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':
1371 type_name =
'_RestraintsScoringFunction'
1372 modobj = sys.modules[modname]
1373 clsobj = getattr(modobj, type_name)
1374 return clsobj.get_from(self)
1378 r"""__str__(Object self) -> std::string"""
1379 return _IMP_kernel.Object___str__(self)
1382 r"""__repr__(Object self) -> std::string"""
1383 return _IMP_kernel.Object___repr__(self)
1387 return _object_cast_to_Object(o)
1389 def __disown__(self):
1391 _IMP_kernel.disown_Object(self)
1392 return weakref.proxy(self)
1395 _IMP_kernel.Object_swigregister(Object)
1396 class SetLogState(_RAII):
1397 r"""Proxy of C++ IMP::SetLogState class."""
1399 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1402 r"""reset(SetLogState self)"""
1403 return _IMP_kernel.SetLogState_reset(self)
1404 __swig_destroy__ = _IMP_kernel.delete_SetLogState
1406 def show(self, *args):
1407 r"""show(SetLogState self, _ostream out=std::cout)"""
1408 return _IMP_kernel.SetLogState_show(self, *args)
1410 def __init__(self, *args):
1412 __init__(SetLogState self) -> SetLogState
1413 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
1414 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
1416 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
1418 def set(self, *args):
1420 set(SetLogState self, Object o, IMP::LogLevel l)
1421 set(SetLogState self, IMP::LogLevel l)
1423 return _IMP_kernel.SetLogState_set(self, *args)
1425 def __enter__(self):
1427 def __exit__(self, exc_type, exc_val, exc_tb):
1433 r"""__str__(SetLogState self) -> std::string"""
1434 return _IMP_kernel.SetLogState___str__(self)
1437 r"""__repr__(SetLogState self) -> std::string"""
1438 return _IMP_kernel.SetLogState___repr__(self)
1441 _IMP_kernel.SetLogState_swigregister(SetLogState)
1442 class WarningContext(object):
1443 r"""Proxy of C++ IMP::WarningContext class."""
1445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1446 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
1448 def add_warning(self, key, warning):
1449 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
1450 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
1452 def clear_warnings(self):
1453 r"""clear_warnings(WarningContext self)"""
1454 return _IMP_kernel.WarningContext_clear_warnings(self)
1456 def dump_warnings(self):
1457 r"""dump_warnings(WarningContext self)"""
1458 return _IMP_kernel.WarningContext_dump_warnings(self)
1459 __swig_destroy__ = _IMP_kernel.delete_WarningContext
1461 def show(self, *args):
1462 r"""show(WarningContext self, _ostream out=std::cout)"""
1463 return _IMP_kernel.WarningContext_show(self, *args)
1465 def __enter__(self):
1467 def __exit__(self, exc_type, exc_val, exc_tb):
1473 r"""__str__(WarningContext self) -> std::string"""
1474 return _IMP_kernel.WarningContext___str__(self)
1477 r"""__repr__(WarningContext self) -> std::string"""
1478 return _IMP_kernel.WarningContext___repr__(self)
1481 r"""__init__(WarningContext self) -> WarningContext"""
1482 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
1485 _IMP_kernel.WarningContext_swigregister(WarningContext)
1486 class CreateLogContext(_RAII):
1487 r"""Proxy of C++ IMP::CreateLogContext class."""
1489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1491 def __init__(self, *args):
1493 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
1494 __init__(CreateLogContext self) -> CreateLogContext
1495 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
1497 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
1499 def set(self, fname, object=None):
1500 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
1501 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1504 r"""reset(CreateLogContext self)"""
1505 return _IMP_kernel.CreateLogContext_reset(self)
1506 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1508 def show(self, *args):
1509 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1510 return _IMP_kernel.CreateLogContext_show(self, *args)
1512 def __enter__(self):
1514 def __exit__(self, exc_type, exc_val, exc_tb):
1520 r"""__str__(CreateLogContext self) -> std::string"""
1521 return _IMP_kernel.CreateLogContext___str__(self)
1524 r"""__repr__(CreateLogContext self) -> std::string"""
1525 return _IMP_kernel.CreateLogContext___repr__(self)
1528 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1529 class SetCheckState(_RAII):
1530 r"""Proxy of C++ IMP::SetCheckState class."""
1532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1535 r"""reset(SetCheckState self)"""
1536 return _IMP_kernel.SetCheckState_reset(self)
1537 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1539 def show(self, *args):
1540 r"""show(SetCheckState self, _ostream out=std::cout)"""
1541 return _IMP_kernel.SetCheckState_show(self, *args)
1543 def __init__(self, *args):
1545 __init__(SetCheckState self) -> SetCheckState
1546 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1547 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1549 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1551 def set(self, *args):
1553 set(SetCheckState self, Object o, IMP::CheckLevel l)
1554 set(SetCheckState self, IMP::CheckLevel l)
1556 return _IMP_kernel.SetCheckState_set(self, *args)
1558 def __enter__(self):
1560 def __exit__(self, exc_type, exc_val, exc_tb):
1566 r"""__str__(SetCheckState self) -> std::string"""
1567 return _IMP_kernel.SetCheckState___str__(self)
1570 r"""__repr__(SetCheckState self) -> std::string"""
1571 return _IMP_kernel.SetCheckState___repr__(self)
1574 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1577 r"""get_unique_name(std::string templ) -> std::string"""
1578 return _IMP_kernel.get_unique_name(templ)
1581 r"""get_copyright() -> std::string"""
1582 return _IMP_kernel.get_copyright()
1583 class _Protection(object):
1584 r"""Proxy of C++ IMP::internal::_Protection class."""
