -> double"""
5651 return _IMP_kernel.RestraintSet_get_last_score(self)
5654 r"""__str__(RestraintSet self) -> std::string"""
5655 return _IMP_kernel.RestraintSet___str__(self)
5658 r"""__repr__(RestraintSet self) -> std::string"""
5659 return _IMP_kernel.RestraintSet___repr__(self)
5663 return _object_cast_to_RestraintSet(o)
5666 def do_show(self, out):
5671 return _object_cast_to_RestraintSet(o)
5674 def _get_as_binary(self):
5675 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5676 return _IMP_kernel.RestraintSet__get_as_binary(self)
5678 def _set_from_binary(self, p):
5679 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5680 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5682 def __getstate__(self):
5683 p = self._get_as_binary()
5684 if len(self.__dict__) > 1:
5685 d = self.__dict__.copy()
5690 def __setstate__(self, p):
5691 if not hasattr(self,
'this'):
5693 if isinstance(p, tuple):
5695 self.__dict__.update(d)
5696 return self._set_from_binary(p)
5699 def _get_restraint_jax_funcs_keys(self, space):
5700 jis = [r.get_derived_object()._get_jax(space)
for r
in self.restraints]
5701 funcs = [j.score_func
for j
in jis]
5702 keys = frozenset(x
for j
in jis
for x
in j._keys)
5705 def _get_jax(self, space):
5706 funcs, keys = self._get_restraint_jax_funcs_keys(space)
5709 return sum(f(jm)
for f
in funcs)
5713 return self._wrap_jax(jax_sf, keys=keys)
5715 def __disown__(self):
5717 _IMP_kernel.disown_RestraintSet(self)
5718 return weakref.proxy(self)
5721 r"""do_destroy(RestraintSet self)"""
5722 return _IMP_kernel.RestraintSet_do_destroy(self)
5724 def handle_set_has_required_score_states(self, arg0):
5725 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5726 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5728 def do_get_outputs(self):
5729 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5730 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5732 def do_get_interactions(self):
5733 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5734 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5736 def do_create_decomposition(self):
5737 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5738 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5740 def do_create_current_decomposition(self):
5741 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5742 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5744 def do_add_score_and_derivatives(self, sa):
5745 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5746 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5748 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5749 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5750 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5753 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5755 def get_restraints(rs):
5756 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5757 return _IMP_kernel.get_restraints(rs)
5759 def _check_particle(p, a):
5760 if (
not p.get_is_active()):
5761 raise ValueError(
"Inactive Particle")
5762 if (type(a)() == a):
5763 raise IndexError(
"Cannot use default Index")
5764 if (
not p.has_attribute(a)):
5765 raise IndexError(
"Particle does not have attribute")
5767 class Particle(ModelObject):
5768 r"""Proxy of C++ IMP::Particle class."""
5770 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5773 r"""get_version_info(Particle self) -> VersionInfo"""
5774 return _IMP_kernel.Particle_get_version_info(self)
5775 __swig_destroy__ = _IMP_kernel.delete_Particle
5777 def __init__(self, *args):
5779 __init__(Particle self, Model m, std::string name) -> Particle
5780 __init__(Particle self, Model m) -> Particle
5781 __init__(Particle self) -> Particle
5783 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5785 def get_float_keys(self):
5786 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5787 return _IMP_kernel.Particle_get_float_keys(self)
5789 def get_floats_keys(self):
5790 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5791 return _IMP_kernel.Particle_get_floats_keys(self)
5793 def get_int_keys(self):
5794 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5795 return _IMP_kernel.Particle_get_int_keys(self)
5797 def get_ints_keys(self):
5798 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5799 return _IMP_kernel.Particle_get_ints_keys(self)
5801 def get_string_keys(self):
5802 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5803 return _IMP_kernel.Particle_get_string_keys(self)
5805 def get_object_keys(self):
5806 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5807 return _IMP_kernel.Particle_get_object_keys(self)
5809 def add_cache_attribute(self, *args):
5811 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5812 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5813 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5814 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5815 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5816 add_cache_attribute(Particle self, ObjectKey name, Object value)
5817 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5819 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5821 def get_weak_object_keys(self):
5822 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5823 return _IMP_kernel.Particle_get_weak_object_keys(self)
5825 def add_to_derivative(self, *args):
5827 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5828 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5829 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5831 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5833 def set_is_optimized(self, *args):
5835 set_is_optimized(Particle self, FloatKey k, bool tf)
5836 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5837 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5839 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5841 def get_is_optimized(self, *args):
5843 get_is_optimized(Particle self, FloatKey k) -> bool
5844 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5845 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5847 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5849 def get_derivative(self, *args):
5851 get_derivative(Particle self, FloatKey k) -> IMP::Float
5852 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5853 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5855 return _IMP_kernel.Particle_get_derivative(self, *args)
5857 def add_attribute(self, *args):
5859 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5860 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5861 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5862 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5863 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5864 add_attribute(Particle self, ObjectKey name, Object initial_value)
5865 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5866 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5867 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5868 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5869 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5870 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5871 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5873 return _IMP_kernel.Particle_add_attribute(self, *args)
5875 def has_attribute(self, *args):
5877 has_attribute(Particle self, FloatKey name) -> bool
5878 has_attribute(Particle self, FloatsKey name) -> bool
5879 has_attribute(Particle self, IntKey name) -> bool
5880 has_attribute(Particle self, IntsKey name) -> bool
5881 has_attribute(Particle self, StringKey name) -> bool
5882 has_attribute(Particle self, ObjectKey name) -> bool
5883 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5884 has_attribute(Particle self, SparseStringKey name) -> bool
5885 has_attribute(Particle self, SparseIntKey name) -> bool
5886 has_attribute(Particle self, SparseFloatKey name) -> bool
5887 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5888 has_attribute(Particle self, ParticleIndexKey k) -> bool
5890 return _IMP_kernel.Particle_has_attribute(self, *args)
5892 def set_value(self, *args):
5894 set_value(Particle self, FloatKey name, IMP::Float value)
5895 set_value(Particle self, FloatsKey name, IMP::Floats value)
5896 set_value(Particle self, IntKey name, IMP::Int value)
5897 set_value(Particle self, IntsKey name, IMP::Ints value)
5898 set_value(Particle self, StringKey name, IMP::String value)
5899 set_value(Particle self, ObjectKey name, Object value)
5900 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5901 set_value(Particle self, SparseStringKey name, IMP::String value)
5902 set_value(Particle self, SparseIntKey name, IMP::Int value)
5903 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5904 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5905 set_value(Particle self, ParticleIndexKey k, Particle v)
5907 return _IMP_kernel.Particle_set_value(self, *args)
5909 def get_value(self, *args):
5911 get_value(Particle self, FloatKey name) -> IMP::Float
5912 get_value(Particle self, FloatsKey name) -> IMP::Floats
5913 get_value(Particle self, IntKey name) -> IMP::Int
5914 get_value(Particle self, IntsKey name) -> IMP::Ints
5915 get_value(Particle self, StringKey name) -> IMP::String
5916 get_value(Particle self, ObjectKey name) -> Object
5917 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5918 get_value(Particle self, SparseStringKey name) -> IMP::String
5919 get_value(Particle self, SparseIntKey name) -> IMP::Int
5920 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5921 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5922 get_value(Particle self, ParticleIndexKey k) -> Particle
5924 return _IMP_kernel.Particle_get_value(self, *args)
5926 def remove_attribute(self, *args):
5928 remove_attribute(Particle self, FloatKey name)
5929 remove_attribute(Particle self, FloatsKey name)
5930 remove_attribute(Particle self, IntKey name)
5931 remove_attribute(Particle self, IntsKey name)
5932 remove_attribute(Particle self, StringKey name)
5933 remove_attribute(Particle self, ObjectKey name)
5934 remove_attribute(Particle self, IMP::WeakObjectKey name)
5935 remove_attribute(Particle self, SparseStringKey name)
5936 remove_attribute(Particle self, SparseIntKey name)
5937 remove_attribute(Particle self, SparseFloatKey name)
5938 remove_attribute(Particle self, SparseParticleIndexKey name)
5939 remove_attribute(Particle self, ParticleIndexKey k)
5941 return _IMP_kernel.Particle_remove_attribute(self, *args)
5943 def get_particle_keys(self):
5944 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5945 return _IMP_kernel.Particle_get_particle_keys(self)
5947 def show(self, *args):
5948 r"""show(Particle self, _ostream out=std::cout)"""
5949 return _IMP_kernel.Particle_show(self, *args)
5951 def get_is_active(self):
5952 r"""get_is_active(Particle self) -> bool"""
5953 return _IMP_kernel.Particle_get_is_active(self)
5956 r"""get_index(Particle self) -> ParticleIndex"""
5957 return _IMP_kernel.Particle_get_index(self)
5959 def __eq__(self, *args):
5961 __eq__(Particle self, Particle o) -> bool
5962 __eq__(Particle self, Decorator d) -> bool
5964 return _IMP_kernel.Particle___eq__(self, *args)
5966 def __ne__(self, *args):
5968 __ne__(Particle self, Particle o) -> bool
5969 __ne__(Particle self, Decorator d) -> bool
5971 return _IMP_kernel.Particle___ne__(self, *args)
5973 def __le__(self, *args):
5975 __le__(Particle self, Particle o) -> bool
5976 __le__(Particle self, Decorator d) -> bool
5978 return _IMP_kernel.Particle___le__(self, *args)
5980 def __lt__(self, *args):
5982 __lt__(Particle self, Particle o) -> bool
5983 __lt__(Particle self, Decorator d) -> bool
5985 return _IMP_kernel.Particle___lt__(self, *args)
5987 def __ge__(self, *args):
5989 __ge__(Particle self, Particle o) -> bool
5990 __ge__(Particle self, Decorator d) -> bool
5992 return _IMP_kernel.Particle___ge__(self, *args)
5994 def __gt__(self, *args):
5996 __gt__(Particle self, Particle o) -> bool
5997 __gt__(Particle self, Decorator d) -> bool
5999 return _IMP_kernel.Particle___gt__(self, *args)
6001 __hash__ = ModelObject.__hash__
6005 r"""__str__(Particle self) -> std::string"""
6006 return _IMP_kernel.Particle___str__(self)
6009 r"""__repr__(Particle self) -> std::string"""
6010 return _IMP_kernel.Particle___repr__(self)
6014 return _object_cast_to_Particle(o)
6017 def _get_as_binary(self):
6018 r"""_get_as_binary(Particle self) -> PyObject *"""
6019 return _IMP_kernel.Particle__get_as_binary(self)
6021 def _set_from_binary(self, p):
6022 r"""_set_from_binary(Particle self, PyObject * p)"""
6023 return _IMP_kernel.Particle__set_from_binary(self, p)
6025 def __getstate__(self):
6026 p = self._get_as_binary()
6027 if len(self.__dict__) > 1:
6028 d = self.__dict__.copy()
6033 def __setstate__(self, p):
6034 if not hasattr(self,
'this'):
6036 if isinstance(p, tuple):
6038 self.__dict__.update(d)
6039 return self._set_from_binary(p)
6043 _IMP_kernel.Particle_swigregister(Particle)
6044 class _ParticleAdaptor(_InputAdaptor):
6045 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6047 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6048 __repr__ = _swig_repr
6050 def __init__(self, *args):
6052 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6053 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6054 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6056 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6058 def get_model(self):
6059 r"""get_model(_ParticleAdaptor self) -> Model"""
6060 return _IMP_kernel._ParticleAdaptor_get_model(self)
6062 def get_particle_index(self):
6063 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6064 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6065 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6068 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6069 class _DependencyGraphVertexIndex(object):
6070 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6073 __repr__ = _swig_repr
6076 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6077 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6078 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6081 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6083 def show_as_graphviz(name, out):
6084 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6085 return _IMP_kernel.show_as_graphviz(name, out)
6087 def get_vertex_index(g):
6088 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6089 return _IMP_kernel.get_vertex_index(g)
6092 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6093 return _IMP_kernel.get_dependency_graph(m)
6096 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6097 return _IMP_kernel.get_pruned_dependency_graph(m)
6099 def get_dependent_particles(p, all, dg, index):
6100 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6101 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6103 def get_required_score_states(*args):
6105 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6106 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6107 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6109 return _IMP_kernel.get_required_score_states(*args)
6110 class ScoringFunction(ModelObject):
6111 r"""Proxy of C++ IMP::ScoringFunction class."""
6113 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6115 def do_add_score_and_derivatives(self, sa, ss):
6116 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6117 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6119 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6120 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)"""
6121 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6123 def get_score_accumulator_if_below(self, deriv, max):
6124 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6125 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6127 def get_score_accumulator_if_good(self, deriv):
6128 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6129 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6131 def get_score_accumulator(self, deriv):
6132 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6133 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6135 def __init__(self, *args):
6137 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6138 __init__(ScoringFunction self) -> ScoringFunction
6140 if self.__class__ == ScoringFunction:
6144 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6146 if self.__class__ != ScoringFunction:
6147 _director_objects.register(self)
6152 def do_get_outputs(self):
6153 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6154 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6156 def evaluate(self, derivatives):
6157 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6158 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6160 def evaluate_if_good(self, derivatives):
6161 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6162 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6164 def evaluate_if_below(self, derivatives, max):
6165 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6166 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6168 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6169 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6170 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6172 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6173 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6174 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6176 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6177 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6178 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6180 def clear_moved_cache(self):
6181 r"""clear_moved_cache(ScoringFunction self)"""
6182 return _IMP_kernel.ScoringFunction_clear_moved_cache(self)
6184 def get_had_good_score(self):
6185 r"""get_had_good_score(ScoringFunction self) -> bool"""
6186 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6188 def get_last_score(self):
6189 r"""get_last_score(ScoringFunction self) -> double"""
6190 return _IMP_kernel.ScoringFunction_get_last_score(self)
6193 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6194 return _IMP_kernel.ScoringFunction_create_restraints(self)
6196 def get_single_restraint(self):
6197 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6198 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6201 r"""__str__(ScoringFunction self) -> std::string"""
6202 return _IMP_kernel.ScoringFunction___str__(self)
6205 r"""__repr__(ScoringFunction self) -> std::string"""
6206 return _IMP_kernel.ScoringFunction___repr__(self)
6210 return _object_cast_to_ScoringFunction(o)
6213 def do_show(self, out):
6218 return _object_cast_to_ScoringFunction(o)
6221 def _get_jax(self, space=None):
6224 r = self.get_single_restraint()
6226 raise NotImplementedError(
6227 f
"No JAX implementation for {self} ({type(self)})")
6229 return r.get_derived_object()._get_jax(space)
6231 def _evaluate_jax(self, space=None):
6232 """Similar to evaluate(False), but using JAX.
6233 This is intended to be useful for testing purposes. It will likely
6234 not be particularly fast as it will copy the IMP Model and
6235 jax.jit-compile the scoring function each time.
6237 @param space The space in which the scoring function is evaluated
6238 (e.g. a periodic box). See IMP._jax_util.Space. If not
6239 specified, an unbounded (free) space is used.
6242 ji = self._get_jax(space)
6243 jm = ji.get_jax_model()
6244 j = jax.jit(ji.score_func)
6247 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6248 def __disown__(self):
6250 _IMP_kernel.disown_ScoringFunction(self)
6251 return weakref.proxy(self)
6254 r"""do_destroy(ScoringFunction self)"""
6255 return _IMP_kernel.ScoringFunction_do_destroy(self)
6257 def handle_set_has_required_score_states(self, arg0):
6258 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6259 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6261 def do_get_inputs(self):
6262 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6263 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6265 def do_get_interactions(self):
6266 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6267 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6270 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6274 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6275 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6277 return _IMP_kernel.create_decomposition(*args)
6278 class _ScoringFunctionAdaptor(_InputAdaptor):
6279 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6281 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6282 __repr__ = _swig_repr
6284 def __init__(self, *args):
6286 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6287 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6288 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6289 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6290 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6292 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6293 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6296 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6299 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6300 return _IMP_kernel.show_restraint_hierarchy(*args)
6301 class Undecorator(
Object):
6302 r"""Proxy of C++ IMP::Undecorator class."""
6304 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6306 def __init__(self, m, name):
6307 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6308 if self.__class__ == Undecorator:
6312 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6314 if self.__class__ != Undecorator:
6315 _director_objects.register(self)
6320 def teardown(self, pi):
6321 r"""teardown(Undecorator self, ParticleIndex pi)"""
6322 return _IMP_kernel.Undecorator_teardown(self, pi)
6325 r"""__str__(Undecorator self) -> std::string"""
6326 return _IMP_kernel.Undecorator___str__(self)
6329 r"""__repr__(Undecorator self) -> std::string"""
6330 return _IMP_kernel.Undecorator___repr__(self)
6334 return _object_cast_to_Undecorator(o)
6337 def do_show(self, out):
6342 return _object_cast_to_Undecorator(o)
6344 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6345 def __disown__(self):
6347 _IMP_kernel.disown_Undecorator(self)
6348 return weakref.proxy(self)
6351 r"""do_destroy(Undecorator self)"""
6352 return _IMP_kernel.Undecorator_do_destroy(self)
6355 _IMP_kernel.Undecorator_swigregister(Undecorator)
6357 r"""Proxy of C++ IMP::Model class."""
6359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6361 def __init__(self, *args):
6362 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6363 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6365 if self
not in _models_set:
6366 _models_set.add(self)
6371 def clear_particle_caches(self, pi):
6372 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6373 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6376 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6377 return _IMP_kernel.Model_add_particle(self, name)
6379 def get_particle_name(self, pi):
6380 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6381 return _IMP_kernel.Model_get_particle_name(self, pi)
6383 def add_undecorator(self, pi, d):
6384 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6385 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6387 def get_dependent_restraints_uncached(self, pi):
6388 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6389 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6391 def get_dependent_particles_uncached(self, pi):
6392 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6393 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6395 def get_dependent_score_states_uncached(self, pi):
6396 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6397 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6398 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)
6399 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6400 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6401 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6403 def remove_score_state(self, d):
6404 r"""remove_score_state(Model self, ScoreState d)"""
6405 return _IMP_kernel.Model_remove_score_state(self, d)
6407 def _python_index_score_state(self, d, start, stop):
6408 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6409 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6411 def remove_score_states(self, d):
6412 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6413 return _IMP_kernel.Model_remove_score_states(self, d)
6415 def set_score_states(self, ps):
6416 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6417 return _IMP_kernel.Model_set_score_states(self, ps)
6419 def set_score_states_order(self, objs):
6420 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6421 return _IMP_kernel.Model_set_score_states_order(self, objs)
6423 def add_score_state(self, obj):
6424 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6425 return _IMP_kernel.Model_add_score_state(self, obj)
6427 def add_score_states(self, objs):
6428 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6429 return _IMP_kernel.Model_add_score_states(self, objs)
6431 def clear_score_states(self):
6432 r"""clear_score_states(Model self)"""
6433 return _IMP_kernel.Model_clear_score_states(self)
6435 def get_number_of_score_states(self):
6436 r"""get_number_of_score_states(Model self) -> unsigned int"""
6437 return _IMP_kernel.Model_get_number_of_score_states(self)
6439 def get_has_score_states(self):
6440 r"""get_has_score_states(Model self) -> bool"""
6441 return _IMP_kernel.Model_get_has_score_states(self)
6443 def get_score_state(self, i):
6444 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6445 return _IMP_kernel.Model_get_score_state(self, i)
6447 def get_score_states(self):
6448 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6449 return _IMP_kernel.Model_get_score_states(self)
6451 def erase_score_state(self, i):
6452 r"""erase_score_state(Model self, unsigned int i)"""
6453 return _IMP_kernel.Model_erase_score_state(self, i)
6455 def reserve_score_states(self, sz):
6456 r"""reserve_score_states(Model self, unsigned int sz)"""
6457 return _IMP_kernel.Model_reserve_score_states(self, sz)
6460 r"""update(Model self)"""
6461 return _IMP_kernel.Model_update(self)
6463 def get_ordered_score_states(self):
6464 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6465 return _IMP_kernel.Model_get_ordered_score_states(self)
6467 def add_cache_attribute(self, *args):
6469 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6470 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6471 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6472 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6473 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6474 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6475 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6476 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6477 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6478 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6479 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6480 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6481 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6483 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6485 def add_attribute(self, *args):
6487 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6488 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6489 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6490 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6491 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6492 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6493 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6494 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6495 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6496 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6497 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6498 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6499 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6500 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6501 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6502 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6503 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6505 return _IMP_kernel.Model_add_attribute(self, *args)
6507 def remove_attribute(self, *args):
6509 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6510 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6511 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6512 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6513 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6514 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6515 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6516 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6517 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6518 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6519 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6520 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6521 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6522 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6523 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6524 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6525 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6527 return _IMP_kernel.Model_remove_attribute(self, *args)
6529 def get_has_attribute(self, *args):
6531 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6532 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6533 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6534 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6535 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6536 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6537 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6538 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6539 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6540 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6541 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6542 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6543 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6544 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6545 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6546 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6547 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6549 return _IMP_kernel.Model_get_has_attribute(self, *args)
6551 def set_attribute(self, *args):
6553 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6554 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6555 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6556 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6557 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6558 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6559 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6560 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6561 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6562 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6563 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6564 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6565 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6566 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6567 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6568 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6569 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6571 return _IMP_kernel.Model_set_attribute(self, *args)
6573 def get_attribute(self, *args):
6575 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6576 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6577 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6578 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6579 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6580 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6581 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6582 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6583 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6584 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6585 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6586 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6587 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6588 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6589 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6590 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6591 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6593 return _IMP_kernel.Model_get_attribute(self, *args)
6595 def set_is_optimized(self, *args):
6597 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6598 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6599 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6601 return _IMP_kernel.Model_set_is_optimized(self, *args)
6603 def add_to_derivative(self, *args):
6605 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6606 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6607 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6609 return _IMP_kernel.Model_add_to_derivative(self, *args)
6611 def get_particle(self, p):
6612 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6613 return _IMP_kernel.Model_get_particle(self, p)
6615 def get_has_particle(self, p):
6616 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6617 return _IMP_kernel.Model_get_has_particle(self, p)
6620 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6621 return _IMP_kernel.Model_get_particle_indexes(self)
6623 def get_model_objects(self):
6624 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6625 return _IMP_kernel.Model_get_model_objects(self)
6627 def remove_particle(self, pi):
6628 r"""remove_particle(Model self, ParticleIndex pi)"""
6629 return _IMP_kernel.Model_remove_particle(self, pi)
6631 def add_data(self, mk, o):
6632 r"""add_data(Model self, ModelKey mk, Object o)"""
6633 return _IMP_kernel.Model_add_data(self, mk, o)
6635 def get_data(self, mk):
6636 r"""get_data(Model self, ModelKey mk) -> Object"""
6637 return _IMP_kernel.Model_get_data(self, mk)
6639 def remove_data(self, mk):
6640 r"""remove_data(Model self, ModelKey mk)"""
6641 return _IMP_kernel.Model_remove_data(self, mk)
6643 def get_has_data(self, mk):
6644 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6645 return _IMP_kernel.Model_get_has_data(self, mk)
6648 r"""get_age(Model self) -> unsigned int"""
6649 return _IMP_kernel.Model_get_age(self)
6651 def get_trigger_last_updated(self, tk):
6652 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6653 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6655 def set_trigger_updated(self, tk):
6656 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6657 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6659 def get_dependencies_updated(self):
6660 r"""get_dependencies_updated(Model self) -> unsigned int"""
6661 return _IMP_kernel.Model_get_dependencies_updated(self)
6663 def get_removed_particles_attributes_age(self):
6664 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6665 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6667 def save_dependencies(self):
6668 r"""save_dependencies(Model self)"""
6669 return _IMP_kernel.Model_save_dependencies(self)
6671 def restore_dependencies(self):
6672 r"""restore_dependencies(Model self)"""
6673 return _IMP_kernel.Model_restore_dependencies(self)
6675 def get_particles_size(self):
6676 r"""get_particles_size(Model self) -> unsigned int"""
6677 return _IMP_kernel.Model_get_particles_size(self)
6679 def get_unique_id(self):
6680 r"""get_unique_id(Model self) -> uint32_t"""
6681 return _IMP_kernel.Model_get_unique_id(self)
6684 def get_by_unique_id(id):
6685 r"""get_by_unique_id(uint32_t id) -> Model"""
6686 return _IMP_kernel.Model_get_by_unique_id(id)
6689 r"""get_version_info(Model self) -> VersionInfo"""
6690 return _IMP_kernel.Model_get_version_info(self)
6691 __swig_destroy__ = _IMP_kernel.delete_Model
6693 r"""__del__(Model self)"""
6695 _director_objects.cleanup()
6702 r"""do_destroy(Model self)"""
6703 return _IMP_kernel.Model_do_destroy(self)
6706 r"""__str__(Model self) -> std::string"""
6707 return _IMP_kernel.Model___str__(self)
6710 r"""__repr__(Model self) -> std::string"""
6711 return _IMP_kernel.Model___repr__(self)
6715 return _object_cast_to_Model(o)
6718 def _get_as_binary(self):
6719 r"""_get_as_binary(Model self) -> PyObject *"""
6720 return _IMP_kernel.Model__get_as_binary(self)
6722 def _set_from_binary(self, p):
6723 r"""_set_from_binary(Model self, PyObject * p)"""
6724 return _IMP_kernel.Model__set_from_binary(self, p)
6726 def __getstate__(self):
6727 p = self._get_as_binary()
6728 if len(self.__dict__) > 1:
6729 d = self.__dict__.copy()
6734 def __setstate__(self, p):
6735 if not hasattr(self,
'this'):
6737 if isinstance(p, tuple):
6739 self.__dict__.update(d)
6740 return self._set_from_binary(p)
6744 """Get the model's attribute array for IntKey k as a NumPy array.
6745 The array is indexed by ParticleIndex; particles that don't have
6746 this attribute will either be off the end of the array or will have
6748 This is a NumPy view that shares memory with the Model. Thus,
6749 any changes to values in this list will be reflected in the Model.
6750 Also, if the Model attribute array moves in memory (e.g. if particles
6751 or attributes are added) this array will be invalidated, so it is
6752 unsafe to keep it around long term.
6753 If read_only is set True, values in the array cannot be changed.
6755 return _get_ints_numpy(self, k, self, read_only)
6758 """Get the model's attribute array for any type of Key
6759 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6760 _numpy_meth_map = {IntKey: _get_ints_numpy,
6761 FloatKey: _get_floats_numpy,
6762 Vector3DKey: _get_vector3ds_numpy,
6763 Vector3DDerivKey: _get_vector3dderiv_numpy,
6764 Vector4DKey: _get_vector4ds_numpy,
6765 Vector4DDerivKey: _get_vector4dderiv_numpy,
6766 ParticleIndexKey: _get_particle_indexes_numpy}
6767 return _numpy_meth_map[type(k)](self, k, self, read_only)
6770 """Get the model's attribute array for FloatKey k as a NumPy array.
6771 See Model::get_ints_numpy() for more details."""
6772 return _get_floats_numpy(self, k, self, read_only)
6775 """Get the model's attribute derivatives array for key k
6776 as a NumPy array. See Model::get_ints_numpy() for more details."""
6778 FloatKey: _get_derivatives_numpy,
6779 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6780 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6781 return _numpy_meth_map[type(k)](self, k, self, read_only)
6784 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6785 See Model::get_ints_numpy() for more details."""
6786 return _get_vector3ds_numpy(self, k, self, read_only)
6789 """Get the model's XYZR attribute arrays as NumPy arrays.
6790 The attribute arrays for Cartesian coordinates and radii are
6791 stored separately from those for other FloatKeys. This function
6792 returns a tuple of two NumPy arrays, the first of coordinates and
6793 the second of radii. See Model::get_ints_numpy() for more details."""
6794 return _get_spheres_numpy(self, self, read_only)
6797 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6798 See Model::get_ints_numpy() for more details."""
6799 return _get_sphere_derivatives_numpy(self, self, read_only)
6802 """Get the model's internal coordinate array as a NumPy array.
6803 The attribute arrays for rigid body internal coordinates are
6804 stored separately from those for other FloatKeys.
6805 See Model::get_ints_numpy() for more details."""
6806 return _get_internal_coordinates_numpy(self, self, read_only)
6809 """Get the model's internal coordinate derivative array as a
6811 See Model::get_ints_numpy() for more details."""
6812 return _get_internal_coordinate_derivatives_numpy(
6813 self, self, read_only)
6817 _IMP_kernel.Model_swigregister(Model)
6819 r"""Proxy of C++ IMP::Decorator class."""
6821 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6822 __repr__ = _swig_repr
6824 def __init__(self, p):
6825 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6826 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6828 def __ne__(self, o):
6829 r"""__ne__(Decorator self, Object o) -> bool"""
6830 return _IMP_kernel.Decorator___ne__(self, o)
6832 def __lt__(self, o):
6833 r"""__lt__(Decorator self, Object o) -> bool"""
6834 return _IMP_kernel.Decorator___lt__(self, o)
6836 def __gt__(self, o):
6837 r"""__gt__(Decorator self, Object o) -> bool"""
6838 return _IMP_kernel.Decorator___gt__(self, o)
6840 def __ge__(self, o):
6841 r"""__ge__(Decorator self, Object o) -> bool"""
6842 return _IMP_kernel.Decorator___ge__(self, o)
6844 def __le__(self, o):
6845 r"""__le__(Decorator self, Object o) -> bool"""
6846 return _IMP_kernel.Decorator___le__(self, o)
6849 r"""get_particle(Decorator self) -> Particle"""
6850 return _IMP_kernel.Decorator_get_particle(self)
6852 def get_particle_index(self):
6853 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6854 return _IMP_kernel.Decorator_get_particle_index(self)
6856 def get_model(self):
6857 m = _IMP_kernel.Decorator_get_model(self)
6858 if m
in _models_set:
6859 m = _models_set_get(m)
6864 def get_is_valid(self):
6865 r"""get_is_valid(Decorator self) -> bool"""
6866 return _IMP_kernel.Decorator_get_is_valid(self)
6869 r"""__hash__(Decorator self) -> std::size_t"""
6870 return _IMP_kernel.Decorator___hash__(self)
6872 def __eq__(self, *args):
6874 __eq__(Decorator self, Object o) -> bool
6875 __eq__(Decorator self, Decorator o) -> bool
6876 __eq__(Decorator self, Particle o) -> bool
6878 return _IMP_kernel.Decorator___eq__(self, *args)
6881 r"""__bool__(Decorator self) -> bool"""
6882 return _IMP_kernel.Decorator___bool__(self)
6883 __swig_destroy__ = _IMP_kernel.delete_Decorator
6886 _IMP_kernel.Decorator_swigregister(Decorator)
6888 def check_particle(m, pi):
6889 r"""check_particle(Model m, ParticleIndex pi)"""
6890 return _IMP_kernel.check_particle(m, pi)
6892 r"""Proxy of C++ IMP::UnaryFunction class."""
6894 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6896 def __init__(self, *args):
6897 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6898 if self.__class__ == UnaryFunction:
6902 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6904 if self.__class__ != UnaryFunction:
6905 _director_objects.register(self)
6910 def evaluate(self, feature):
6911 r"""evaluate(UnaryFunction self, double feature) -> double"""
6912 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6914 def evaluate_with_derivative(self, feature):
6915 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6916 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6917 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6920 r"""__str__(UnaryFunction self) -> std::string"""
6921 return _IMP_kernel.UnaryFunction___str__(self)
6924 r"""__repr__(UnaryFunction self) -> std::string"""
6925 return _IMP_kernel.UnaryFunction___repr__(self)
6929 return _object_cast_to_UnaryFunction(o)
6932 def do_show(self, out):
6937 return _object_cast_to_UnaryFunction(o)
6941 """Return a JAX implementation of this UnaryFunction.
6942 Implement this method in a UnaryFunction subclass to provide
6943 an equivalent function using [JAX](https://docs.jax.dev/)
6944 that scores the provided feature value.
6946 raise NotImplementedError(
6947 f
"No JAX implementation for {self} ({type(self)})")
6949 def __disown__(self):
6951 _IMP_kernel.disown_UnaryFunction(self)
6952 return weakref.proxy(self)
6955 r"""do_destroy(UnaryFunction self)"""
6956 return _IMP_kernel.UnaryFunction_do_destroy(self)
6959 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6961 r"""Proxy of C++ IMP::OptimizerState class."""
6963 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6965 def __init__(self, *args):
6967 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6968 __init__(OptimizerState self) -> OptimizerState
6970 if self.__class__ == OptimizerState:
6974 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6976 if self.__class__ != OptimizerState:
6977 _director_objects.register(self)
6983 r"""update(OptimizerState self)"""
6984 return _IMP_kernel.OptimizerState_update(self)
6986 def set_is_optimizing(self, arg0):
6987 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6988 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6990 def get_optimizer(self):
6991 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6992 return _IMP_kernel.OptimizerState_get_optimizer(self)
6994 def set_period(self, p):
6995 r"""set_period(OptimizerState self, unsigned int p)"""
6996 return _IMP_kernel.OptimizerState_set_period(self, p)
6998 def get_period(self):
6999 r"""get_period(OptimizerState self) -> unsigned int"""
7000 return _IMP_kernel.OptimizerState_get_period(self)
7003 r"""reset(OptimizerState self)"""
7004 return _IMP_kernel.OptimizerState_reset(self)
7006 def update_always(self):
7007 r"""update_always(OptimizerState self)"""
7008 return _IMP_kernel.OptimizerState_update_always(self)
7010 def get_number_of_updates(self):
7011 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
7012 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
7014 def set_number_of_updates(self, n):
7015 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
7016 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
7017 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
7019 def do_update(self, arg0):
7020 r"""do_update(OptimizerState self, unsigned int arg0)"""
7021 return _IMP_kernel.OptimizerState_do_update(self, arg0)
7023 def do_set_is_optimizing(self, arg0):
7024 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
7025 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
7027 def do_get_inputs(self):
7028 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7029 return _IMP_kernel.OptimizerState_do_get_inputs(self)
7031 def do_get_outputs(self):
7032 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7033 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7036 r"""__str__(OptimizerState self) -> std::string"""
7037 return _IMP_kernel.OptimizerState___str__(self)
7040 r"""__repr__(OptimizerState self) -> std::string"""
7041 return _IMP_kernel.OptimizerState___repr__(self)
7045 return _object_cast_to_OptimizerState(o)
7048 def do_show(self, out):
7053 return _object_cast_to_OptimizerState(o)
7056 def _get_jax(self, state_index):
7057 """Add JAX support for this OptimizerState.