1586 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1588 def __init__(self, *args, **kwargs):
1589 raise AttributeError(
"No constructor defined")
1591 def show(self, *args):
1592 r"""show(_Protection self, _ostream out=std::cout)"""
1593 return _IMP_kernel._Protection_show(self, *args)
1596 r"""__str__(_Protection self) -> std::string"""
1597 return _IMP_kernel._Protection___str__(self)
1600 r"""__repr__(_Protection self) -> std::string"""
1601 return _IMP_kernel._Protection___repr__(self)
1602 __swig_destroy__ = _IMP_kernel.delete__Protection
1605 _IMP_kernel._Protection_swigregister(_Protection)
1609 return _IMP_kernel._test_log()
1611 def _test_intranges(ips):
1612 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1613 return _IMP_kernel._test_intranges(ips)
1615 def _test_intrange(*args):
1617 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1618 _test_intrange() -> IMP::IntRange
1620 return _IMP_kernel._test_intrange(*args)
1623 r"""_test_ifile(TextInput a) -> std::string"""
1624 return _IMP_kernel._test_ifile(a)
1627 r"""_test_ofile(TextOutput a) -> std::string"""
1628 return _IMP_kernel._test_ofile(a)
1630 def _test_ifile_overloaded(*args):
1632 _test_ifile_overloaded(TextInput a, int i) -> std::string
1633 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1635 return _IMP_kernel._test_ifile_overloaded(*args)
1637 def _test_ofile_overloaded(*args):
1639 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1640 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1642 return _IMP_kernel._test_ofile_overloaded(*args)
1643 class _TestValue(object):
1644 r"""Proxy of C++ IMP::internal::_TestValue class."""
1646 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1648 def __init__(self, i):
1649 r"""__init__(_TestValue self, int i) -> _TestValue"""
1650 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1652 def show(self, *args):
1653 r"""show(_TestValue self, _ostream out=std::cout)"""
1654 return _IMP_kernel._TestValue_show(self, *args)
1656 def __cmp__(self, o):
1657 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1658 return _IMP_kernel._TestValue___cmp__(self, o)
1660 def __eq__(self, o):
1661 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1662 return _IMP_kernel._TestValue___eq__(self, o)
1664 def __ne__(self, o):
1665 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1666 return _IMP_kernel._TestValue___ne__(self, o)
1668 def __lt__(self, o):
1669 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1670 return _IMP_kernel._TestValue___lt__(self, o)
1672 def __gt__(self, o):
1673 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1674 return _IMP_kernel._TestValue___gt__(self, o)
1676 def __ge__(self, o):
1677 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1678 return _IMP_kernel._TestValue___ge__(self, o)
1680 def __le__(self, o):
1681 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1682 return _IMP_kernel._TestValue___le__(self, o)
1685 r"""get(_TestValue self) -> int"""
1686 return _IMP_kernel._TestValue_get(self)
1688 def get_float(self):
1689 r"""get_float(_TestValue self) -> float const &"""
1690 return _IMP_kernel._TestValue_get_float(self)
1692 def get_double(self):
1693 r"""get_double(_TestValue self) -> double const &"""
1694 return _IMP_kernel._TestValue_get_double(self)
1696 def get_Float(self):
1697 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1698 return _IMP_kernel._TestValue_get_Float(self)
1701 r"""get_int(_TestValue self) -> int const &"""
1702 return _IMP_kernel._TestValue_get_int(self)
1705 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1706 return _IMP_kernel._TestValue_get_Int(self)
1708 def get_string(self):
1709 r"""get_string(_TestValue self) -> std::string const &"""
1710 return _IMP_kernel._TestValue_get_string(self)
1712 def get_String(self):
1713 r"""get_String(_TestValue self) -> IMP::String const &"""
1714 return _IMP_kernel._TestValue_get_String(self)
1717 r"""__str__(_TestValue self) -> std::string"""
1718 return _IMP_kernel._TestValue___str__(self)
1721 r"""__repr__(_TestValue self) -> std::string"""
1722 return _IMP_kernel._TestValue___repr__(self)
1723 __swig_destroy__ = _IMP_kernel.delete__TestValue
1726 _IMP_kernel._TestValue_swigregister(_TestValue)
1728 def _pass_plain_pair(p):
1729 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1730 return _IMP_kernel._pass_plain_pair(p)
1732 def _pass_overloaded_strings(*args):
1734 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1735 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1737 return _IMP_kernel._pass_overloaded_strings(*args)
1740 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1741 return _IMP_kernel._pass_pair(p)
1743 def _pass_floats(input):
1744 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1745 return _IMP_kernel._pass_floats(input)
1747 def _pass_ints(input):
1748 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1749 return _IMP_kernel._pass_ints(input)
1751 def _pass_ints_list(input):
1752 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1753 return _IMP_kernel._pass_ints_list(input)
1755 def _pass_ints_lists(input):
1756 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1757 return _IMP_kernel._pass_ints_lists(input)
1759 def _pass_strings(input):
1760 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1761 return _IMP_kernel._pass_strings(input)
1762 class _TestObject(
Object):
1763 r"""Proxy of C++ IMP::internal::_TestObject class."""
1765 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1768 r"""__init__(_TestObject self) -> _TestObject"""
1769 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1772 r"""get_version_info(_TestObject self) -> VersionInfo"""
1773 return _IMP_kernel._TestObject_get_version_info(self)
1774 __swig_destroy__ = _IMP_kernel.delete__TestObject
1777 r"""__str__(_TestObject self) -> std::string"""
1778 return _IMP_kernel._TestObject___str__(self)
1781 r"""__repr__(_TestObject self) -> std::string"""
1782 return _IMP_kernel._TestObject___repr__(self)
1786 return _object_cast_to__TestObject(o)
1790 _IMP_kernel._TestObject_swigregister(_TestObject)
1793 r"""get_live_object_names() -> IMP::Strings"""
1794 return _IMP_kernel.get_live_object_names()
1797 r"""get_live_objects() -> IMP::Objects"""
1798 return _IMP_kernel.get_live_objects()
1801 r"""set_show_leaked_objects(bool tf)"""
1802 return _IMP_kernel.set_show_leaked_objects(tf)
1805 r"""set_deprecation_warnings(bool tf)"""
1806 return _IMP_kernel.set_deprecation_warnings(tf)
1809 r"""set_deprecation_exceptions(bool tf)"""
1810 return _IMP_kernel.set_deprecation_exceptions(tf)
1813 r"""get_deprecation_exceptions() -> bool"""
1814 return _IMP_kernel.get_deprecation_exceptions()
1817 r"""handle_use_deprecated(std::string message)"""
1818 return _IMP_kernel.handle_use_deprecated(message)
1821 r"""get_number_of_threads() -> unsigned int"""
1822 return _IMP_kernel.get_number_of_threads()
1825 r"""set_number_of_threads(unsigned int n)"""
1826 return _IMP_kernel.set_number_of_threads(n)
1827 class SetNumberOfThreads(_RAII):
1828 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1832 def __init__(self, *args):
1834 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1835 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1837 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1840 r"""set(SetNumberOfThreads self, unsigned int n)"""
1841 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1844 r"""reset(SetNumberOfThreads self)"""
1845 return _IMP_kernel.SetNumberOfThreads_reset(self)
1846 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1848 def show(self, *args):
1849 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1850 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1852 def __enter__(self):
1854 def __exit__(self, exc_type, exc_val, exc_tb):
1860 r"""__str__(SetNumberOfThreads self) -> std::string"""
1861 return _IMP_kernel.SetNumberOfThreads___str__(self)
1864 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1865 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1868 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1871 i_m_p=
"IMP_MODULE_PATH"
1872 if i_m_p
in os.environ.keys():
1873 __path__.insert(0, os.environ[i_m_p])
1875 def _forward_add_attribute(self, name, value, opt=None):
1877 self.get_particle().add_attribute(name, value, opt)
1879 self.get_particle().add_attribute(name, value)
1880 def _forward_get_value(self, name):
1881 self.get_particle().get_value(name)
1882 def _forward_set_value(self, name, value):
1883 self.get_particle().set_value(name, value)
1889 _object_types.append(
"Constraint")
1892 def _object_cast_to_Constraint(o):
1893 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1894 return _IMP_kernel._object_cast_to_Constraint(o)
1896 _object_types.append(
"Undecorator")
1899 def _object_cast_to_Undecorator(o):
1900 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1901 return _IMP_kernel._object_cast_to_Undecorator(o)
1903 _object_types.append(
"Container")
1906 def _object_cast_to_Container(o):
1907 r"""_object_cast_to_Container(Object o) -> Container"""
1908 return _IMP_kernel._object_cast_to_Container(o)
1910 _object_types.append(
"Optimizer")
1913 def _object_cast_to_Optimizer(o):
1914 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1915 return _IMP_kernel._object_cast_to_Optimizer(o)
1917 _object_types.append(
"AttributeOptimizer")
1920 def _object_cast_to_AttributeOptimizer(o):
1921 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1922 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1924 _object_types.append(
"OptimizerState")
1927 def _object_cast_to_OptimizerState(o):
1928 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1929 return _IMP_kernel._object_cast_to_OptimizerState(o)
1931 _object_types.append(
"PairContainer")
1934 def _object_cast_to_PairContainer(o):
1935 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1936 return _IMP_kernel._object_cast_to_PairContainer(o)
1938 _object_types.append(
"PairModifier")
1941 def _object_cast_to_PairModifier(o):
1942 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1943 return _IMP_kernel._object_cast_to_PairModifier(o)
1945 _object_types.append(
"PairScore")
1948 def _object_cast_to_PairScore(o):
1949 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1950 return _IMP_kernel._object_cast_to_PairScore(o)
1952 _object_types.append(
"QuadContainer")
1955 def _object_cast_to_QuadContainer(o):
1956 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1957 return _IMP_kernel._object_cast_to_QuadContainer(o)
1959 _object_types.append(
"QuadModifier")
1962 def _object_cast_to_QuadModifier(o):
1963 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1964 return _IMP_kernel._object_cast_to_QuadModifier(o)
1966 _object_types.append(
"QuadScore")
1969 def _object_cast_to_QuadScore(o):
1970 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1971 return _IMP_kernel._object_cast_to_QuadScore(o)
1973 _object_types.append(
"Refiner")
1976 def _object_cast_to_Refiner(o):
1977 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1978 return _IMP_kernel._object_cast_to_Refiner(o)
1980 _object_types.append(
"Restraint")
1983 def _object_cast_to_Restraint(o):
1984 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1985 return _IMP_kernel._object_cast_to_Restraint(o)
1987 _object_types.append(
"Sampler")
1990 def _object_cast_to_Sampler(o):
1991 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1992 return _IMP_kernel._object_cast_to_Sampler(o)
1994 _object_types.append(
"ScoreState")
1997 def _object_cast_to_ScoreState(o):
1998 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1999 return _IMP_kernel._object_cast_to_ScoreState(o)
2001 _object_types.append(
"SingletonContainer")
2004 def _object_cast_to_SingletonContainer(o):
2005 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
2006 return _IMP_kernel._object_cast_to_SingletonContainer(o)
2008 _object_types.append(
"SingletonModifier")
2011 def _object_cast_to_SingletonModifier(o):
2012 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