7059 Each OptimizerState must explicitly support how it is going to
7060 be called when the Optimizer is run via JAX.
7062 OptimizerStates can run as traditional IMP CPU code
7063 on the IMP Model object, in which case None should be returned here.
7064 The Optimizer will sync any necessary information from JAX back
7065 with the IMP Model before calling the OptimizerState. However,
7066 the OptimizerState is not permitted to modify the Model; any
7067 changes will not be propagated back to the Optimizer.
7068 (For example, a thermostat which tries to change particle
7069 velocities will not function correctly.)
7071 Alternatively, a pure JAX implementation can be provided.
7072 See _wrap_jax for more information.
7074 raise NotImplementedError(
7075 f
"No JAX implementation for {self} ({type(self)})")
7077 def _wrap_jax(self, init_func, apply_func):
7078 """Create the return value for _get_jax.
7079 Use this method in _get_jax() to wrap the JAX function
7080 with other OptimizerState-specific information.
7082 @param init_func a JAX function which, given a JAX Optimizer,
7083 does any necessary setup and returns a (possibly modified)
7084 JAX Optimizer. If any OptimizerState-specific
7085 persistent state is needed, it can be stored in
7086 `opt.optimizer_states[state_index]` and later retrieved or
7087 modified in apply_func.
7088 @param apply_func a JAX function which, given a JAX Optimizer,
7089 does the JAX equivalent of do_update() and returns a new
7092 from IMP._jax_util
import JAXOptimizerStateInfo
7093 return JAXOptimizerStateInfo(self, init_func, apply_func)
7095 def __disown__(self):
7097 _IMP_kernel.disown_OptimizerState(self)
7098 return weakref.proxy(self)
7101 r"""do_destroy(OptimizerState self)"""
7102 return _IMP_kernel.OptimizerState_do_destroy(self)
7104 def handle_set_has_required_score_states(self, arg0):
7105 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7106 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7108 def do_get_interactions(self):
7109 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7110 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7113 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7115 r"""Proxy of C++ IMP::Refiner class."""
7117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7119 def __init__(self, *args):
7120 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7121 if self.__class__ == Refiner:
7125 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7127 if self.__class__ != Refiner:
7128 _director_objects.register(self)
7133 def get_can_refine(self, arg0):
7134 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7135 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7137 def get_refined_indexes(self, m, pi):
7138 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7139 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7141 def get_refined_indexes_by_ref(self, m, pi):
7142 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7143 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7145 def get_is_by_ref_supported(self):
7146 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7147 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7149 def get_refined(self, *args):
7151 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7152 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7154 return _IMP_kernel.Refiner_get_refined(self, *args)
7156 def get_number_of_refined(self, a):
7157 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7158 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7161 r"""__str__(Refiner self) -> std::string"""
7162 return _IMP_kernel.Refiner___str__(self)
7165 r"""__repr__(Refiner self) -> std::string"""
7166 return _IMP_kernel.Refiner___repr__(self)
7170 return _object_cast_to_Refiner(o)
7173 def do_show(self, out):
7178 return _object_cast_to_Refiner(o)
7180 __swig_destroy__ = _IMP_kernel.delete_Refiner
7181 def __disown__(self):
7183 _IMP_kernel.disown_Refiner(self)
7184 return weakref.proxy(self)
7186 def do_get_inputs(self, m, pis):
7187 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7188 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7191 r"""do_destroy(Refiner self)"""
7192 return _IMP_kernel.Refiner_do_destroy(self)
7195 _IMP_kernel.Refiner_swigregister(Refiner)
7197 r"""Proxy of C++ IMP::Optimizer class."""
7199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7201 def set_is_optimizing_states(self, tf):
7202 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7203 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7205 def get_optimizer_state_inputs(self):
7206 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7207 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7209 def do_get_inputs(self):
7210 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7211 return _IMP_kernel.Optimizer_do_get_inputs(self)
7213 def do_get_outputs(self):
7214 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7215 return _IMP_kernel.Optimizer_do_get_outputs(self)
7217 def __init__(self, *args):
7219 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7220 __init__(Optimizer self) -> Optimizer
7222 if self.__class__ == Optimizer:
7226 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7228 if self.__class__ != Optimizer:
7229 _director_objects.register(self)
7234 def optimize(self, max_steps):
7235 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7236 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7238 def set_stop_on_good_score(self, tf):
7239 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7240 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7242 def get_stop_on_good_score(self):
7243 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7244 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7246 def get_last_score(self):
7247 r"""get_last_score(Optimizer self) -> double"""
7248 return _IMP_kernel.Optimizer_get_last_score(self)
7250 def get_scoring_function(self):
7251 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7252 return _IMP_kernel.Optimizer_get_scoring_function(self)
7253 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)
7254 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7255 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7256 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7258 def remove_optimizer_state(self, d):
7259 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7260 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7262 def _python_index_optimizer_state(self, d, start, stop):
7263 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7264 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7266 def remove_optimizer_states(self, d):
7267 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7268 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7270 def set_optimizer_states(self, ps):
7271 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7272 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7274 def set_optimizer_states_order(self, objs):
7275 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7276 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7278 def add_optimizer_state(self, obj):
7279 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7280 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7282 def add_optimizer_states(self, objs):
7283 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7284 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7286 def clear_optimizer_states(self):
7287 r"""clear_optimizer_states(Optimizer self)"""
7288 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7290 def get_number_of_optimizer_states(self):
7291 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7292 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7294 def get_has_optimizer_states(self):
7295 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7296 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7298 def get_optimizer_state(self, i):
7299 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7300 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7302 def get_optimizer_states(self):
7303 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7304 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7306 def erase_optimizer_state(self, i):
7307 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7308 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7310 def reserve_optimizer_states(self, sz):
7311 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7312 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7314 def set_scoring_function(self, sf):
7315 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7316 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7317 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7319 r"""__del__(Optimizer self)"""
7321 _director_objects.cleanup()
7327 def do_optimize(self, ns):
7328 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7329 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7331 def update_states(self):
7332 r"""update_states(Optimizer self)"""
7333 return _IMP_kernel.Optimizer_update_states(self)
7336 r"""__str__(Optimizer self) -> std::string"""
7337 return _IMP_kernel.Optimizer___str__(self)
7340 r"""__repr__(Optimizer self) -> std::string"""
7341 return _IMP_kernel.Optimizer___repr__(self)
7345 return _object_cast_to_Optimizer(o)
7348 def do_show(self, out):
7353 return _object_cast_to_Optimizer(o)
7355 def __disown__(self):
7357 _IMP_kernel.disown_Optimizer(self)
7358 return weakref.proxy(self)
7361 r"""do_destroy(Optimizer self)"""
7362 return _IMP_kernel.Optimizer_do_destroy(self)
7364 def handle_set_has_required_score_states(self, arg0):
7365 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7366 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7368 def do_get_interactions(self):
7369 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7370 return _IMP_kernel.Optimizer_do_get_interactions(self)
7373 _IMP_kernel.Optimizer_swigregister(Optimizer)
7375 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7379 def __init__(self, *args):
7381 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7382 __init__(AttributeOptimizer self) -> AttributeOptimizer
7384 if self.__class__ == AttributeOptimizer:
7388 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7390 if self.__class__ != AttributeOptimizer:
7391 _director_objects.register(self)
7396 def get_optimized_attributes(self):
7397 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7398 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7400 def set_value(self, fi, v):
7401 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7402 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7404 def get_value(self, fi):
7405 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7406 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7408 def get_derivative(self, fi):
7409 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7410 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7412 def get_width(self, k):
7413 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7414 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7416 def set_scaled_value(self, fi, v):
7417 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7418 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7420 def get_scaled_value(self, fi):
7421 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7422 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7424 def get_scaled_derivative(self, fi):
7425 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7426 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7428 def clear_range_cache(self):
7429 r"""clear_range_cache(AttributeOptimizer self)"""
7430 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7433 r"""__str__(AttributeOptimizer self) -> std::string"""
7434 return _IMP_kernel.AttributeOptimizer___str__(self)
7437 r"""__repr__(AttributeOptimizer self) -> std::string"""
7438 return _IMP_kernel.AttributeOptimizer___repr__(self)
7442 return _object_cast_to_AttributeOptimizer(o)
7445 def do_show(self, out):
7450 return _object_cast_to_AttributeOptimizer(o)
7452 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7453 def __disown__(self):
7455 _IMP_kernel.disown_AttributeOptimizer(self)
7456 return weakref.proxy(self)
7459 r"""do_destroy(AttributeOptimizer self)"""
7460 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7462 def handle_set_has_required_score_states(self, arg0):
7463 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7464 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7466 def do_get_inputs(self):
7467 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7468 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7470 def do_get_outputs(self):
7471 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7472 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7474 def do_get_interactions(self):
7475 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7476 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7478 def do_optimize(self, ns):
7479 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7480 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7483 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7485 r"""Proxy of C++ IMP::ConfigurationSet class."""
7487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7489 def __init__(self, *args):
7490 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7491 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7493 def save_configuration(self):
7494 r"""save_configuration(ConfigurationSet self)"""
7495 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7497 def get_number_of_configurations(self):
7498 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7499 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7501 def load_configuration(self, i):
7502 r"""load_configuration(ConfigurationSet self, int i)"""
7503 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7505 def remove_configuration(self, i):
7506 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7507 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7509 def get_model(self):
7510 r"""get_model(ConfigurationSet self) -> Model"""
7511 return _IMP_kernel.ConfigurationSet_get_model(self)
7514 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7515 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7516 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7519 r"""__str__(ConfigurationSet self) -> std::string"""
7520 return _IMP_kernel.ConfigurationSet___str__(self)
7523 r"""__repr__(ConfigurationSet self) -> std::string"""
7524 return _IMP_kernel.ConfigurationSet___repr__(self)
7528 return _object_cast_to_ConfigurationSet(o)
7532 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7534 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7538 def __init__(self, cs):
7539 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7540 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7543 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7544 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7545 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7548 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7549 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7552 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7553 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7557 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7561 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7563 r"""Proxy of C++ IMP::Configuration class."""
7565 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7567 def __init__(self, *args):
7569 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7570 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7571 __init__(Configuration self) -> Configuration
7573 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7575 def load_configuration(self):
7576 r"""load_configuration(Configuration self)"""
7577 return _IMP_kernel.Configuration_load_configuration(self)
7579 def swap_configuration(self):
7580 r"""swap_configuration(Configuration self)"""
7581 return _IMP_kernel.Configuration_swap_configuration(self)
7584 r"""get_version_info(Configuration self) -> VersionInfo"""
7585 return _IMP_kernel.Configuration_get_version_info(self)
7586 __swig_destroy__ = _IMP_kernel.delete_Configuration
7589 r"""__str__(Configuration self) -> std::string"""
7590 return _IMP_kernel.Configuration___str__(self)
7593 r"""__repr__(Configuration self) -> std::string"""
7594 return _IMP_kernel.Configuration___repr__(self)
7598 return _object_cast_to_Configuration(o)
7601 def _get_as_binary(self):
7602 r"""_get_as_binary(Configuration self) -> PyObject *"""
7603 return _IMP_kernel.Configuration__get_as_binary(self)
7605 def _set_from_binary(self, p):
7606 r"""_set_from_binary(Configuration self, PyObject * p)"""
7607 return _IMP_kernel.Configuration__set_from_binary(self, p)
7609 def __getstate__(self):
7610 p = self._get_as_binary()
7611 if len(self.__dict__) > 1:
7612 d = self.__dict__.copy()
7617 def __setstate__(self, p):
7618 if not hasattr(self,
'this'):
7620 if isinstance(p, tuple):
7622 self.__dict__.update(d)
7623 return self._set_from_binary(p)
7627 _IMP_kernel.Configuration_swigregister(Configuration)
7629 r"""Proxy of C++ IMP::Sampler class."""
7631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7633 def __init__(self, *args):
7634 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7635 if self.__class__ == Sampler:
7639 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7641 if self.__class__ != Sampler:
7642 _director_objects.register(self)
7647 def create_sample(self):
7648 r"""create_sample(Sampler self) -> ConfigurationSet"""
7649 return _IMP_kernel.Sampler_create_sample(self)
7651 def get_scoring_function(self):
7652 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7653 return _IMP_kernel.Sampler_get_scoring_function(self)
7655 def set_scoring_function(self, sf):
7656 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7657 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7659 def get_model(self):
7660 r"""get_model(Sampler self) -> Model"""
7661 return _IMP_kernel.Sampler_get_model(self)
7663 def do_sample(self):
7664 r"""do_sample(Sampler self) -> ConfigurationSet"""
7665 return _IMP_kernel.Sampler_do_sample(self)
7666 __swig_destroy__ = _IMP_kernel.delete_Sampler
7669 r"""__str__(Sampler self) -> std::string"""
7670 return _IMP_kernel.Sampler___str__(self)
7673 r"""__repr__(Sampler self) -> std::string"""
7674 return _IMP_kernel.Sampler___repr__(self)
7678 return _object_cast_to_Sampler(o)
7681 def do_show(self, out):
7686 return _object_cast_to_Sampler(o)
7688 def __disown__(self):
7690 _IMP_kernel.disown_Sampler(self)
7691 return weakref.proxy(self)
7694 r"""do_destroy(Sampler self)"""
7695 return _IMP_kernel.Sampler_do_destroy(self)
7698 _IMP_kernel.Sampler_swigregister(Sampler)
7700 r"""Proxy of C++ IMP::PairModifier class."""
7702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7704 def __init__(self, *args):
7705 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7706 if self.__class__ == PairModifier:
7710 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7712 if self.__class__ != PairModifier:
7713 _director_objects.register(self)
7718 def apply_index(self, m, v):
7719 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7720 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7722 def apply_indexes(self, m, o, lower_bound, upper_bound):
7723 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7724 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7726 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7727 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)"""
7728 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7731 r"""__str__(PairModifier self) -> std::string"""
7732 return _IMP_kernel.PairModifier___str__(self)
7735 r"""__repr__(PairModifier self) -> std::string"""
7736 return _IMP_kernel.PairModifier___repr__(self)
7740 return _object_cast_to_PairModifier(o)
7743 def do_show(self, out):
7748 return _object_cast_to_PairModifier(o)
7750 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7751 def __disown__(self):
7753 _IMP_kernel.disown_PairModifier(self)
7754 return weakref.proxy(self)
7756 def do_get_inputs(self, m, pis):
7757 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7758 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7760 def do_get_outputs(self, m, pis):
7761 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7762 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7765 r"""do_destroy(PairModifier self)"""
7766 return _IMP_kernel.PairModifier_do_destroy(self)
7769 _IMP_kernel.PairModifier_swigregister(PairModifier)
7771 r"""Proxy of C++ IMP::PairScore class."""
7773 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7775 def __init__(self, *args):
7776 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7777 if self.__class__ == PairScore:
7781 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7783 if self.__class__ != PairScore:
7784 _director_objects.register(self)
7789 def evaluate_index(self, m, vt, da):
7790 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7791 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7793 def check_indexes(self, m, pis):
7794 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7795 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7797 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7798 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"""
7799 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7801 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7802 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"""
7803 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7805 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7806 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"""
7807 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7809 def evaluate_if_good_index(self, m, vt, da, max):
7810 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7811 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7813 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7814 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"""
7815 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7817 def create_current_decomposition(self, m, vt):
7818 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7819 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7821 def do_create_current_decomposition(self, m, vt):
7822 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7823 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7824 __swig_destroy__ = _IMP_kernel.delete_PairScore
7827 r"""__str__(PairScore self) -> std::string"""
7828 return _IMP_kernel.PairScore___str__(self)
7831 r"""__repr__(PairScore self) -> std::string"""
7832 return _IMP_kernel.PairScore___repr__(self)
7836 return _object_cast_to_PairScore(o)
7839 def do_show(self, out):
7844 return _object_cast_to_PairScore(o)
7847 def _wrap_jax(self, m, score_func, keys=None):
7848 """Create the return value for _get_jax.
7849 Use this method in _get_jax() to wrap the JAX scoring function
7850 with other score-specific information.
7852 @param m The IMP.Model that the score will act on.
7853 @param score_func A function implemented using JAX that takes
7854 one argument (the current JAX Model) and returns the total
7856 @param keys Model attributes used by the PairScore.
7857 See IMP::Restraint::_wrap_jax.
7859 from IMP._jax_util
import JAXScoreInfo
7860 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7862 def _get_jax(self, m, indexes, space):
7863 """Return a JAX implementation of this PairScore.
7864 Implement this method in a PairScore subclass to provide
7865 an equivalent function using [JAX](https://docs.jax.dev/)
7866 that scores the current JAX Model with a given set of
7867 ParticlePairIndexes. See also _wrap_jax.
7869 @param m The IMP.Model that the score will act on.
7870 @param indexes The ParticlePairIndexes that the score will act on.
7871 @param space The space in which the score is evaluated
7872 (e.g. a periodic box). See IMP._jax_util.Space.