2013 return _IMP_kernel._object_cast_to_SingletonModifier(o)
2015 _object_types.append(
"SingletonScore")
2018 def _object_cast_to_SingletonScore(o):
2019 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
2020 return _IMP_kernel._object_cast_to_SingletonScore(o)
2022 _object_types.append(
"TripletContainer")
2025 def _object_cast_to_TripletContainer(o):
2026 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
2027 return _IMP_kernel._object_cast_to_TripletContainer(o)
2029 _object_types.append(
"TripletModifier")
2032 def _object_cast_to_TripletModifier(o):
2033 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
2034 return _IMP_kernel._object_cast_to_TripletModifier(o)
2036 _object_types.append(
"TripletScore")
2039 def _object_cast_to_TripletScore(o):
2040 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
2041 return _IMP_kernel._object_cast_to_TripletScore(o)
2043 _object_types.append(
"UnaryFunction")
2046 def _object_cast_to_UnaryFunction(o):
2047 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
2048 return _IMP_kernel._object_cast_to_UnaryFunction(o)
2050 _object_types.append(
"RestraintInfo")
2053 def _object_cast_to_RestraintInfo(o):
2054 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
2055 return _IMP_kernel._object_cast_to_RestraintInfo(o)
2057 _object_types.append(
"ConfigurationSet")
2060 def _object_cast_to_ConfigurationSet(o):
2061 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
2062 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
2064 _object_types.append(
"Configuration")
2067 def _object_cast_to_Configuration(o):
2068 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
2069 return _IMP_kernel._object_cast_to_Configuration(o)
2071 _object_types.append(
"Model")
2074 def _object_cast_to_Model(o):
2075 r"""_object_cast_to_Model(Object o) -> Model"""
2076 return _IMP_kernel._object_cast_to_Model(o)
2078 _object_types.append(
"Particle")
2081 def _object_cast_to_Particle(o):
2082 r"""_object_cast_to_Particle(Object o) -> Particle"""
2083 return _IMP_kernel._object_cast_to_Particle(o)
2085 _object_types.append(
"RestraintSet")
2088 def _object_cast_to_RestraintSet(o):
2089 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
2090 return _IMP_kernel._object_cast_to_RestraintSet(o)
2092 ParticlePairsTemp=list
2093 _plural_types.append(
"ParticlePairsTemp")
2094 _value_types.append(
"ParticlePair")
2097 ParticleTripletsTemp=list
2098 _plural_types.append(
"ParticleTripletsTemp")
2099 _value_types.append(
"ParticleTriplet")
2102 ParticleQuadsTemp=list
2103 _plural_types.append(
"ParticleQuadsTemp")
2104 _value_types.append(
"ParticleQuad")
2107 ParticleIndexPairs=list
2108 _plural_types.append(
"ParticleIndexPairs")
2109 _value_types.append(
"ParticleIndexPair")
2112 ParticleIndexTriplets=list
2113 _plural_types.append(
"ParticleIndexTriplets")
2114 _value_types.append(
"ParticleIndexTriplet")
2117 ParticleIndexQuads=list
2118 _plural_types.append(
"ParticleIndexQuads")
2119 _value_types.append(
"ParticleIndexQuad")
2122 _object_types.append(
"SingletonPredicate")
2125 def _object_cast_to_SingletonPredicate(o):
2126 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
2127 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
2129 _object_types.append(
"PairPredicate")
2132 def _object_cast_to_PairPredicate(o):
2133 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
2134 return _IMP_kernel._object_cast_to_PairPredicate(o)
2136 _object_types.append(
"TripletPredicate")
2139 def _object_cast_to_TripletPredicate(o):
2140 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
2141 return _IMP_kernel._object_cast_to_TripletPredicate(o)
2143 _object_types.append(
"QuadPredicate")
2146 def _object_cast_to_QuadPredicate(o):
2147 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
2148 return _IMP_kernel._object_cast_to_QuadPredicate(o)
2150 _object_types.append(
"SaveToConfigurationSetOptimizerState")
2153 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
2154 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
2155 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
2157 EvaluationStates=list
2158 _plural_types.append(
"EvaluationStates")
2159 _value_types.append(
"EvaluationState")
2162 ScoreAccumulators=list
2163 _plural_types.append(
"ScoreAccumulators")
2164 _value_types.append(
"ScoreAccumulator")
2167 ParticleIndexes=list
2168 _plural_types.append(
"ParticleIndexes")
2169 _value_types.append(
"ParticleIndex")
2173 _plural_types.append(
"FloatIndexes")
2174 _value_types.append(
"FloatIndex")
2178 _plural_types.append(
"FloatKeys")
2179 _value_types.append(
"FloatKey")
2183 _plural_types.append(
"FloatsKeys")
2184 _value_types.append(
"FloatsKey")
2188 _plural_types.append(
"IntKeys")
2189 _value_types.append(
"IntKey")
2193 _plural_types.append(
"IntsKeys")
2194 _value_types.append(
"IntsKey")
2198 _plural_types.append(
"StringKeys")
2199 _value_types.append(
"StringKey")
2202 ParticleIndexKeys=list
2203 _plural_types.append(
"ParticleIndexKeys")
2204 _value_types.append(
"ParticleIndexKey")
2207 ParticleIndexesKeys=list
2208 _plural_types.append(
"ParticleIndexesKeys")
2209 _value_types.append(
"ParticleIndexesKey")
2213 _plural_types.append(
"ObjectKeys")
2214 _value_types.append(
"ObjectKey")
2218 _plural_types.append(
"ModelKeys")
2219 _value_types.append(
"ModelKey")
2223 _plural_types.append(
"TriggerKeys")
2224 _value_types.append(
"TriggerKey")
2227 SparseFloatKeys=list
2228 _plural_types.append(
"SparseFloatKeys")
2229 _value_types.append(
"SparseFloatKey")
2233 _plural_types.append(
"SparseIntKeys")
2234 _value_types.append(
"SparseIntKey")
2237 SparseStringKeys=list
2238 _plural_types.append(
"SparseStringKeys")
2239 _value_types.append(
"SparseStringKey")
2242 SparseParticleIndexKeys=list
2243 _plural_types.append(
"SparseParticleIndexKeys")
2244 _value_types.append(
"SparseParticleIndexKey")
2248 _plural_types.append(
"Vector3DKeys")
2249 _value_types.append(
"Vector3DKey")
2253 _plural_types.append(
"Vector4DKeys")
2254 _value_types.append(
"Vector4DKey")
2257 Vector3DDerivKeys=list
2258 _plural_types.append(
"Vector3DDerivKeys")
2259 _value_types.append(
"Vector3DDerivKey")
2262 Vector4DDerivKeys=list
2263 _plural_types.append(
"Vector4DDerivKeys")
2264 _value_types.append(
"Vector4DDerivKey")
2267 _raii_types.append(
"ScopedSetFloatAttribute")
2270 _object_types.append(
"ScoringFunction")
2273 def _object_cast_to_ScoringFunction(o):
2274 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
2275 return _IMP_kernel._object_cast_to_ScoringFunction(o)
2277 _object_types.append(
"ModelObject")
2280 def _object_cast_to_ModelObject(o):