7874 raise NotImplementedError(
7875 f
"No JAX implementation for {self} ({type(self)})")
7877 def __disown__(self):
7879 _IMP_kernel.disown_PairScore(self)
7880 return weakref.proxy(self)
7882 def do_get_inputs(self, m, pis):
7883 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7884 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7887 r"""do_destroy(PairScore self)"""
7888 return _IMP_kernel.PairScore_do_destroy(self)
7891 _IMP_kernel.PairScore_swigregister(PairScore)
7893 r"""Proxy of C++ IMP::PairPredicate class."""
7895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7897 def __init__(self, *args):
7898 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7899 if self.__class__ == PairPredicate:
7903 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7905 if self.__class__ != PairPredicate:
7906 _director_objects.register(self)
7911 def setup_for_get_value_index_in_batch(self, arg0):
7912 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7913 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7915 def get_value_index_in_batch(self, m, vt):
7916 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7917 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7919 def __call__(self, m, vt):
7920 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7921 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7923 def get_value_index(self, *args):
7925 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7926 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7928 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7929 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7932 r"""__str__(PairPredicate self) -> std::string"""
7933 return _IMP_kernel.PairPredicate___str__(self)
7936 r"""__repr__(PairPredicate self) -> std::string"""
7937 return _IMP_kernel.PairPredicate___repr__(self)
7941 return _object_cast_to_PairPredicate(o)
7944 def do_show(self, out):
7949 return _object_cast_to_PairPredicate(o)
7951 def __disown__(self):
7953 _IMP_kernel.disown_PairPredicate(self)
7954 return weakref.proxy(self)
7956 def do_get_inputs(self, m, pis):
7957 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7958 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7961 r"""do_destroy(PairPredicate self)"""
7962 return _IMP_kernel.PairPredicate_do_destroy(self)
7965 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7967 r"""Proxy of C++ IMP::PairContainer class."""
7969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7971 def apply_generic(self, m):
7972 r"""apply_generic(PairContainer self, PairModifier m)"""
7973 return _IMP_kernel.PairContainer_apply_generic(self, m)
7975 def apply_generic_moved(self, m, moved_pis, reset_pis):
7976 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7977 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7979 def apply(self, sm):
7980 r"""apply(PairContainer self, PairModifier sm)"""
7981 return _IMP_kernel.PairContainer_apply(self, sm)
7983 def apply_moved(self, sm, moved_pis, reset_pis):
7984 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7985 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7987 def get_range_indexes(self):
7988 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7989 return _IMP_kernel.PairContainer_get_range_indexes(self)
7991 def get_contents(self):
7992 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7993 return _IMP_kernel.PairContainer_get_contents(self)
7996 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7997 return _IMP_kernel.PairContainer_get_indexes(self)
7999 def get(self, *args):
8001 get(PairContainer self) -> IMP::ParticlePairsTemp
8002 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
8004 return _IMP_kernel.PairContainer_get(self, *args)
8006 def get_number(self):
8007 r"""get_number(PairContainer self) -> unsigned int"""
8008 return _IMP_kernel.PairContainer_get_number(self)
8010 def __init__(self, *args):
8012 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
8013 __init__(PairContainer self) -> PairContainer
8015 if self.__class__ == PairContainer:
8019 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
8021 if self.__class__ != PairContainer:
8022 _director_objects.register(self)
8027 def do_apply(self, sm):
8028 r"""do_apply(PairContainer self, PairModifier sm)"""
8029 return _IMP_kernel.PairContainer_do_apply(self, sm)
8031 def do_apply_moved(self, sm, moved_pis, reset_pis):
8032 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8033 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8035 def do_get_provides_access(self):
8036 r"""do_get_provides_access(PairContainer self) -> bool"""
8037 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8038 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8041 r"""__str__(PairContainer self) -> std::string"""
8042 return _IMP_kernel.PairContainer___str__(self)
8045 r"""__repr__(PairContainer self) -> std::string"""
8046 return _IMP_kernel.PairContainer___repr__(self)
8050 return _object_cast_to_PairContainer(o)
8053 def do_show(self, out):
8058 return _object_cast_to_PairContainer(o)
8060 def __disown__(self):
8062 _IMP_kernel.disown_PairContainer(self)
8063 return weakref.proxy(self)
8066 r"""do_destroy(PairContainer self)"""
8067 return _IMP_kernel.PairContainer_do_destroy(self)
8069 def handle_set_has_required_score_states(self, arg0):
8070 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8071 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8073 def do_get_inputs(self):
8074 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8075 return _IMP_kernel.PairContainer_do_get_inputs(self)
8077 def do_get_interactions(self):
8078 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8079 return _IMP_kernel.PairContainer_do_get_interactions(self)
8081 def do_get_contents_hash(self):
8082 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8083 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8086 _IMP_kernel.PairContainer_swigregister(PairContainer)
8087 class _PairContainerAdaptor(_InputAdaptor):
8088 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8090 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8091 __repr__ = _swig_repr
8093 def __init__(self, *args):
8095 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8096 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8097 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8099 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8101 def set_name_if_default(self, name):
8102 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8103 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8104 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8107 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8109 r"""Proxy of C++ IMP::QuadModifier class."""
8111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8113 def __init__(self, *args):
8114 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8115 if self.__class__ == QuadModifier:
8119 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8121 if self.__class__ != QuadModifier:
8122 _director_objects.register(self)
8127 def apply_index(self, m, v):
8128 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8129 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8131 def apply_indexes(self, m, o, lower_bound, upper_bound):
8132 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8133 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8135 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8136 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)"""
8137 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8140 r"""__str__(QuadModifier self) -> std::string"""
8141 return _IMP_kernel.QuadModifier___str__(self)
8144 r"""__repr__(QuadModifier self) -> std::string"""
8145 return _IMP_kernel.QuadModifier___repr__(self)
8149 return _object_cast_to_QuadModifier(o)
8152 def do_show(self, out):
8157 return _object_cast_to_QuadModifier(o)
8159 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8160 def __disown__(self):
8162 _IMP_kernel.disown_QuadModifier(self)
8163 return weakref.proxy(self)
8165 def do_get_inputs(self, m, pis):
8166 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8167 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8169 def do_get_outputs(self, m, pis):
8170 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8171 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8174 r"""do_destroy(QuadModifier self)"""
8175 return _IMP_kernel.QuadModifier_do_destroy(self)
8178 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8180 r"""Proxy of C++ IMP::QuadScore class."""
8182 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8184 def __init__(self, *args):
8185 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8186 if self.__class__ == QuadScore:
8190 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8192 if self.__class__ != QuadScore:
8193 _director_objects.register(self)
8198 def evaluate_index(self, m, vt, da):
8199 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8200 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8202 def check_indexes(self, m, pis):
8203 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8204 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8206 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8207 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"""
8208 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8210 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8211 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"""
8212 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8214 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8215 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"""
8216 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8218 def evaluate_if_good_index(self, m, vt, da, max):
8219 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8220 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8222 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8223 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"""
8224 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8226 def create_current_decomposition(self, m, vt):
8227 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8228 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8230 def do_create_current_decomposition(self, m, vt):
8231 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8232 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8233 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8236 r"""__str__(QuadScore self) -> std::string"""
8237 return _IMP_kernel.QuadScore___str__(self)
8240 r"""__repr__(QuadScore self) -> std::string"""
8241 return _IMP_kernel.QuadScore___repr__(self)
8245 return _object_cast_to_QuadScore(o)
8248 def do_show(self, out):
8253 return _object_cast_to_QuadScore(o)
8255 def __disown__(self):
8257 _IMP_kernel.disown_QuadScore(self)
8258 return weakref.proxy(self)
8260 def do_get_inputs(self, m, pis):
8261 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8262 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8265 r"""do_destroy(QuadScore self)"""
8266 return _IMP_kernel.QuadScore_do_destroy(self)
8269 _IMP_kernel.QuadScore_swigregister(QuadScore)
8271 r"""Proxy of C++ IMP::QuadPredicate class."""
8273 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8275 def __init__(self, *args):
8276 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8277 if self.__class__ == QuadPredicate:
8281 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8283 if self.__class__ != QuadPredicate:
8284 _director_objects.register(self)
8289 def setup_for_get_value_index_in_batch(self, arg0):
8290 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8291 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8293 def get_value_index_in_batch(self, m, vt):
8294 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8295 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8297 def __call__(self, m, vt):
8298 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8299 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8301 def get_value_index(self, *args):
8303 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8304 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8306 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8307 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8310 r"""__str__(QuadPredicate self) -> std::string"""
8311 return _IMP_kernel.QuadPredicate___str__(self)
8314 r"""__repr__(QuadPredicate self) -> std::string"""
8315 return _IMP_kernel.QuadPredicate___repr__(self)
8319 return _object_cast_to_QuadPredicate(o)
8322 def do_show(self, out):
8327 return _object_cast_to_QuadPredicate(o)
8329 def __disown__(self):
8331 _IMP_kernel.disown_QuadPredicate(self)
8332 return weakref.proxy(self)
8334 def do_get_inputs(self, m, pis):
8335 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8336 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8339 r"""do_destroy(QuadPredicate self)"""
8340 return _IMP_kernel.QuadPredicate_do_destroy(self)
8343 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8345 r"""Proxy of C++ IMP::QuadContainer class."""
8347 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8349 def apply_generic(self, m):
8350 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8351 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8353 def apply_generic_moved(self, m, moved_pis, reset_pis):
8354 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8355 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8357 def apply(self, sm):
8358 r"""apply(QuadContainer self, QuadModifier sm)"""
8359 return _IMP_kernel.QuadContainer_apply(self, sm)
8361 def apply_moved(self, sm, moved_pis, reset_pis):
8362 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8363 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8365 def get_range_indexes(self):
8366 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8367 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8369 def get_contents(self):
8370 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8371 return _IMP_kernel.QuadContainer_get_contents(self)
8374 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8375 return _IMP_kernel.QuadContainer_get_indexes(self)
8377 def get(self, *args):
8379 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8380 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8382 return _IMP_kernel.QuadContainer_get(self, *args)
8384 def get_number(self):
8385 r"""get_number(QuadContainer self) -> unsigned int"""
8386 return _IMP_kernel.QuadContainer_get_number(self)
8388 def __init__(self, *args):
8390 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8391 __init__(QuadContainer self) -> QuadContainer
8393 if self.__class__ == QuadContainer:
8397 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8399 if self.__class__ != QuadContainer:
8400 _director_objects.register(self)
8405 def do_apply(self, sm):
8406 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8407 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8409 def do_apply_moved(self, sm, moved_pis, reset_pis):
8410 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8411 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8413 def do_get_provides_access(self):
8414 r"""do_get_provides_access(QuadContainer self) -> bool"""
8415 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8416 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8419 r"""__str__(QuadContainer self) -> std::string"""
8420 return _IMP_kernel.QuadContainer___str__(self)
8423 r"""__repr__(QuadContainer self) -> std::string"""
8424 return _IMP_kernel.QuadContainer___repr__(self)
8428 return _object_cast_to_QuadContainer(o)
8431 def do_show(self, out):
8436 return _object_cast_to_QuadContainer(o)
8438 def __disown__(self):
8440 _IMP_kernel.disown_QuadContainer(self)
8441 return weakref.proxy(self)
8444 r"""do_destroy(QuadContainer self)"""
8445 return _IMP_kernel.QuadContainer_do_destroy(self)
8447 def handle_set_has_required_score_states(self, arg0):
8448 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8449 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8451 def do_get_inputs(self):
8452 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8453 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8455 def do_get_interactions(self):
8456 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8457 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8459 def do_get_contents_hash(self):
8460 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8461 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8464 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8465 class _QuadContainerAdaptor(_InputAdaptor):
8466 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8468 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8469 __repr__ = _swig_repr
8471 def __init__(self, *args):
8473 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8474 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8475 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8477 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8479 def set_name_if_default(self, name):
8480 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8481 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8482 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8485 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8487 r"""Proxy of C++ IMP::SingletonModifier class."""
8489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8491 def __init__(self, *args):
8492 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8493 if self.__class__ == SingletonModifier:
8497 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8499 if self.__class__ != SingletonModifier:
8500 _director_objects.register(self)
8505 def apply_index(self, m, v):
8506 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8507 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8509 def apply_indexes(self, m, o, lower_bound, upper_bound):
8510 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8511 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8513 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8514 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)"""
8515 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8518 r"""__str__(SingletonModifier self) -> std::string"""
8519 return _IMP_kernel.SingletonModifier___str__(self)
8522 r"""__repr__(SingletonModifier self) -> std::string"""
8523 return _IMP_kernel.SingletonModifier___repr__(self)
8527 return _object_cast_to_SingletonModifier(o)
8530 def do_show(self, out):
8535 return _object_cast_to_SingletonModifier(o)
8538 def _wrap_jax(self, apply_func, keys=None):
8539 """Create the return value for _get_jax.
8540 Use this method in _get_jax() to wrap the JAX function
8541 with other modifier-specific information.
8543 @param apply_func A function implemented using JAX that takes
8544 one argument (the current JAX Model) and returns a new
8546 @param keys Model attributes used by the SingletonModifier.
8547 See IMP::Restraint::_wrap_jax.
8549 from IMP._jax_util
import JAXModifierInfo
8550 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8552 def _get_jax(self, m, indexes):
8553 """Return a JAX implementation of this SingletonModifier.
8554 Implement this method in a SingletonModifier subclass to provide
8555 an equivalent function using [JAX](https://docs.jax.dev/)
8556 that modifies the current JAX Model. See also _wrap_jax.
8558 @param m The IMP.Model that the modifier will act on.
8559 @param indexes The ParticleIndexes that the modifier will act on.
8561 raise NotImplementedError(
8562 f
"No JAX implementation for {self} ({type(self)})")
8564 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8565 def __disown__(self):
8567 _IMP_kernel.disown_SingletonModifier(self)
8568 return weakref.proxy(self)
8570 def do_get_inputs(self, m, pis):
8571 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8572 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8574 def do_get_outputs(self, m, pis):
8575 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8576 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8579 r"""do_destroy(SingletonModifier self)"""
8580 return _IMP_kernel.SingletonModifier_do_destroy(self)
8583 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8585 r"""Proxy of C++ IMP::SingletonScore class."""
8587 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8589 def __init__(self, *args):
8590 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8591 if self.__class__ == SingletonScore:
8595 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8597 if self.__class__ != SingletonScore:
8598 _director_objects.register(self)
8603 def evaluate_index(self, m, vt, da):
8604 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8605 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8607 def check_indexes(self, m, pis):
8608 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8609 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8611 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8612 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"""
8613 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8615 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8616 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"""
8617 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8619 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8620 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"""
8621 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8623 def evaluate_if_good_index(self, m, vt, da, max):
8624 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8625 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8627 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8628 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"""
8629 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8631 def create_current_decomposition(self, m, vt):
8632 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8633 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8635 def do_create_current_decomposition(self, m, vt):
8636 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8637 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8638 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8641 r"""__str__(SingletonScore self) -> std::string"""
8642 return _IMP_kernel.SingletonScore___str__(self)
8645 r"""__repr__(SingletonScore self) -> std::string"""
8646 return _IMP_kernel.SingletonScore___repr__(self)
8650 return _object_cast_to_SingletonScore(o)
8653 def do_show(self, out):
8658 return _object_cast_to_SingletonScore(o)
8661 def _wrap_jax(self, m, score_func, keys=None):
8662 """See IMP::PairScore::_wrap_jax"""
8663 from IMP._jax_util
import JAXScoreInfo
8664 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8666 def _get_jax(self, m, indexes, space):
8667 """See IMP::PairScore::_get_jax"""
8668 raise NotImplementedError(
8669 f
"No JAX implementation for {self} ({type(self)})")
8671 def __disown__(self):
8673 _IMP_kernel.disown_SingletonScore(self)
8674 return weakref.proxy(self)
8676 def do_get_inputs(self, m, pis):
8677 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8678 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8681 r"""do_destroy(SingletonScore self)"""
8682 return _IMP_kernel.SingletonScore_do_destroy(self)
8685 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8687 r"""Proxy of C++ IMP::SingletonPredicate class."""
8689 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8691 def __init__(self, *args):
8692 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8693 if self.__class__ == SingletonPredicate:
8697 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8699 if self.__class__ != SingletonPredicate:
8700 _director_objects.register(self)
8705 def setup_for_get_value_index_in_batch(self, arg0):
8706 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8707 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8709 def get_value_index_in_batch(self, m, vt):
8710 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8711 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8713 def __call__(self, m, vt):
8714 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8715 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8717 def get_value_index(self, *args):
8719 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8720 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8722 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8723 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8726 r"""__str__(SingletonPredicate self) -> std::string"""
8727 return _IMP_kernel.SingletonPredicate___str__(self)
8730 r"""__repr__(SingletonPredicate self) -> std::string"""
8731 return _IMP_kernel.SingletonPredicate___repr__(self)
8735 return _object_cast_to_SingletonPredicate(o)
8738 def do_show(self, out):
8743 return _object_cast_to_SingletonPredicate(o)
8745 def __disown__(self):
8747 _IMP_kernel.disown_SingletonPredicate(self)
8748 return weakref.proxy(self)
8750 def do_get_inputs(self, m, pis):
8751 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8752 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8755 r"""do_destroy(SingletonPredicate self)"""
8756 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8759 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8761 r"""Proxy of C++ IMP::SingletonContainer class."""
8763 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8765 def apply_generic(self, m):
8766 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8767 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8769 def apply_generic_moved(self, m, moved_pis, reset_pis):
8770 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8771 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8773 def apply(self, sm):
8774 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8775 return _IMP_kernel.SingletonContainer_apply(self, sm)
8777 def apply_moved(self, sm, moved_pis, reset_pis):
8778 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8779 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8781 def get_range_indexes(self):
8782 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8783 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8785 def get_contents(self):
8786 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8787 return _IMP_kernel.SingletonContainer_get_contents(self)
8790 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8791 return _IMP_kernel.SingletonContainer_get_indexes(self)
8793 def get(self, *args):
8795 get(SingletonContainer self) -> IMP::ParticlesTemp
8796 get(SingletonContainer self, unsigned int i) -> Particle
8798 return _IMP_kernel.SingletonContainer_get(self, *args)
8800 def get_number(self):
8801 r"""get_number(SingletonContainer self) -> unsigned int"""
8802 return _IMP_kernel.SingletonContainer_get_number(self)
8804 def __init__(self, *args):
8806 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8807 __init__(SingletonContainer self) -> SingletonContainer
8809 if self.__class__ == SingletonContainer:
8813 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8815 if self.__class__ != SingletonContainer:
8816 _director_objects.register(self)
8821 def do_apply(self, sm):
8822 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8823 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8825 def do_apply_moved(self, sm, moved_pis, reset_pis):
8826 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8827 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8829 def do_get_provides_access(self):
8830 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8831 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8832 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8835 r"""__str__(SingletonContainer self) -> std::string"""
8836 return _IMP_kernel.SingletonContainer___str__(self)
8839 r"""__repr__(SingletonContainer self) -> std::string"""
8840 return _IMP_kernel.SingletonContainer___repr__(self)
8844 return _object_cast_to_SingletonContainer(o)
8847 def do_show(self, out):
8852 return _object_cast_to_SingletonContainer(o)
8854 def __disown__(self):
8856 _IMP_kernel.disown_SingletonContainer(self)
8857 return weakref.proxy(self)
8860 r"""do_destroy(SingletonContainer self)"""
8861 return _IMP_kernel.SingletonContainer_do_destroy(self)
8863 def handle_set_has_required_score_states(self, arg0):
8864 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8865 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8867 def do_get_inputs(self):
8868 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8869 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8871 def do_get_interactions(self):
8872 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8873 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8875 def do_get_contents_hash(self):
8876 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8877 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8880 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8881 class _SingletonContainerAdaptor(_InputAdaptor):
8882 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8885 __repr__ = _swig_repr
8887 def __init__(self, *args):
8889 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8890 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8891 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8893 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8895 def set_name_if_default(self, name):
8896 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8897 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8898 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8901 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8903 r"""Proxy of C++ IMP::TripletModifier class."""
8905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8907 def __init__(self, *args):
8908 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8909 if self.__class__ == TripletModifier:
8913 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8915 if self.__class__ != TripletModifier:
8916 _director_objects.register(self)
8921 def apply_index(self, m, v):
8922 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8923 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8925 def apply_indexes(self, m, o, lower_bound, upper_bound):
8926 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8927 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8929 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8930 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)"""
8931 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8934 r"""__str__(TripletModifier self) -> std::string"""
8935 return _IMP_kernel.TripletModifier___str__(self)
8938 r"""__repr__(TripletModifier self) -> std::string"""
8939 return _IMP_kernel.TripletModifier___repr__(self)
8943 return _object_cast_to_TripletModifier(o)
8946 def do_show(self, out):
8951 return _object_cast_to_TripletModifier(o)
8953 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8954 def __disown__(self):
8956 _IMP_kernel.disown_TripletModifier(self)
8957 return weakref.proxy(self)
8959 def do_get_inputs(self, m, pis):
8960 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8961 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8963 def do_get_outputs(self, m, pis):
8964 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8965 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8968 r"""do_destroy(TripletModifier self)"""
8969 return _IMP_kernel.TripletModifier_do_destroy(self)
8972 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8974 r"""Proxy of C++ IMP::TripletScore class."""
8976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8978 def __init__(self, *args):
8979 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8980 if self.__class__ == TripletScore:
8984 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8986 if self.__class__ != TripletScore:
8987 _director_objects.register(self)
8992 def evaluate_index(self, m, vt, da):
8993 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8994 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8996 def check_indexes(self, m, pis):
8997 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8998 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
9000 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
9001 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"""
9002 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
9004 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9005 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"""
9006 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
9008 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
9009 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"""
9010 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
9012 def evaluate_if_good_index(self, m, vt, da, max):
9013 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
9014 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
9016 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9017 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"""
9018 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
9020 def create_current_decomposition(self, m, vt):
9021 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9022 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
9024 def do_create_current_decomposition(self, m, vt):
9025 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9026 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
9027 __swig_destroy__ = _IMP_kernel.delete_TripletScore
9030 r"""__str__(TripletScore self) -> std::string"""
9031 return _IMP_kernel.TripletScore___str__(self)
9034 r"""__repr__(TripletScore self) -> std::string"""
9035 return _IMP_kernel.TripletScore___repr__(self)
9039 return _object_cast_to_TripletScore(o)
9042 def do_show(self, out):
9047 return _object_cast_to_TripletScore(o)
9049 def __disown__(self):
9051 _IMP_kernel.disown_TripletScore(self)
9052 return weakref.proxy(self)
9054 def do_get_inputs(self, m, pis):
9055 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9056 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9059 r"""do_destroy(TripletScore self)"""
9060 return _IMP_kernel.TripletScore_do_destroy(self)
9063 _IMP_kernel.TripletScore_swigregister(TripletScore)
9065 r"""Proxy of C++ IMP::TripletPredicate class."""
9067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9069 def __init__(self, *args):
9070 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9071 if self.__class__ == TripletPredicate:
9075 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9077 if self.__class__ != TripletPredicate:
9078 _director_objects.register(self)
9083 def setup_for_get_value_index_in_batch(self, arg0):
9084 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9085 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9087 def get_value_index_in_batch(self, m, vt):
9088 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9089 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9091 def __call__(self, m, vt):
9092 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9093 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9095 def get_value_index(self, *args):
9097 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9098 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9100 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9101 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9104 r"""__str__(TripletPredicate self) -> std::string"""
9105 return _IMP_kernel.TripletPredicate___str__(self)
9108 r"""__repr__(TripletPredicate self) -> std::string"""
9109 return _IMP_kernel.TripletPredicate___repr__(self)
9113 return _object_cast_to_TripletPredicate(o)
9116 def do_show(self, out):
9121 return _object_cast_to_TripletPredicate(o)
9123 def __disown__(self):
9125 _IMP_kernel.disown_TripletPredicate(self)
9126 return weakref.proxy(self)
9128 def do_get_inputs(self, m, pis):
9129 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9130 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9133 r"""do_destroy(TripletPredicate self)"""
9134 return _IMP_kernel.TripletPredicate_do_destroy(self)
9137 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9139 r"""Proxy of C++ IMP::TripletContainer class."""
9141 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9143 def apply_generic(self, m):
9144 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9145 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9147 def apply_generic_moved(self, m, moved_pis, reset_pis):
9148 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9149 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9151 def apply(self, sm):
9152 r"""apply(TripletContainer self, TripletModifier sm)"""
9153 return _IMP_kernel.TripletContainer_apply(self, sm)
9155 def apply_moved(self, sm, moved_pis, reset_pis):
9156 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9157 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9159 def get_range_indexes(self):
9160 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9161 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9163 def get_contents(self):
9164 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9165 return _IMP_kernel.TripletContainer_get_contents(self)
9168 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9169 return _IMP_kernel.TripletContainer_get_indexes(self)
9171 def get(self, *args):
9173 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9174 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9176 return _IMP_kernel.TripletContainer_get(self, *args)
9178 def get_number(self):
9179 r"""get_number(TripletContainer self) -> unsigned int"""
9180 return _IMP_kernel.TripletContainer_get_number(self)
9182 def __init__(self, *args):
9184 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9185 __init__(TripletContainer self) -> TripletContainer
9187 if self.__class__ == TripletContainer:
9191 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9193 if self.__class__ != TripletContainer:
9194 _director_objects.register(self)
9199 def do_apply(self, sm):
9200 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9201 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9203 def do_apply_moved(self, sm, moved_pis, reset_pis):
9204 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9205 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9207 def do_get_provides_access(self):
9208 r"""do_get_provides_access(TripletContainer self) -> bool"""
9209 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9210 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9213 r"""__str__(TripletContainer self) -> std::string"""
9214 return _IMP_kernel.TripletContainer___str__(self)
9217 r"""__repr__(TripletContainer self) -> std::string"""
9218 return _IMP_kernel.TripletContainer___repr__(self)
9222 return _object_cast_to_TripletContainer(o)
9225 def do_show(self, out):
9230 return _object_cast_to_TripletContainer(o)
9232 def __disown__(self):
9234 _IMP_kernel.disown_TripletContainer(self)
9235 return weakref.proxy(self)
9238 r"""do_destroy(TripletContainer self)"""
9239 return _IMP_kernel.TripletContainer_do_destroy(self)
9241 def handle_set_has_required_score_states(self, arg0):
9242 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9243 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9245 def do_get_inputs(self):
9246 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9247 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9249 def do_get_interactions(self):
9250 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9251 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9253 def do_get_contents_hash(self):
9254 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9255 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9258 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9259 class _TripletContainerAdaptor(_InputAdaptor):
9260 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9263 __repr__ = _swig_repr
9265 def __init__(self, *args):
9267 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9268 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9269 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9271 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9273 def set_name_if_default(self, name):
9274 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9275 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9276 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9279 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9282 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9283 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9286 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9287 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9290 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9291 return _IMP_kernel.get_particles(m, ps)
9295 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9296 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9298 return _IMP_kernel.get_indexes(*args)
9299 class _ParticleIndexAdaptor(object):
9300 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9303 __repr__ = _swig_repr
9305 def __init__(self, *args):
9307 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9308 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9309 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9311 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9312 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9315 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9316 class _ParticleIndexesAdaptor(_InputAdaptor):
9317 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9320 __repr__ = _swig_repr
9322 def __init__(self, *args):
9324 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9325 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9326 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9328 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9329 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9332 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9333 class _ParticleIndexPairsAdaptor(object):
9334 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9337 __repr__ = _swig_repr
9339 def __init__(self, *args):
9341 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9342 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9343 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9345 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9346 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9349 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9351 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9353 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9355 def __init__(self, *args):
9357 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9358 __init__(_ConstRestraint self) -> _ConstRestraint
9360 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9362 def get_value(self):
9363 r"""get_value(_ConstRestraint self) -> double"""
9364 return _IMP_kernel._ConstRestraint_get_value(self)
9366 def do_create_decomposition(self):
9367 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9368 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9370 def do_get_inputs(self):
9371 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9372 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9375 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9376 return _IMP_kernel._ConstRestraint_get_version_info(self)
9377 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9380 r"""__str__(_ConstRestraint self) -> std::string"""
9381 return _IMP_kernel._ConstRestraint___str__(self)
9384 r"""__repr__(_ConstRestraint self) -> std::string"""
9385 return _IMP_kernel._ConstRestraint___repr__(self)
9389 return _object_cast_to__ConstRestraint(o)
9392 def _get_as_binary(self):
9393 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9394 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9396 def _set_from_binary(self, p):
9397 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9398 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9400 def __getstate__(self):
9401 p = self._get_as_binary()
9402 if len(self.__dict__) > 1:
9403 d = self.__dict__.copy()
9408 def __setstate__(self, p):
9409 if not hasattr(self,
'this'):
9411 if isinstance(p, tuple):
9413 self.__dict__.update(d)
9414 return self._set_from_binary(p)
9417 def _get_jax(self, space):
9418 value = self.get_value()
9420 return self._wrap_jax(
lambda jm: value)
9424 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9426 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9430 def __init__(self, *args):
9432 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9433 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9435 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9437 def get_value(self):
9438 r"""get_value(_ConstSingletonScore self) -> double"""
9439 return _IMP_kernel._ConstSingletonScore_get_value(self)
9441 def do_get_inputs(self, arg2, arg3):
9442 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9443 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9445 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9446 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"""
9447 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9449 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9450 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"""
9451 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9453 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9454 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"""
9455 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9457 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9458 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"""
9459 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9462 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9463 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9464 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9467 r"""__str__(_ConstSingletonScore self) -> std::string"""
9468 return _IMP_kernel._ConstSingletonScore___str__(self)
9471 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9472 return _IMP_kernel._ConstSingletonScore___repr__(self)
9476 return _object_cast_to__ConstSingletonScore(o)
9479 def _get_as_binary(self):
9480 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9481 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9483 def _set_from_binary(self, p):
9484 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9485 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9487 def __getstate__(self):
9488 p = self._get_as_binary()
9489 if len(self.__dict__) > 1:
9490 d = self.__dict__.copy()
9495 def __setstate__(self, p):
9496 if not hasattr(self,
'this'):
9498 if isinstance(p, tuple):
9500 self.__dict__.update(d)
9501 return self._set_from_binary(p)
9504 def _get_jax(self, m, indexes, space):
9505 value = self.get_value()
9507 return self._wrap_jax(m,
lambda jm: value)
9511 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9513 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9515 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9517 def __init__(self, *args):
9519 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9520 __init__(_ConstPairScore self) -> _ConstPairScore
9522 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9524 def get_value(self):
9525 r"""get_value(_ConstPairScore self) -> double"""
9526 return _IMP_kernel._ConstPairScore_get_value(self)
9528 def do_get_inputs(self, arg2, arg3):
9529 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9530 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9532 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9533 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"""
9534 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9536 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9537 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"""
9538 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9540 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9541 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"""
9542 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9544 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9545 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"""
9546 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9549 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9550 return _IMP_kernel._ConstPairScore_get_version_info(self)
9551 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9554 r"""__str__(_ConstPairScore self) -> std::string"""
9555 return _IMP_kernel._ConstPairScore___str__(self)
9558 r"""__repr__(_ConstPairScore self) -> std::string"""
9559 return _IMP_kernel._ConstPairScore___repr__(self)
9563 return _object_cast_to__ConstPairScore(o)
9566 def _get_as_binary(self):
9567 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9568 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9570 def _set_from_binary(self, p):
9571 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9572 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9574 def __getstate__(self):
9575 p = self._get_as_binary()
9576 if len(self.__dict__) > 1:
9577 d = self.__dict__.copy()
9582 def __setstate__(self, p):
9583 if not hasattr(self,
'this'):
9585 if isinstance(p, tuple):
9587 self.__dict__.update(d)
9588 return self._set_from_binary(p)
9591 def _get_jax(self, m, indexes, space):
9592 value = self.get_value()
9594 return self._wrap_jax(m,
lambda jm: value)
9598 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9600 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9602 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9604 def __init__(self, *args):
9606 __init__(_TrivialDecorator self) -> _TrivialDecorator
9607 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9608 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9610 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9612 def show(self, *args):
9613 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9614 return _IMP_kernel._TrivialDecorator_show(self, *args)
9617 def setup_particle(*args):
9619 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9620 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9622 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9625 def get_is_setup(*args):
9627 get_is_setup(_ParticleAdaptor p) -> bool
9628 get_is_setup(Model m, ParticleIndex pi) -> bool
9630 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9634 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9635 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9636 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9637 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9638 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9639 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9640 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9641 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9642 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9643 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9644 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9645 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9647 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9649 def get_value(self, *args):