2281 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
2282 return _IMP_kernel._object_cast_to_ModelObject(o)
2284 _object_types.append(
"_RestraintsScoringFunction")
2287 def _object_cast_to__RestraintsScoringFunction(o):
2288 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
2289 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
2291 def _TrivialDecorators(l=[]):
2292 return [_TrivialDecorator(x)
for x
in l]
2293 _plural_types.append(
"_TrivialDecorators")
2296 _value_types.append(
"_TrivialDecorator")
2299 def _TrivialDerivedDecorators(l=[]):
2300 return [_TrivialDerivedDecorator(x)
for x
in l]
2301 _plural_types.append(
"_TrivialDerivedDecorators")
2304 _value_types.append(
"_TrivialDerivedDecorator")
2307 def _TrivialTraitsDecorators(l=[]):
2308 return [_TrivialTraitsDecorator(x)
for x
in l]
2309 _plural_types.append(
"_TrivialTraitsDecorators")
2312 _value_types.append(
"_TrivialTraitsDecorator")
2315 _object_types.append(
"_ConstRestraint")
2318 def _object_cast_to__ConstRestraint(o):
2319 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
2320 return _IMP_kernel._object_cast_to__ConstRestraint(o)
2322 _object_types.append(
"_ConstOptimizer")
2325 def _object_cast_to__ConstOptimizer(o):
2326 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
2327 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
2329 _object_types.append(
"_ConstSingletonScore")
2332 def _object_cast_to__ConstSingletonScore(o):
2333 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
2334 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
2336 _object_types.append(
"_ConstPairScore")
2339 def _object_cast_to__ConstPairScore(o):
2340 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
2341 return _IMP_kernel._object_cast_to__ConstPairScore(o)
2343 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
2345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2346 __repr__ = _swig_repr
2349 r"""__init__(DependencyGraph self) -> DependencyGraph"""
2350 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
2352 def get_graph(self):
2353 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
2354 return _IMP_kernel.DependencyGraph_get_graph(self)
2357 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2358 return _IMP_kernel.DependencyGraph_get_vertices(self)
2360 def get_vertex_name(self, i):
2361 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
2362 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
2364 def get_in_neighbors(self, v):
2365 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"""
2366 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
2368 def get_out_neighbors(self, v):
2369 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"""
2370 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
2373 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
2374 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
2376 def get_graphviz_string(self):
2377 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
2378 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
2380 def add_edge(self, v0, v1):
2381 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)"""
2382 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
2384 def add_vertex(self, l):
2385 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
2386 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
2388 def remove_vertex(self, l):
2389 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
2390 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
2391 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
2394 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
2396 _value_types.append(
"DependencyGraph")
2399 r"""Proxy of C++ IMP::Key< 0 > class."""
2401 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2403 def __init__(self, *args):
2405 __init__(FloatKey self) -> FloatKey
2406 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
2407 __init__(FloatKey self, unsigned int i) -> FloatKey
2409 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
2413 r"""add_key(std::string sc) -> unsigned int"""
2414 return _IMP_kernel.FloatKey_add_key(sc)
2417 def get_key_exists(sc):
2418 r"""get_key_exists(std::string sc) -> bool"""
2419 return _IMP_kernel.FloatKey_get_key_exists(sc)
2421 def get_string(self):
2422 r"""get_string(FloatKey self) -> std::string const"""
2423 return _IMP_kernel.FloatKey_get_string(self)
2425 def __cmp__(self, o):
2426 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
2427 return _IMP_kernel.FloatKey___cmp__(self, o)
2429 def __eq__(self, o):
2430 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
2431 return _IMP_kernel.FloatKey___eq__(self, o)
2433 def __ne__(self, o):
2434 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
2435 return _IMP_kernel.FloatKey___ne__(self, o)
2437 def __lt__(self, o):
2438 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
2439 return _IMP_kernel.FloatKey___lt__(self, o)
2441 def __gt__(self, o):
2442 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
2443 return _IMP_kernel.FloatKey___gt__(self, o)
2445 def __ge__(self, o):
2446 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
2447 return _IMP_kernel.FloatKey___ge__(self, o)
2449 def __le__(self, o):
2450 r"""__le__(FloatKey self, FloatKey o) -> bool"""
2451 return _IMP_kernel.FloatKey___le__(self, o)
2454 r"""__hash__(FloatKey self) -> std::size_t"""
2455 return _IMP_kernel.FloatKey___hash__(self)
2457 def show(self, *args):
2458 r"""show(FloatKey self, _ostream out=std::cout)"""
2459 return _IMP_kernel.FloatKey_show(self, *args)
2462 def add_alias(old_key, new_name):
2463 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
2464 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
2467 def get_number_of_keys():
2468 r"""get_number_of_keys() -> unsigned int"""
2469 return _IMP_kernel.FloatKey_get_number_of_keys()
2472 r"""get_index(FloatKey self) -> unsigned int"""
2473 return _IMP_kernel.FloatKey_get_index(self)
2477 r"""show_all(_ostream out)"""
2478 return _IMP_kernel.FloatKey_show_all(out)
2481 def get_all_strings():
2482 r"""get_all_strings() -> IMP::Vector< std::string >"""
2483 return _IMP_kernel.FloatKey_get_all_strings()
2486 def get_number_unique():
2487 r"""get_number_unique() -> unsigned int"""
2488 return _IMP_kernel.FloatKey_get_number_unique()
2491 r"""__str__(FloatKey self) -> std::string"""
2492 return _IMP_kernel.FloatKey___str__(self)
2495 r"""__repr__(FloatKey self) -> std::string"""
2496 return _IMP_kernel.FloatKey___repr__(self)
2497 __swig_destroy__ = _IMP_kernel.delete_FloatKey
2500 _IMP_kernel.FloatKey_swigregister(FloatKey)
2502 r"""Proxy of C++ IMP::Key< 1 > class."""