9651 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9652 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9653 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9654 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9655 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9656 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9657 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9658 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9659 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9660 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9661 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9663 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9665 def set_value(self, *args):
9667 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9668 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9669 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9670 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9671 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9672 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9673 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9674 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9675 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9676 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9677 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9679 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9683 remove_attribute(_TrivialDecorator self, FloatKey a0)
9684 remove_attribute(_TrivialDecorator self, IntKey a0)
9685 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9686 remove_attribute(_TrivialDecorator self, IntsKey a0)
9687 remove_attribute(_TrivialDecorator self, StringKey a0)
9688 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9689 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9690 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9691 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9692 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9693 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9695 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9697 def has_attribute(self, *args):
9699 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9700 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9701 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9702 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9703 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9704 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9705 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9706 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9707 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9708 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9709 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9711 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9713 def get_derivative(self, a0):
9714 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9715 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9718 r"""get_name(_TrivialDecorator self) -> std::string"""
9719 return _IMP_kernel._TrivialDecorator_get_name(self)
9722 r"""clear_caches(_TrivialDecorator self)"""
9723 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9725 def set_name(self, a0):
9726 r"""set_name(_TrivialDecorator self, std::string a0)"""
9727 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9730 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9731 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9733 def add_to_derivative(self, a0, a1, a2):
9734 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9735 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9738 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9739 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9741 def get_is_optimized(self, a0):
9742 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9743 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9745 def get_check_level(self):
9746 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9747 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9749 def __eq__(self, *args):
9751 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9752 __eq__(_TrivialDecorator self, Particle d) -> bool
9754 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9756 def __ne__(self, *args):
9758 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9759 __ne__(_TrivialDecorator self, Particle d) -> bool
9761 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9763 def __le__(self, *args):
9765 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9766 __le__(_TrivialDecorator self, Particle d) -> bool
9768 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9770 def __lt__(self, *args):
9772 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9773 __lt__(_TrivialDecorator self, Particle d) -> bool
9775 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9777 def __ge__(self, *args):
9779 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9780 __ge__(_TrivialDecorator self, Particle d) -> bool
9782 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9784 def __gt__(self, *args):
9786 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9787 __gt__(_TrivialDecorator self, Particle d) -> bool
9789 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9792 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9793 return _IMP_kernel._TrivialDecorator___hash__(self)
9796 r"""__str__(_TrivialDecorator self) -> std::string"""
9797 return _IMP_kernel._TrivialDecorator___str__(self)
9800 r"""__repr__(_TrivialDecorator self) -> std::string"""
9801 return _IMP_kernel._TrivialDecorator___repr__(self)
9803 def _get_as_binary(self):
9804 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9805 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9807 def _set_from_binary(self, p):
9808 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9809 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9811 def __getstate__(self):
9812 p = self._get_as_binary()
9813 if len(self.__dict__) > 1:
9814 d = self.__dict__.copy()
9819 def __setstate__(self, p):
9820 if not hasattr(self,
'this'):
9822 if isinstance(p, tuple):
9824 self.__dict__.update(d)
9825 return self._set_from_binary(p)
9827 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9830 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9831 class _TrivialDerivedDecorator(_TrivialDecorator):
9832 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9836 def __init__(self, *args):
9838 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9839 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9840 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9842 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9844 def show(self, *args):
9845 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9846 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9849 def setup_particle(*args):
9851 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9852 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9854 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9857 def get_is_setup(*args):
9859 get_is_setup(_ParticleAdaptor p) -> bool
9860 get_is_setup(Model m, ParticleIndex pi) -> bool
9862 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9866 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9867 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9868 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9869 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9870 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9871 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9872 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9873 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9874 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9875 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9876 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9877 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9879 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9881 def get_value(self, *args):
9883 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9884 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9885 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9886 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9887 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9888 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9889 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9890 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9891 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9892 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9893 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9895 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9897 def set_value(self, *args):
9899 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9900 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9901 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9902 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9903 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9904 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9905 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9906 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9907 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9908 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9909 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9911 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9915 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9916 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9917 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9918 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9919 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9920 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9921 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9922 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9923 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9924 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9925 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9927 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9929 def has_attribute(self, *args):
9931 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9932 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9933 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9934 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9935 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9936 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9937 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9938 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9939 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9940 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9941 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9943 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9945 def get_derivative(self, a0):
9946 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9947 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9950 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9951 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9954 r"""clear_caches(_TrivialDerivedDecorator self)"""
9955 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9957 def set_name(self, a0):
9958 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9959 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9962 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9963 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9965 def add_to_derivative(self, a0, a1, a2):
9966 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9967 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9970 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9971 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9973 def get_is_optimized(self, a0):
9974 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9975 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9977 def get_check_level(self):
9978 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9979 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9981 def __eq__(self, *args):
9983 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9984 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9986 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9988 def __ne__(self, *args):
9990 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9991 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9993 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9995 def __le__(self, *args):
9997 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9998 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
10000 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
10002 def __lt__(self, *args):
10004 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10005 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
10007 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
10009 def __ge__(self, *args):
10011 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10012 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
10014 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
10016 def __gt__(self, *args):
10018 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10019 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
10021 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
10023 def __hash__(self):
10024 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
10025 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
10028 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
10029 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
10031 def __repr__(self):
10032 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
10033 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
10035 def _get_as_binary(self):
10036 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10037 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10039 def _set_from_binary(self, p):
10040 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10041 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10043 def __getstate__(self):
10044 p = self._get_as_binary()
10045 if len(self.__dict__) > 1:
10046 d = self.__dict__.copy()
10051 def __setstate__(self, p):
10052 if not hasattr(self,
'this'):
10054 if isinstance(p, tuple):
10056 self.__dict__.update(d)
10057 return self._set_from_binary(p)
10059 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10062 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10063 class _TrivialTraitsDecorator(
Decorator):
10064 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10066 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10068 def get_decorator_traits(self):
10069 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10070 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10073 def get_default_decorator_traits():
10074 r"""get_default_decorator_traits() -> StringKey"""
10075 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10077 def __init__(self, *args):
10079 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10080 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10081 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10083 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10085 def show(self, *args):
10086 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10087 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10090 def setup_particle(*args):
10092 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10093 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10095 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10098 def get_is_setup(*args):
10100 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10101 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10103 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10106 def get_default_key():
10107 r"""get_default_key() -> StringKey"""
10108 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10112 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10113 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10114 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10115 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10116 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10117 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10118 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10119 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10120 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10121 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10122 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10123 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10125 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10127 def get_value(self, *args):
10129 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10130 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10131 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10132 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10133 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10134 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10135 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10136 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10137 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10138 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10139 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10141 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10143 def set_value(self, *args):
10145 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10146 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10147 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10148 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10149 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10150 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10151 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10152 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10153 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10154 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10155 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10157 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10161 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10162 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10163 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10164 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10165 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10166 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10167 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10168 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10169 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10170 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10171 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10173 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10175 def has_attribute(self, *args):
10177 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10178 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10179 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10180 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10181 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10182 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10183 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10184 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10185 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10186 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10187 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10189 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10191 def get_derivative(self, a0):
10192 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10193 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10195 def get_name(self):
10196 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10197 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10200 r"""clear_caches(_TrivialTraitsDecorator self)"""
10201 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10203 def set_name(self, a0):
10204 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10205 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10208 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10209 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10211 def add_to_derivative(self, a0, a1, a2):
10212 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10213 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10216 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10217 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10219 def get_is_optimized(self, a0):
10220 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10221 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10223 def get_check_level(self):
10224 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10225 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10227 def __eq__(self, *args):
10229 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10230 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10232 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10234 def __ne__(self, *args):
10236 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10237 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10239 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10241 def __le__(self, *args):
10243 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10244 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10246 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10248 def __lt__(self, *args):
10250 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10251 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10253 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10255 def __ge__(self, *args):
10257 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10258 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10260 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10262 def __gt__(self, *args):
10264 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10265 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10267 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10269 def __hash__(self):
10270 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10271 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10274 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10275 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10277 def __repr__(self):
10278 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10279 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10280 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10283 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10285 def __lshift__(*args):
10287 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10288 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10289 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10291 return _IMP_kernel.__lshift__(*args)
10293 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10295 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10297 def __init__(self, *args):
10299 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10300 __init__(_ConstOptimizer self) -> _ConstOptimizer
10302 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10304 def do_optimize(self, max_steps):
10305 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10306 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10309 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10310 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10311 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10314 r"""__str__(_ConstOptimizer self) -> std::string"""
10315 return _IMP_kernel._ConstOptimizer___str__(self)
10317 def __repr__(self):
10318 r"""__repr__(_ConstOptimizer self) -> std::string"""
10319 return _IMP_kernel._ConstOptimizer___repr__(self)
10323 return _object_cast_to__ConstOptimizer(o)
10326 def _get_as_binary(self):
10327 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10328 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10330 def _set_from_binary(self, p):
10331 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10332 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10334 def __getstate__(self):
10335 p = self._get_as_binary()
10336 if len(self.__dict__) > 1:
10337 d = self.__dict__.copy()
10342 def __setstate__(self, p):
10343 if not hasattr(self,
'this'):
10345 if isinstance(p, tuple):
10347 self.__dict__.update(d)
10348 return self._set_from_binary(p)
10352 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10355 r"""get_particle(Particle p) -> Particle"""
10356 return _IMP_kernel.get_particle(p)
10358 def _decorator_test(p):
10359 r"""_decorator_test(Particle p)"""
10360 return _IMP_kernel._decorator_test(p)
10362 def _overloaded_decorator(*args):
10364 _overloaded_decorator(_TrivialDecorator a) -> int
10365 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10367 return _IMP_kernel._overloaded_decorator(*args)
10369 def _take_particles(*args):
10371 _take_particles(IMP::Particles const & ps) -> unsigned int
10372 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10373 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10375 return _IMP_kernel._take_particles(*args)
10377 def _give_particles(m):
10378 r"""_give_particles(Model m) -> IMP::Particles const &"""
10379 return _IMP_kernel._give_particles(m)
10381 def _pass_particles(ps):
10382 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10383 return _IMP_kernel._pass_particles(ps)
10385 def _pass_particle(ps):
10386 r"""_pass_particle(Particle ps) -> Particle"""
10387 return _IMP_kernel._pass_particle(ps)
10389 def _pass_particle_pair(pp):
10390 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10391 return _IMP_kernel._pass_particle_pair(pp)
10393 def _give_particles_copy(m):
10394 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10395 return _IMP_kernel._give_particles_copy(m)
10397 def _pass_float_keys(input):
10398 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10399 return _IMP_kernel._pass_float_keys(input)
10403 _pass(IMP::Particles const & p) -> IMP::Particles const