2504 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2506 def __init__(self, *args):
2508 __init__(IntKey self) -> IntKey
2509 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
2510 __init__(IntKey self, unsigned int i) -> IntKey
2512 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
2516 r"""add_key(std::string sc) -> unsigned int"""
2517 return _IMP_kernel.IntKey_add_key(sc)
2520 def get_key_exists(sc):
2521 r"""get_key_exists(std::string sc) -> bool"""
2522 return _IMP_kernel.IntKey_get_key_exists(sc)
2524 def get_string(self):
2525 r"""get_string(IntKey self) -> std::string const"""
2526 return _IMP_kernel.IntKey_get_string(self)
2528 def __cmp__(self, o):
2529 r"""__cmp__(IntKey self, IntKey o) -> int"""
2530 return _IMP_kernel.IntKey___cmp__(self, o)
2532 def __eq__(self, o):
2533 r"""__eq__(IntKey self, IntKey o) -> bool"""
2534 return _IMP_kernel.IntKey___eq__(self, o)
2536 def __ne__(self, o):
2537 r"""__ne__(IntKey self, IntKey o) -> bool"""
2538 return _IMP_kernel.IntKey___ne__(self, o)
2540 def __lt__(self, o):
2541 r"""__lt__(IntKey self, IntKey o) -> bool"""
2542 return _IMP_kernel.IntKey___lt__(self, o)
2544 def __gt__(self, o):
2545 r"""__gt__(IntKey self, IntKey o) -> bool"""
2546 return _IMP_kernel.IntKey___gt__(self, o)
2548 def __ge__(self, o):
2549 r"""__ge__(IntKey self, IntKey o) -> bool"""
2550 return _IMP_kernel.IntKey___ge__(self, o)
2552 def __le__(self, o):
2553 r"""__le__(IntKey self, IntKey o) -> bool"""
2554 return _IMP_kernel.IntKey___le__(self, o)
2557 r"""__hash__(IntKey self) -> std::size_t"""
2558 return _IMP_kernel.IntKey___hash__(self)
2560 def show(self, *args):
2561 r"""show(IntKey self, _ostream out=std::cout)"""
2562 return _IMP_kernel.IntKey_show(self, *args)
2565 def add_alias(old_key, new_name):
2566 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2567 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2570 def get_number_of_keys():
2571 r"""get_number_of_keys() -> unsigned int"""
2572 return _IMP_kernel.IntKey_get_number_of_keys()
2575 r"""get_index(IntKey self) -> unsigned int"""
2576 return _IMP_kernel.IntKey_get_index(self)
2580 r"""show_all(_ostream out)"""
2581 return _IMP_kernel.IntKey_show_all(out)
2584 def get_all_strings():
2585 r"""get_all_strings() -> IMP::Vector< std::string >"""
2586 return _IMP_kernel.IntKey_get_all_strings()
2589 def get_number_unique():
2590 r"""get_number_unique() -> unsigned int"""
2591 return _IMP_kernel.IntKey_get_number_unique()
2594 r"""__str__(IntKey self) -> std::string"""
2595 return _IMP_kernel.IntKey___str__(self)
2598 r"""__repr__(IntKey self) -> std::string"""
2599 return _IMP_kernel.IntKey___repr__(self)
2600 __swig_destroy__ = _IMP_kernel.delete_IntKey
2603 _IMP_kernel.IntKey_swigregister(IntKey)
2605 r"""Proxy of C++ IMP::Key< 2 > class."""
2607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2609 def __init__(self, *args):
2611 __init__(StringKey self) -> StringKey
2612 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2613 __init__(StringKey self, unsigned int i) -> StringKey
2615 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2619 r"""add_key(std::string sc) -> unsigned int"""
2620 return _IMP_kernel.StringKey_add_key(sc)
2623 def get_key_exists(sc):
2624 r"""get_key_exists(std::string sc) -> bool"""
2625 return _IMP_kernel.StringKey_get_key_exists(sc)
2627 def get_string(self):
2628 r"""get_string(StringKey self) -> std::string const"""
2629 return _IMP_kernel.StringKey_get_string(self)
2631 def __cmp__(self, o):
2632 r"""__cmp__(StringKey self, StringKey o) -> int"""
2633 return _IMP_kernel.StringKey___cmp__(self, o)
2635 def __eq__(self, o):
2636 r"""__eq__(StringKey self, StringKey o) -> bool"""
2637 return _IMP_kernel.StringKey___eq__(self, o)
2639 def __ne__(self, o):
2640 r"""__ne__(StringKey self, StringKey o) -> bool"""
2641 return _IMP_kernel.StringKey___ne__(self, o)
2643 def __lt__(self, o):
2644 r"""__lt__(StringKey self, StringKey o) -> bool"""
2645 return _IMP_kernel.StringKey___lt__(self, o)
2647 def __gt__(self, o):
2648 r"""__gt__(StringKey self, StringKey o) -> bool"""
2649 return _IMP_kernel.StringKey___gt__(self, o)
2651 def __ge__(self, o):
2652 r"""__ge__(StringKey self, StringKey o) -> bool"""
2653 return _IMP_kernel.StringKey___ge__(self, o)
2655 def __le__(self, o):
2656 r"""__le__(StringKey self, StringKey o) -> bool"""
2657 return _IMP_kernel.StringKey___le__(self, o)
2660 r"""__hash__(StringKey self) -> std::size_t"""
2661 return _IMP_kernel.StringKey___hash__(self)
2663 def show(self, *args):
2664 r"""show(StringKey self, _ostream out=std::cout)"""
2665 return _IMP_kernel.StringKey_show(self, *args)
2668 def add_alias(old_key, new_name):
2669 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2670 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2673 def get_number_of_keys():
2674 r"""get_number_of_keys() -> unsigned int"""
2675 return _IMP_kernel.StringKey_get_number_of_keys()
2678 r"""get_index(StringKey self) -> unsigned int"""
2679 return _IMP_kernel.StringKey_get_index(self)
2683 r"""show_all(_ostream out)"""
2684 return _IMP_kernel.StringKey_show_all(out)
2687 def get_all_strings():
2688 r"""get_all_strings() -> IMP::Vector< std::string >"""
2689 return _IMP_kernel.StringKey_get_all_strings()
2692 def get_number_unique():
2693 r"""get_number_unique() -> unsigned int"""
2694 return _IMP_kernel.StringKey_get_number_unique()
2697 r"""__str__(StringKey self) -> std::string"""
2698 return _IMP_kernel.StringKey___str__(self)
2701 r"""__repr__(StringKey self) -> std::string"""
2702 return _IMP_kernel.StringKey___repr__(self)
2703 __swig_destroy__ = _IMP_kernel.delete_StringKey
2706 _IMP_kernel.StringKey_swigregister(StringKey)
2708 r"""Proxy of C++ IMP::Key< 3 > class."""