10404 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10406 return _IMP_kernel._pass(*args)
10408 def _pass_decorators(p):
10409 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10410 return _IMP_kernel._pass_decorators(p)
10412 def _pass_decorator_traits(p):
10413 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10414 return _IMP_kernel._pass_decorator_traits(p)
10416 def _pass_particle_pairs(p):
10417 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10418 return _IMP_kernel._pass_particle_pairs(p)
10420 def _pass_particle_index_pairs(p):
10421 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10422 return _IMP_kernel._pass_particle_index_pairs(p)
10424 def _pass_model_objects(p):
10425 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10426 return _IMP_kernel._pass_model_objects(p)
10428 def _pass_particles_temps(ps):
10429 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10430 return _IMP_kernel._pass_particles_temps(ps)
10432 def _test_overload(*args):
10434 _test_overload(IMP::Particles const & ps) -> int
10435 _test_overload(IMP::Restraints const & ps) -> int
10437 return _IMP_kernel._test_overload(*args)
10439 def _get_range(m, k):
10440 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10441 return _IMP_kernel._get_range(m, k)
10443 def _create_particles_from_pdb(name, m):
10444 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10445 return _IMP_kernel._create_particles_from_pdb(name, m)
10447 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10450 __repr__ = _swig_repr
10452 def __init__(self):
10453 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10454 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10456 def do_get_inputs(self, arg2, arg3):
10457 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10458 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10460 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10461 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"""
10462 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10464 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10465 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"""
10466 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10468 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10469 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"""
10470 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10472 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10473 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"""
10474 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10477 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10478 return _IMP_kernel._LogPairScore_get_version_info(self)
10479 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10481 def get_particle_pairs(self):
10482 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10483 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10486 r"""clear(_LogPairScore self)"""
10487 return _IMP_kernel._LogPairScore_clear(self)
10489 def get_contains(self, pp):
10490 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10491 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10494 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10496 def _overloaded_particles(*args):
10498 _overloaded_particles(Particle arg1)
10499 _overloaded_particles(IMP::Particles const & arg1)
10500 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10501 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10502 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10503 _overloaded_particles(_TrivialDecorator arg1)
10505 return _IMP_kernel._overloaded_particles(*args)
10506 class _ImplicitParticles(object):
10507 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10509 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10510 __repr__ = _swig_repr
10512 def __init__(self, *args):
10514 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10515 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10516 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10517 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10518 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10519 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10521 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10522 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10525 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10527 def _implicit_particles(arg1):
10528 r"""_implicit_particles(_ImplicitParticles arg1)"""
10529 return _IMP_kernel._implicit_particles(arg1)
10531 def _take_particle_adaptor(pa):
10532 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10533 return _IMP_kernel._take_particle_adaptor(pa)
10535 def _take_particle_indexes_adaptor(pa):
10536 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10537 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10538 class Vector1D(_VectorBase1D):
10539 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10541 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10543 def get_unit_vector(self):
10544 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10545 return _IMP_kernel.Vector1D_get_unit_vector(self)
10547 def __truediv__(self, *args):
10548 return _IMP_kernel.Vector1D___truediv__(self, *args)
10553 r"""__neg__(Vector1D self) -> Vector1D"""
10554 return _IMP_kernel.Vector1D___neg__(self)
10556 def __sub__(self, o):
10557 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10558 return _IMP_kernel.Vector1D___sub__(self, o)
10560 def __add__(self, ret):
10561 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10562 return _IMP_kernel.Vector1D___add__(self, ret)
10564 def __mul__(self, *args):
10566 __mul__(Vector1D self, double s) -> Vector1D
10567 __mul__(Vector1D self, Vector1D o) -> double
10569 return _IMP_kernel.Vector1D___mul__(self, *args)
10571 def __init__(self, *args):
10573 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10574 __init__(Vector1D self) -> Vector1D
10575 __init__(Vector1D self, double x) -> Vector1D
10577 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10579 def __iadd__(self, *args):
10580 _IMP_kernel.Vector1D___iadd__(self, *args)
10585 def __imul__(self, *args):
10586 _IMP_kernel.Vector1D___imul__(self, *args)
10591 def __itruediv__(self, *args):
10592 _IMP_kernel.Vector1D___itruediv__(self, *args)
10597 def __isub__(self, *args):
10598 _IMP_kernel.Vector1D___isub__(self, *args)
10604 r"""__len__(Vector1D self) -> unsigned int"""
10605 return _IMP_kernel.Vector1D___len__(self)
10607 def __rmul__(self, f):
10608 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10609 return _IMP_kernel.Vector1D___rmul__(self, f)
10612 r"""__str__(Vector1D self) -> std::string"""
10613 return _IMP_kernel.Vector1D___str__(self)
10615 def __repr__(self):
10616 r"""__repr__(Vector1D self) -> std::string"""
10617 return _IMP_kernel.Vector1D___repr__(self)
10619 def __cmp__(self, arg2):
10620 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10621 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10623 def __eq__(self, arg2):
10624 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10625 return _IMP_kernel.Vector1D___eq__(self, arg2)
10627 def _get_as_binary(self):
10628 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10629 return _IMP_kernel.Vector1D__get_as_binary(self)
10631 def _set_from_binary(self, p):
10632 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10633 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10635 def __getstate__(self):
10636 p = self._get_as_binary()
10637 if len(self.__dict__) > 1:
10638 d = self.__dict__.copy()
10643 def __setstate__(self, p):
10644 if not hasattr(self,
'this'):
10646 if isinstance(p, tuple):
10648 self.__dict__.update(d)
10649 return self._set_from_binary(p)
10652 def __getitem__(self, index):
10653 if isinstance(index, slice):
10654 return [self[i]
for i
in range(*index.indices(len(self)))]
10656 return _IMP_kernel.Vector1D___getitem__(self, index)
10660 def __setitem__(self, index, val):
10661 if isinstance(index, slice):
10662 if not hasattr(val,
'__iter__'):
10663 raise TypeError(
"must assign iterable to extended slice")
10664 inds = range(*index.indices(len(self)))
10665 if len(inds) != len(val):
10667 "attempt to assign sequence of size %d "
10668 "to extended slice of size %d" % (len(val), len(inds)))
10669 for ind, v
in zip(inds, val):
10672 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10675 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10678 _IMP_kernel.Vector1D_swigregister(Vector1D)
10679 class Vector2D(_VectorBase2D):
10680 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10682 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10684 def get_unit_vector(self):
10685 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10686 return _IMP_kernel.Vector2D_get_unit_vector(self)
10688 def __truediv__(self, *args):
10689 return _IMP_kernel.Vector2D___truediv__(self, *args)
10694 r"""__neg__(Vector2D self) -> Vector2D"""
10695 return _IMP_kernel.Vector2D___neg__(self)
10697 def __sub__(self, o):
10698 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10699 return _IMP_kernel.Vector2D___sub__(self, o)
10701 def __add__(self, ret):
10702 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10703 return _IMP_kernel.Vector2D___add__(self, ret)
10705 def __mul__(self, *args):
10707 __mul__(Vector2D self, double s) -> Vector2D
10708 __mul__(Vector2D self, Vector2D o) -> double
10710 return _IMP_kernel.Vector2D___mul__(self, *args)
10712 def __init__(self, *args):
10714 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10715 __init__(Vector2D self) -> Vector2D
10716 __init__(Vector2D self, double x, double y) -> Vector2D
10718 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10720 def __iadd__(self, *args):
10721 _IMP_kernel.Vector2D___iadd__(self, *args)
10726 def __imul__(self, *args):
10727 _IMP_kernel.Vector2D___imul__(self, *args)
10732 def __itruediv__(self, *args):
10733 _IMP_kernel.Vector2D___itruediv__(self, *args)
10738 def __isub__(self, *args):
10739 _IMP_kernel.Vector2D___isub__(self, *args)
10745 r"""__len__(Vector2D self) -> unsigned int"""
10746 return _IMP_kernel.Vector2D___len__(self)
10748 def __rmul__(self, f):
10749 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10750 return _IMP_kernel.Vector2D___rmul__(self, f)
10753 r"""__str__(Vector2D self) -> std::string"""
10754 return _IMP_kernel.Vector2D___str__(self)
10756 def __repr__(self):
10757 r"""__repr__(Vector2D self) -> std::string"""
10758 return _IMP_kernel.Vector2D___repr__(self)
10760 def __cmp__(self, arg2):
10761 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10762 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10764 def __eq__(self, arg2):
10765 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10766 return _IMP_kernel.Vector2D___eq__(self, arg2)
10768 def _get_as_binary(self):
10769 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10770 return _IMP_kernel.Vector2D__get_as_binary(self)
10772 def _set_from_binary(self, p):
10773 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10774 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10776 def __getstate__(self):
10777 p = self._get_as_binary()
10778 if len(self.__dict__) > 1:
10779 d = self.__dict__.copy()
10784 def __setstate__(self, p):
10785 if not hasattr(self,
'this'):
10787 if isinstance(p, tuple):
10789 self.__dict__.update(d)
10790 return self._set_from_binary(p)
10793 def __getitem__(self, index):
10794 if isinstance(index, slice):
10795 return [self[i]
for i
in range(*index.indices(len(self)))]
10797 return _IMP_kernel.Vector2D___getitem__(self, index)
10801 def __setitem__(self, index, val):
10802 if isinstance(index, slice):
10803 if not hasattr(val,
'__iter__'):
10804 raise TypeError(
"must assign iterable to extended slice")
10805 inds = range(*index.indices(len(self)))
10806 if len(inds) != len(val):
10808 "attempt to assign sequence of size %d "
10809 "to extended slice of size %d" % (len(val), len(inds)))
10810 for ind, v
in zip(inds, val):
10813 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10816 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10819 _IMP_kernel.Vector2D_swigregister(Vector2D)
10820 class Vector3D(_VectorBase3D):
10821 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10823 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10825 def get_unit_vector(self):
10826 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10827 return _IMP_kernel.Vector3D_get_unit_vector(self)
10829 def __truediv__(self, *args):
10830 return _IMP_kernel.Vector3D___truediv__(self, *args)
10835 r"""__neg__(Vector3D self) -> Vector3D"""
10836 return _IMP_kernel.Vector3D___neg__(self)
10838 def __sub__(self, o):
10839 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10840 return _IMP_kernel.Vector3D___sub__(self, o)
10842 def __add__(self, ret):
10843 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10844 return _IMP_kernel.Vector3D___add__(self, ret)
10846 def __mul__(self, *args):
10848 __mul__(Vector3D self, double s) -> Vector3D
10849 __mul__(Vector3D self, Vector3D o) -> double
10851 return _IMP_kernel.Vector3D___mul__(self, *args)
10853 def __init__(self, *args):
10855 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10856 __init__(Vector3D self) -> Vector3D
10857 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10859 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10861 def __iadd__(self, *args):
10862 _IMP_kernel.Vector3D___iadd__(self, *args)
10867 def __imul__(self, *args):
10868 _IMP_kernel.Vector3D___imul__(self, *args)
10873 def __itruediv__(self, *args):
10874 _IMP_kernel.Vector3D___itruediv__(self, *args)
10879 def __isub__(self, *args):
10880 _IMP_kernel.Vector3D___isub__(self, *args)
10886 r"""__len__(Vector3D self) -> unsigned int"""
10887 return _IMP_kernel.Vector3D___len__(self)
10889 def __rmul__(self, f):
10890 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10891 return _IMP_kernel.Vector3D___rmul__(self, f)
10894 r"""__str__(Vector3D self) -> std::string"""
10895 return _IMP_kernel.Vector3D___str__(self)
10897 def __repr__(self):
10898 r"""__repr__(Vector3D self) -> std::string"""
10899 return _IMP_kernel.Vector3D___repr__(self)
10901 def __cmp__(self, arg2):
10902 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10903 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10905 def __eq__(self, arg2):
10906 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10907 return _IMP_kernel.Vector3D___eq__(self, arg2)
10909 def _get_as_binary(self):
10910 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10911 return _IMP_kernel.Vector3D__get_as_binary(self)
10913 def _set_from_binary(self, p):
10914 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10915 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10917 def __getstate__(self):
10918 p = self._get_as_binary()
10919 if len(self.__dict__) > 1:
10920 d = self.__dict__.copy()
10925 def __setstate__(self, p):
10926 if not hasattr(self,
'this'):
10928 if isinstance(p, tuple):
10930 self.__dict__.update(d)
10931 return self._set_from_binary(p)
10934 def __getitem__(self, index):
10935 if isinstance(index, slice):
10936 return [self[i]
for i
in range(*index.indices(len(self)))]
10938 return _IMP_kernel.Vector3D___getitem__(self, index)
10942 def __setitem__(self, index, val):
10943 if isinstance(index, slice):
10944 if not hasattr(val,
'__iter__'):
10945 raise TypeError(
"must assign iterable to extended slice")
10946 inds = range(*index.indices(len(self)))
10947 if len(inds) != len(val):
10949 "attempt to assign sequence of size %d "
10950 "to extended slice of size %d" % (len(val), len(inds)))
10951 for ind, v
in zip(inds, val):
10954 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10957 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10960 _IMP_kernel.Vector3D_swigregister(Vector3D)
10961 class Vector4D(_VectorBase4D):
10962 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10964 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10966 def get_unit_vector(self):
10967 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10968 return _IMP_kernel.Vector4D_get_unit_vector(self)
10970 def __truediv__(self, *args):
10971 return _IMP_kernel.Vector4D___truediv__(self, *args)
10976 r"""__neg__(Vector4D self) -> Vector4D"""
10977 return _IMP_kernel.Vector4D___neg__(self)
10979 def __sub__(self, o):
10980 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10981 return _IMP_kernel.Vector4D___sub__(self, o)
10983 def __add__(self, ret):
10984 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10985 return _IMP_kernel.Vector4D___add__(self, ret)
10987 def __mul__(self, *args):
10989 __mul__(Vector4D self, double s) -> Vector4D
10990 __mul__(Vector4D self, Vector4D o) -> double
10992 return _IMP_kernel.Vector4D___mul__(self, *args)
10994 def __init__(self, *args):
10996 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10997 __init__(Vector4D self) -> Vector4D
10998 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
11000 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
11002 def __iadd__(self, *args):
11003 _IMP_kernel.Vector4D___iadd__(self, *args)
11008 def __imul__(self, *args):
11009 _IMP_kernel.Vector4D___imul__(self, *args)
11014 def __itruediv__(self, *args):
11015 _IMP_kernel.Vector4D___itruediv__(self, *args)
11020 def __isub__(self, *args):
11021 _IMP_kernel.Vector4D___isub__(self, *args)
11027 r"""__len__(Vector4D self) -> unsigned int"""
11028 return _IMP_kernel.Vector4D___len__(self)
11030 def __rmul__(self, f):
11031 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
11032 return _IMP_kernel.Vector4D___rmul__(self, f)
11035 r"""__str__(Vector4D self) -> std::string"""
11036 return _IMP_kernel.Vector4D___str__(self)
11038 def __repr__(self):
11039 r"""__repr__(Vector4D self) -> std::string"""
11040 return _IMP_kernel.Vector4D___repr__(self)
11042 def __cmp__(self, arg2):
11043 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11044 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11046 def __eq__(self, arg2):
11047 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11048 return _IMP_kernel.Vector4D___eq__(self, arg2)
11050 def _get_as_binary(self):
11051 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11052 return _IMP_kernel.Vector4D__get_as_binary(self)
11054 def _set_from_binary(self, p):
11055 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11056 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11058 def __getstate__(self):
11059 p = self._get_as_binary()
11060 if len(self.__dict__) > 1:
11061 d = self.__dict__.copy()
11066 def __setstate__(self, p):
11067 if not hasattr(self,
'this'):
11069 if isinstance(p, tuple):
11071 self.__dict__.update(d)
11072 return self._set_from_binary(p)
11075 def __getitem__(self, index):
11076 if isinstance(index, slice):
11077 return [self[i]
for i
in range(*index.indices(len(self)))]
11079 return _IMP_kernel.Vector4D___getitem__(self, index)
11083 def __setitem__(self, index, val):
11084 if isinstance(index, slice):
11085 if not hasattr(val,
'__iter__'):
11086 raise TypeError(
"must assign iterable to extended slice")
11087 inds = range(*index.indices(len(self)))
11088 if len(inds) != len(val):
11090 "attempt to assign sequence of size %d "
11091 "to extended slice of size %d" % (len(val), len(inds)))
11092 for ind, v
in zip(inds, val):
11095 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11098 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11101 _IMP_kernel.Vector4D_swigregister(Vector4D)
11102 class Vector5D(_VectorBase5D):
11103 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11107 def get_unit_vector(self):
11108 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11109 return _IMP_kernel.Vector5D_get_unit_vector(self)
11111 def __truediv__(self, *args):
11112 return _IMP_kernel.Vector5D___truediv__(self, *args)
11117 r"""__neg__(Vector5D self) -> Vector5D"""
11118 return _IMP_kernel.Vector5D___neg__(self)
11120 def __sub__(self, o):
11121 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11122 return _IMP_kernel.Vector5D___sub__(self, o)
11124 def __add__(self, ret):
11125 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11126 return _IMP_kernel.Vector5D___add__(self, ret)
11128 def __mul__(self, *args):
11130 __mul__(Vector5D self, double s) -> Vector5D
11131 __mul__(Vector5D self, Vector5D o) -> double
11133 return _IMP_kernel.Vector5D___mul__(self, *args)
11135 def __init__(self, *args):
11137 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11138 __init__(Vector5D self) -> Vector5D
11139 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11141 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11143 def __iadd__(self, *args):
11144 _IMP_kernel.Vector5D___iadd__(self, *args)
11149 def __imul__(self, *args):
11150 _IMP_kernel.Vector5D___imul__(self, *args)
11155 def __itruediv__(self, *args):
11156 _IMP_kernel.Vector5D___itruediv__(self, *args)
11161 def __isub__(self, *args):
11162 _IMP_kernel.Vector5D___isub__(self, *args)
11168 r"""__len__(Vector5D self) -> unsigned int"""
11169 return _IMP_kernel.Vector5D___len__(self)
11171 def __rmul__(self, f):
11172 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11173 return _IMP_kernel.Vector5D___rmul__(self, f)
11176 r"""__str__(Vector5D self) -> std::string"""
11177 return _IMP_kernel.Vector5D___str__(self)
11179 def __repr__(self):
11180 r"""__repr__(Vector5D self) -> std::string"""
11181 return _IMP_kernel.Vector5D___repr__(self)
11183 def __cmp__(self, arg2):
11184 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11185 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11187 def __eq__(self, arg2):
11188 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11189 return _IMP_kernel.Vector5D___eq__(self, arg2)
11191 def _get_as_binary(self):
11192 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11193 return _IMP_kernel.Vector5D__get_as_binary(self)
11195 def _set_from_binary(self, p):
11196 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11197 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11199 def __getstate__(self):
11200 p = self._get_as_binary()
11201 if len(self.__dict__) > 1:
11202 d = self.__dict__.copy()
11207 def __setstate__(self, p):
11208 if not hasattr(self,
'this'):
11210 if isinstance(p, tuple):
11212 self.__dict__.update(d)
11213 return self._set_from_binary(p)
11216 def __getitem__(self, index):
11217 if isinstance(index, slice):
11218 return [self[i]
for i
in range(*index.indices(len(self)))]
11220 return _IMP_kernel.Vector5D___getitem__(self, index)
11224 def __setitem__(self, index, val):
11225 if isinstance(index, slice):
11226 if not hasattr(val,
'__iter__'):
11227 raise TypeError(
"must assign iterable to extended slice")
11228 inds = range(*index.indices(len(self)))
11229 if len(inds) != len(val):
11231 "attempt to assign sequence of size %d "
11232 "to extended slice of size %d" % (len(val), len(inds)))
11233 for ind, v
in zip(inds, val):
11236 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11239 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11242 _IMP_kernel.Vector5D_swigregister(Vector5D)
11243 class Vector6D(_VectorBase6D):
11244 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11246 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11248 def get_unit_vector(self):
11249 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11250 return _IMP_kernel.Vector6D_get_unit_vector(self)
11252 def __truediv__(self, *args):
11253 return _IMP_kernel.Vector6D___truediv__(self, *args)
11258 r"""__neg__(Vector6D self) -> Vector6D"""
11259 return _IMP_kernel.Vector6D___neg__(self)
11261 def __sub__(self, o):
11262 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11263 return _IMP_kernel.Vector6D___sub__(self, o)
11265 def __add__(self, ret):
11266 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11267 return _IMP_kernel.Vector6D___add__(self, ret)
11269 def __mul__(self, *args):
11271 __mul__(Vector6D self, double s) -> Vector6D
11272 __mul__(Vector6D self, Vector6D o) -> double
11274 return _IMP_kernel.Vector6D___mul__(self, *args)
11276 def __init__(self, *args):
11278 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11279 __init__(Vector6D self) -> Vector6D
11280 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11282 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11284 def __iadd__(self, *args):
11285 _IMP_kernel.Vector6D___iadd__(self, *args)
11290 def __imul__(self, *args):
11291 _IMP_kernel.Vector6D___imul__(self, *args)
11296 def __itruediv__(self, *args):
11297 _IMP_kernel.Vector6D___itruediv__(self, *args)
11302 def __isub__(self, *args):
11303 _IMP_kernel.Vector6D___isub__(self, *args)
11309 r"""__len__(Vector6D self) -> unsigned int"""
11310 return _IMP_kernel.Vector6D___len__(self)
11312 def __rmul__(self, f):
11313 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11314 return _IMP_kernel.Vector6D___rmul__(self, f)
11317 r"""__str__(Vector6D self) -> std::string"""
11318 return _IMP_kernel.Vector6D___str__(self)
11320 def __repr__(self):
11321 r"""__repr__(Vector6D self) -> std::string"""
11322 return _IMP_kernel.Vector6D___repr__(self)
11324 def __cmp__(self, arg2):
11325 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11326 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11328 def __eq__(self, arg2):
11329 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11330 return _IMP_kernel.Vector6D___eq__(self, arg2)
11332 def _get_as_binary(self):
11333 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11334 return _IMP_kernel.Vector6D__get_as_binary(self)
11336 def _set_from_binary(self, p):
11337 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11338 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11340 def __getstate__(self):
11341 p = self._get_as_binary()
11342 if len(self.__dict__) > 1:
11343 d = self.__dict__.copy()
11348 def __setstate__(self, p):
11349 if not hasattr(self,
'this'):
11351 if isinstance(p, tuple):