2710 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2712 def __init__(self, *args):
2714 __init__(ParticleIndexKey self) -> ParticleIndexKey
2715 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2716 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2718 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2722 r"""add_key(std::string sc) -> unsigned int"""
2723 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2726 def get_key_exists(sc):
2727 r"""get_key_exists(std::string sc) -> bool"""
2728 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2730 def get_string(self):
2731 r"""get_string(ParticleIndexKey self) -> std::string const"""
2732 return _IMP_kernel.ParticleIndexKey_get_string(self)
2734 def __cmp__(self, o):
2735 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2736 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2738 def __eq__(self, o):
2739 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2740 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2742 def __ne__(self, o):
2743 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2744 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2746 def __lt__(self, o):
2747 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2748 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2750 def __gt__(self, o):
2751 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2752 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2754 def __ge__(self, o):
2755 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2756 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2758 def __le__(self, o):
2759 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2760 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2763 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2764 return _IMP_kernel.ParticleIndexKey___hash__(self)
2766 def show(self, *args):
2767 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2768 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2771 def add_alias(old_key, new_name):
2772 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2773 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2776 def get_number_of_keys():
2777 r"""get_number_of_keys() -> unsigned int"""
2778 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2781 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2782 return _IMP_kernel.ParticleIndexKey_get_index(self)
2786 r"""show_all(_ostream out)"""
2787 return _IMP_kernel.ParticleIndexKey_show_all(out)
2790 def get_all_strings():
2791 r"""get_all_strings() -> IMP::Vector< std::string >"""
2792 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2795 def get_number_unique():
2796 r"""get_number_unique() -> unsigned int"""
2797 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2800 r"""__str__(ParticleIndexKey self) -> std::string"""
2801 return _IMP_kernel.ParticleIndexKey___str__(self)
2804 r"""__repr__(ParticleIndexKey self) -> std::string"""
2805 return _IMP_kernel.ParticleIndexKey___repr__(self)
2806 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2809 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2811 r"""Proxy of C++ IMP::Key< 4 > class."""
2813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2815 def __init__(self, *args):
2817 __init__(ObjectKey self) -> ObjectKey
2818 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2819 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2821 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2825 r"""add_key(std::string sc) -> unsigned int"""
2826 return _IMP_kernel.ObjectKey_add_key(sc)
2829 def get_key_exists(sc):
2830 r"""get_key_exists(std::string sc) -> bool"""
2831 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2833 def get_string(self):
2834 r"""get_string(ObjectKey self) -> std::string const"""
2835 return _IMP_kernel.ObjectKey_get_string(self)
2837 def __cmp__(self, o):
2838 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2839 return _IMP_kernel.ObjectKey___cmp__(self, o)
2841 def __eq__(self, o):
2842 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2843 return _IMP_kernel.ObjectKey___eq__(self, o)
2845 def __ne__(self, o):
2846 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2847 return _IMP_kernel.ObjectKey___ne__(self, o)
2849 def __lt__(self, o):
2850 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2851 return _IMP_kernel.ObjectKey___lt__(self, o)
2853 def __gt__(self, o):
2854 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2855 return _IMP_kernel.ObjectKey___gt__(self, o)
2857 def __ge__(self, o):
2858 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2859 return _IMP_kernel.ObjectKey___ge__(self, o)
2861 def __le__(self, o):
2862 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2863 return _IMP_kernel.ObjectKey___le__(self, o)
2866 r"""__hash__(ObjectKey self) -> std::size_t"""
2867 return _IMP_kernel.ObjectKey___hash__(self)
2869 def show(self, *args):
2870 r"""show(ObjectKey self, _ostream out=std::cout)"""
2871 return _IMP_kernel.ObjectKey_show(self, *args)
2874 def add_alias(old_key, new_name):
2875 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2876 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2879 def get_number_of_keys():
2880 r"""get_number_of_keys() -> unsigned int"""
2881 return _IMP_kernel.ObjectKey_get_number_of_keys()
2884 r"""get_index(ObjectKey self) -> unsigned int"""
2885 return _IMP_kernel.ObjectKey_get_index(self)
2889 r"""show_all(_ostream out)"""
2890 return _IMP_kernel.ObjectKey_show_all(out)
2893 def get_all_strings():
2894 r"""get_all_strings() -> IMP::Vector< std::string >"""
2895 return _IMP_kernel.ObjectKey_get_all_strings()
2898 def get_number_unique():
2899 r"""get_number_unique() -> unsigned int"""
2900 return _IMP_kernel.ObjectKey_get_number_unique()
2903 r"""__str__(ObjectKey self) -> std::string"""
2904 return _IMP_kernel.ObjectKey___str__(self)
2907 r"""__repr__(ObjectKey self) -> std::string"""
2908 return _IMP_kernel.ObjectKey___repr__(self)
2909 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2912 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2914 r"""Proxy of C++ IMP::Key< 5 > class."""