11353 self.__dict__.update(d)
11354 return self._set_from_binary(p)
11357 def __getitem__(self, index):
11358 if isinstance(index, slice):
11359 return [self[i]
for i
in range(*index.indices(len(self)))]
11361 return _IMP_kernel.Vector6D___getitem__(self, index)
11365 def __setitem__(self, index, val):
11366 if isinstance(index, slice):
11367 if not hasattr(val,
'__iter__'):
11368 raise TypeError(
"must assign iterable to extended slice")
11369 inds = range(*index.indices(len(self)))
11370 if len(inds) != len(val):
11372 "attempt to assign sequence of size %d "
11373 "to extended slice of size %d" % (len(val), len(inds)))
11374 for ind, v
in zip(inds, val):
11377 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11380 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11383 _IMP_kernel.Vector6D_swigregister(Vector6D)
11384 class VectorKD(_VectorBaseKD):
11385 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11389 def get_unit_vector(self):
11390 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11391 return _IMP_kernel.VectorKD_get_unit_vector(self)
11393 def __truediv__(self, *args):
11394 return _IMP_kernel.VectorKD___truediv__(self, *args)
11399 r"""__neg__(VectorKD self) -> VectorKD"""
11400 return _IMP_kernel.VectorKD___neg__(self)
11402 def __sub__(self, o):
11403 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11404 return _IMP_kernel.VectorKD___sub__(self, o)
11406 def __add__(self, ret):
11407 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11408 return _IMP_kernel.VectorKD___add__(self, ret)
11410 def __mul__(self, *args):
11412 __mul__(VectorKD self, double s) -> VectorKD
11413 __mul__(VectorKD self, VectorKD o) -> double
11415 return _IMP_kernel.VectorKD___mul__(self, *args)
11417 def __init__(self, *args):
11419 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11420 __init__(VectorKD self) -> VectorKD
11421 __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
11423 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11425 def __iadd__(self, *args):
11426 _IMP_kernel.VectorKD___iadd__(self, *args)
11431 def __imul__(self, *args):
11432 _IMP_kernel.VectorKD___imul__(self, *args)
11437 def __itruediv__(self, *args):
11438 _IMP_kernel.VectorKD___itruediv__(self, *args)
11443 def __isub__(self, *args):
11444 _IMP_kernel.VectorKD___isub__(self, *args)
11450 r"""__len__(VectorKD self) -> unsigned int"""
11451 return _IMP_kernel.VectorKD___len__(self)
11453 def __rmul__(self, f):
11454 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11455 return _IMP_kernel.VectorKD___rmul__(self, f)
11458 r"""__str__(VectorKD self) -> std::string"""
11459 return _IMP_kernel.VectorKD___str__(self)
11461 def __repr__(self):
11462 r"""__repr__(VectorKD self) -> std::string"""
11463 return _IMP_kernel.VectorKD___repr__(self)
11465 def __cmp__(self, arg2):
11466 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11467 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11469 def __eq__(self, arg2):
11470 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11471 return _IMP_kernel.VectorKD___eq__(self, arg2)
11473 def _get_as_binary(self):
11474 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11475 return _IMP_kernel.VectorKD__get_as_binary(self)
11477 def _set_from_binary(self, p):
11478 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11479 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11481 def __getstate__(self):
11482 p = self._get_as_binary()
11483 if len(self.__dict__) > 1:
11484 d = self.__dict__.copy()
11489 def __setstate__(self, p):
11490 if not hasattr(self,
'this'):
11492 if isinstance(p, tuple):
11494 self.__dict__.update(d)
11495 return self._set_from_binary(p)
11498 def __getitem__(self, index):
11499 if isinstance(index, slice):
11500 return [self[i]
for i
in range(*index.indices(len(self)))]
11502 return _IMP_kernel.VectorKD___getitem__(self, index)
11506 def __setitem__(self, index, val):
11507 if isinstance(index, slice):
11508 if not hasattr(val,
'__iter__'):
11509 raise TypeError(
"must assign iterable to extended slice")
11510 inds = range(*index.indices(len(self)))
11511 if len(inds) != len(val):
11513 "attempt to assign sequence of size %d "
11514 "to extended slice of size %d" % (len(val), len(inds)))
11515 for ind, v
in zip(inds, val):
11518 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11521 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11524 _IMP_kernel.VectorKD_swigregister(VectorKD)
11526 def get_basis_vector_1d(coordinate):
11527 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11528 return _IMP_kernel.get_basis_vector_1d(coordinate)
11530 def get_basis_vector_2d(coordinate):
11531 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11532 return _IMP_kernel.get_basis_vector_2d(coordinate)
11534 def get_basis_vector_3d(coordinate):
11535 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11536 return _IMP_kernel.get_basis_vector_3d(coordinate)
11538 def get_basis_vector_4d(coordinate):
11539 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11540 return _IMP_kernel.get_basis_vector_4d(coordinate)
11542 def get_basis_vector_5d(coordinate):
11543 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11544 return _IMP_kernel.get_basis_vector_5d(coordinate)
11546 def get_basis_vector_6d(coordinate):
11547 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11548 return _IMP_kernel.get_basis_vector_6d(coordinate)
11550 def get_zero_vector_1d():
11551 r"""get_zero_vector_1d() -> Vector1D"""
11552 return _IMP_kernel.get_zero_vector_1d()
11554 def get_zero_vector_2d():
11555 r"""get_zero_vector_2d() -> Vector2D"""
11556 return _IMP_kernel.get_zero_vector_2d()
11558 def get_zero_vector_3d():
11559 r"""get_zero_vector_3d() -> Vector3D"""
11560 return _IMP_kernel.get_zero_vector_3d()
11562 def get_zero_vector_4d():
11563 r"""get_zero_vector_4d() -> Vector4D"""
11564 return _IMP_kernel.get_zero_vector_4d()
11566 def get_zero_vector_5d():
11567 r"""get_zero_vector_5d() -> Vector5D"""
11568 return _IMP_kernel.get_zero_vector_5d()
11570 def get_zero_vector_6d():
11571 r"""get_zero_vector_6d() -> Vector6D"""
11572 return _IMP_kernel.get_zero_vector_6d()
11574 def get_ones_vector_1d(v=1):
11575 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11576 return _IMP_kernel.get_ones_vector_1d(v)
11578 def get_ones_vector_2d(v=1):
11579 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11580 return _IMP_kernel.get_ones_vector_2d(v)
11582 def get_ones_vector_3d(v=1):
11583 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11584 return _IMP_kernel.get_ones_vector_3d(v)
11586 def get_ones_vector_4d(v=1):
11587 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11588 return _IMP_kernel.get_ones_vector_4d(v)
11590 def get_ones_vector_5d(v=1):
11591 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11592 return _IMP_kernel.get_ones_vector_5d(v)
11594 def get_ones_vector_6d(v=1):
11595 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11596 return _IMP_kernel.get_ones_vector_6d(v)
11598 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11600 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11601 __repr__ = _swig_repr
11603 def __init__(self, *args):
11605 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11606 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11608 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11610 def do_add_score_and_derivatives(self, sa, ss):
11611 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11612 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11614 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11615 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)"""
11616 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11618 def do_get_inputs(self):
11619 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11620 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11622 def get_restraints(self):
11623 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11624 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11626 def set_restraints(self, s):
11627 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11628 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11630 def get_number_of_restraints(self):
11631 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11632 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11634 def clear_restraints(self):
11635 r"""clear_restraints(_RestraintsScoringFunction self)"""
11636 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11638 def get_restraint(self, i):
11639 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11640 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11642 def erase_restraint(self, i):
11643 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11644 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11647 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11648 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11651 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11652 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11654 def _python_index_restraint(self, r, start, stop):
11655 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11656 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11659 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11660 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11661 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11665 return _object_cast_to__RestraintsScoringFunction(o)
11668 def __get_restraints(self):
11669 return _list_util.VarList(
11670 getdimfunc=self.get_number_of_restraints,
11671 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11672 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11673 clearfunc=self.clear_restraints,
11674 indexfunc=self._python_index_restraint)
11676 def __set_restraints(self, obj):
11677 _list_util.set_varlist(self.restraints, obj)
11679 def __del_restraints(self):
11680 _list_util.del_varlist(self.restraints)
11682 restraints = property(__get_restraints, __set_restraints,
11683 __del_restraints, doc=
"List of Restraints")
11686 def _get_jax(self, space=None):
11689 jis = [r.get_derived_object()._get_jax(space)
for r
in self.restraints]
11690 funcs = [j.score_func
for j
in jis]
11691 keys = frozenset(x
for j
in jis
for x
in j._keys)
11693 return sum(f(jm)
for f
in funcs)
11694 return IMP._jax_util.JAXRestraintInfo(
11695 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11699 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11701 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11705 def __init__(self, *args):
11707 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11708 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11710 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11712 def set(self, p, key, value):
11713 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11714 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11717 r"""reset(ScopedSetFloatAttribute self)"""
11718 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11719 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11721 def show(self, *args):
11722 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11723 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11726 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11727 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11729 def __repr__(self):
11730 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11731 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11734 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11736 def _get_module_data_path(module, file_name):
11737 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11738 return _IMP_kernel._get_module_data_path(module, file_name)
11740 def _get_module_example_path(module, file_name):
11741 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11742 return _IMP_kernel._get_module_example_path(module, file_name)
11751 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11752 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11753 pathcomps = os.environ[
'PATH'].split(
";")
11755 if d
not in pathcomps:
11756 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11764 """Allow command line tools to easily implement multiple commands.
11765 Typically, an IMP command line tool will use an instance of this class
11766 to provide a consistent interface to multiple distinct commands
11767 from a single binary, rather than providing a potentially large
11768 number of binaries. This is similar to the way a number of common
11769 command line tools outside of IMP function (e.g. Git provides a single
11770 `git` tool which implements multiple commands - `git add`, `git commit`,
11771 `git push` and so on).
11773 Each command is implemented with a Python module of the same name
11774 that can be imported from the module (for example, if `module_name`
11775 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11776 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11777 Each such module should have a docstring and a `%main()` method
11778 that takes no arguments (the module should also call its `%main()` method
11779 if it is run directly, i.e. with something like
11780 `if __name__=="__main__": %main()`). The encompassing module
11781 (`IMP.foo` in the example) should define `_all_commands` as a Python
11782 list of all valid commands.
11784 See the `multifit` and `cnmultifit` command line tools for example
11790 @param short_help A few words that describe the command line tool.
11791 @param long_help Longer text, used in the `help` command.
11792 @param module_name Name of the module (e.g. `IMP.foo`) that
11793 implements the commands.
11795 self.short_help = short_help
11796 self.long_help = long_help
11797 self.module_name = module_name
11798 self._all_commands = self.import_module()._all_commands
11799 self._progname = os.path.basename(sys.argv[0])
11802 """Call this method to act upon the user-provided command line"""
11803 if len(sys.argv) <= 1:
11804 print(self.short_help +
" Use '%s help' for help." % self._progname)
11806 command = sys.argv[1]
11807 if command
in (
'help',
'--help',
'-h'):
11808 if len(sys.argv) == 3:
11809 self.show_command_help(sys.argv[2])
11812 elif command ==
'--version':
11813 self.show_version()
11814 elif command
in self._all_commands:
11815 self.do_command(command)
11817 self.unknown_command(command)
11819 def import_module(self, mod=None):
11820 modname = self.module_name
11821 if mod
is not None:
11822 modname +=
"." + mod
11823 return __import__(modname, {}, {}, [
''])
11825 def unknown_command(self, command):
11826 print(
"Unknown command: '%s'" % command)
11827 print(
"Use '%s help' for help." % self._progname)
11830 def _get_version(self):
11833 def show_version(self):
11834 print(self._progname +
' ' + self._get_version())
11836 def show_help(self):
11837 ver = self._get_version()
11838 print(
"%s, version %s." % (self._progname, ver))
11839 print(self.long_help +
"""
11841 This program is part of IMP, the Integrative Modeling Platform,
11843 For additional information about IMP, see <https://integrativemodeling.org>.
11845 Usage: %s <command> [options] [args]
11848 commands = self._all_commands[:] + [
'help']
11850 cmdlen = max([len(c)
for c
in commands])
11853 doc =
'Get help on using %s.' % self._progname
11855 doc = self.import_module(c).__doc__
or "<no help>"
11856 c +=
' ' * (cmdlen - len(c))
11857 print(
' ' + c +
' ' + doc)
11859 Use "%s help <command>" for detailed help on any command
11860 or "%s --version" to see the version number.""" % (self._progname,
11863 def do_command(self, command):
11864 mod = self.import_module(command)
11865 sys.argv[0] = self._progname +
' ' + command
11869 def show_command_help(self, command):
11870 if command ==
'help':
11872 elif command
in self._all_commands
or command ==
'help':
11873 mod = self.import_module(command)
11874 sys.argv = [self._progname +
' ' + command,
'--help']
11877 self.unknown_command(command)
11884 g = networkx.DiGraph()
11885 if len(ig.get_vertices()) == 0:
11894 return self.p.get_name()
11896 def __call__(self, name):
11897 return self.p.__call__(name)
11899 for vi
in ig.get_vertices():
11900 n = ig.get_vertex_name(vi)
11901 g.add_node(NodeWrapper(n))
11902 for vi
in ig.get_vertices():
11903 n = ig.get_vertex_name(vi)
11904 for ni
in ig.get_out_neighbors(vi):
11905 nn = ig.get_vertex_name(ni)
11906 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11913 n0 = name.get_name()
11916 n1 = str(n0).replace(
'"',
'')
11917 n2 = n1.replace(
"\n",
'')
11920 from altgraph
import Graph, Dot
11921 graph = Graph.Graph()
11922 for i, v
in enumerate(g.get_vertices()):
11924 for i, v
in enumerate(g.get_vertices()):
11925 for n
in g.get_out_neighbors(v):
11926 graph.add_edge(v, n)
11927 dot = Dot.Dot(graph)
11928 for i, v
in enumerate(g.get_vertices()):
11929 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11937 st = g.get_graphviz_string()
11938 with open(tfn,
"w")
as fh:
11941 print(
"running dot")
11942 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11946 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")
11949 if platform.system() ==
"Darwin":
11952 cmd = [
"gv",
"acroread",
"xpdf"]
11955 print(
"launching viewer " + c)
11957 subprocess.check_call([c, tfon])
11963 print(
"Could not display file. It is saved at " + tfon)
11973 """Mark a Python module as deprecated.
11974 @note The `module` argument would normally be `__name__`.
11975 @see [deprecation support](@ref deprecation)."""
11977 "Module %s is deprecated. %s\n" % (module, help_message))
11980 """Python decorator to mark a class as deprecated.
11981 @see [deprecation support](@ref deprecation)."""
11983 orig_init = obj.__init__
11986 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11987 def __init__(obj, *args, **keys):
11989 % (type(obj), help_message))
11990 orig_init(obj, *args, **keys)
11991 obj.__init__ = __init__
11996 """Python decorator to mark a method as deprecated.
11997 @see [deprecation support](@ref deprecation)."""
11998 def out_wrapper(obj):
11999 @functools.wraps(obj)
12000 def wrapper(cls, *args, **keys):
12002 % (obj.__name__, type(cls), help_message))
12003 return obj(cls, *args, **keys)
12008 """Python decorator to mark a function as deprecated.
12009 @see [deprecation support](@ref deprecation)."""
12010 def out_wrapper(obj):
12011 @functools.wraps(obj)
12012 def wrapper(*args, **keys):
12014 % (obj.__name__, help_message))
12015 return obj(*args, **keys)
12019 @contextlib.contextmanager
12021 """Context manager to temporarily allow (or disallow) deprecated code.
12022 @see [deprecation support](@ref deprecation)."""
12029 def _get_all_flags(ntokens):
12030 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
12031 return _IMP_kernel._get_all_flags(ntokens)
12033 def _print_internal_help(out, description):
12034 r"""_print_internal_help(_ostream out, std::string description)"""
12035 return _IMP_kernel._print_internal_help(out, description)
12041 class _PassThroughAction(argparse.Action):
12042 """Pass an argument through to the IMP Boost parser"""
12043 def __call__(self, parser, namespace, values, option_string=None):
12044 parser._boost_command_line.append(option_string)
12046 parser._boost_command_line.append(values)
12049 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12050 parser._handle_boost()
12054 """IMP-specific subclass of argparse.ArgumentParser.
12055 This adds options common to all IMP applications
12056 (see IMP::setup_from_argv()).
12059 def __init__(self, *args, **kwargs):
12061 kwargs[
'add_help'] =
False
12062 super().__init__(*args, **kwargs)
12063 for ntoken
in (0, 1):
12064 flags = _get_all_flags(ntoken)
12066 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12067 self.add_argument(*arg, help=argparse.SUPPRESS,
12068 nargs=
None if ntoken
else 0,
12069 action=_PassThroughAction,
12070 default=argparse.SUPPRESS)
12073 """Parse the command line and return optional and positional arguments.
12074 This functions in the same way as the method in the base class
12075 argparse.ArgumentParser, except that it also processes optional
12076 arguments common to all IMP applications (these are not returned
12077 in `args`, but can be obtained in the usual way, e.g. by calling
12078 IMP::get_string_flag()).
12081 self._boost_command_line = [sys.argv[0]]
12083 if len(self._boost_command_line) > 1:
12084 self._handle_boost()
12087 def _get_description(self):
12088 return self.format_help() +
"\nOptions common to all IMP applications:"
12090 def print_help(self, file=None):
12091 _print_internal_help(file
if file
else sys.stdout,
12092 self._get_description())
12094 def _handle_boost(self):
12096 self._get_description(),
12099 class RandomNumberGenerator(object):
12100 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12102 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12103 __repr__ = _swig_repr
12106 r"""seed(RandomNumberGenerator self, int x)"""
12107 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12109 def __call__(self):
12110 r"""__call__(RandomNumberGenerator self) -> int"""
12111 return _IMP_kernel.RandomNumberGenerator___call__(self)
12113 def get_state(self):
12114 r"""get_state(RandomNumberGenerator self) -> PyObject *"""
12115 return _IMP_kernel.RandomNumberGenerator_get_state(self)
12117 def set_state(self, p):
12118 r"""set_state(RandomNumberGenerator self, PyObject * p)"""
12119 return _IMP_kernel.RandomNumberGenerator_set_state(self, p)
12121 def __init__(self):
12122 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12123 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12124 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12127 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12131 get_random_float_uniform() -> float
12132 get_random_float_uniform(float min, float max) -> float
12134 return _IMP_kernel.get_random_float_uniform(*args)
12138 get_random_double_uniform() -> double
12139 get_random_double_uniform(double min, double max) -> double
12141 return _IMP_kernel.get_random_double_uniform(*args)
12143 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12144 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12145 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12147 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12148 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12149 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12151 def get_random_floats_uniform(n):
12152 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12153 return _IMP_kernel.get_random_floats_uniform(n)
12155 def get_random_doubles_uniform(n):
12156 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12157 return _IMP_kernel.get_random_doubles_uniform(n)
12160 r"""get_random_seed() -> boost::uint64_t"""
12161 return _IMP_kernel.get_random_seed()
12163 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12164 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12165 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12167 def _get_floats_numpy(m, k, m_pyobj, read_only):
12168 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12169 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12171 def _get_ints_numpy(m, k, m_pyobj, read_only):
12172 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12173 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12175 def _get_particle_indexes_numpy(m, k, m_pyobj, read_only):
12176 r"""_get_particle_indexes_numpy(Model m, ParticleIndexKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12177 return _IMP_kernel._get_particle_indexes_numpy(m, k, m_pyobj, read_only)
12179 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12180 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12181 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12183 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12184 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12185 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12187 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12188 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12189 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12191 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12192 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12193 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12195 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12196 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12197 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12199 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12200 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12201 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12203 def _get_spheres_numpy(m, m_pyobj, read_only):
12204 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12205 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12207 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12208 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12209 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12211 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12212 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12213 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12215 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12216 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12217 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12221 ParticleIndex = numpy.intc
12222 except ImportError:
12227 """Warning for incomplete JAX support or different behavior of JAX code"""
12231 def get_module_name():
12232 r"""get_module_name() -> std::string const"""
12233 return _IMP_kernel.get_module_name()
12236 r"""get_module_version() -> std::string const"""
12237 return _IMP_kernel.get_module_version()
12240 r"""get_example_path(std::string fname) -> std::string"""
12241 return _IMP_kernel.get_example_path(fname)
12244 r"""get_data_path(std::string fname) -> std::string"""
12245 return _IMP_kernel.get_data_path(fname)
12247 from .
import _version_check
12252 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.