2916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2918 def __init__(self, *args):
2920 __init__(IntsKey self) -> IntsKey
2921 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2922 __init__(IntsKey self, unsigned int i) -> IntsKey
2924 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2928 r"""add_key(std::string sc) -> unsigned int"""
2929 return _IMP_kernel.IntsKey_add_key(sc)
2932 def get_key_exists(sc):
2933 r"""get_key_exists(std::string sc) -> bool"""
2934 return _IMP_kernel.IntsKey_get_key_exists(sc)
2936 def get_string(self):
2937 r"""get_string(IntsKey self) -> std::string const"""
2938 return _IMP_kernel.IntsKey_get_string(self)
2940 def __cmp__(self, o):
2941 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2942 return _IMP_kernel.IntsKey___cmp__(self, o)
2944 def __eq__(self, o):
2945 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2946 return _IMP_kernel.IntsKey___eq__(self, o)
2948 def __ne__(self, o):
2949 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2950 return _IMP_kernel.IntsKey___ne__(self, o)
2952 def __lt__(self, o):
2953 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2954 return _IMP_kernel.IntsKey___lt__(self, o)
2956 def __gt__(self, o):
2957 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2958 return _IMP_kernel.IntsKey___gt__(self, o)
2960 def __ge__(self, o):
2961 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2962 return _IMP_kernel.IntsKey___ge__(self, o)
2964 def __le__(self, o):
2965 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2966 return _IMP_kernel.IntsKey___le__(self, o)
2969 r"""__hash__(IntsKey self) -> std::size_t"""
2970 return _IMP_kernel.IntsKey___hash__(self)
2972 def show(self, *args):
2973 r"""show(IntsKey self, _ostream out=std::cout)"""
2974 return _IMP_kernel.IntsKey_show(self, *args)
2977 def add_alias(old_key, new_name):
2978 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2979 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2982 def get_number_of_keys():
2983 r"""get_number_of_keys() -> unsigned int"""
2984 return _IMP_kernel.IntsKey_get_number_of_keys()
2987 r"""get_index(IntsKey self) -> unsigned int"""
2988 return _IMP_kernel.IntsKey_get_index(self)
2992 r"""show_all(_ostream out)"""
2993 return _IMP_kernel.IntsKey_show_all(out)
2996 def get_all_strings():
2997 r"""get_all_strings() -> IMP::Vector< std::string >"""
2998 return _IMP_kernel.IntsKey_get_all_strings()
3001 def get_number_unique():
3002 r"""get_number_unique() -> unsigned int"""
3003 return _IMP_kernel.IntsKey_get_number_unique()
3006 r"""__str__(IntsKey self) -> std::string"""
3007 return _IMP_kernel.IntsKey___str__(self)
3010 r"""__repr__(IntsKey self) -> std::string"""
3011 return _IMP_kernel.IntsKey___repr__(self)
3012 __swig_destroy__ = _IMP_kernel.delete_IntsKey
3015 _IMP_kernel.IntsKey_swigregister(IntsKey)
3017 r"""Proxy of C++ IMP::Key< 6 > class."""
3019 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3021 def __init__(self, *args):
3023 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
3024 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
3025 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
3027 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
3031 r"""add_key(std::string sc) -> unsigned int"""
3032 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
3035 def get_key_exists(sc):
3036 r"""get_key_exists(std::string sc) -> bool"""
3037 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
3039 def get_string(self):
3040 r"""get_string(ParticleIndexesKey self) -> std::string const"""
3041 return _IMP_kernel.ParticleIndexesKey_get_string(self)
3043 def __cmp__(self, o):
3044 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
3045 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
3047 def __eq__(self, o):
3048 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3049 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
3051 def __ne__(self, o):
3052 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3053 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
3055 def __lt__(self, o):
3056 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3057 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
3059 def __gt__(self, o):
3060 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3061 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
3063 def __ge__(self, o):
3064 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3065 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
3067 def __le__(self, o):
3068 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3069 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
3072 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
3073 return _IMP_kernel.ParticleIndexesKey___hash__(self)
3075 def show(self, *args):
3076 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
3077 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
3080 def add_alias(old_key, new_name):
3081 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
3082 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
3085 def get_number_of_keys():
3086 r"""get_number_of_keys() -> unsigned int"""
3087 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
3090 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
3091 return _IMP_kernel.ParticleIndexesKey_get_index(self)
3095 r"""show_all(_ostream out)"""
3096 return _IMP_kernel.ParticleIndexesKey_show_all(out)
3099 def get_all_strings():
3100 r"""get_all_strings() -> IMP::Vector< std::string >"""
3101 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
3104 def get_number_unique():
3105 r"""get_number_unique() -> unsigned int"""
3106 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
3109 r"""__str__(ParticleIndexesKey self) -> std::string"""
3110 return _IMP_kernel.ParticleIndexesKey___str__(self)
3113 r"""__repr__(ParticleIndexesKey self) -> std::string"""
3114 return _IMP_kernel.ParticleIndexesKey___repr__(self)
3115 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
3118 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
3120 r"""Proxy of C++ IMP::Key< 8 > class."""
3122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3124 def __init__(self, *args):
3126 __init__(ModelKey self) -> ModelKey
3127 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
3128 __init__(ModelKey self, unsigned int i) -> ModelKey
3130 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
3134 r"""add_key(std::string sc) -> unsigned int"""
3135 return _IMP_kernel.ModelKey_add_key(sc)
3138 def get_key_exists(sc):
3139 r"""get_key_exists(std::string sc) -> bool"""
3140 return _IMP_kernel.ModelKey_get_key_exists(sc)
3142 def get_string(self):
3143 r"""get_string(ModelKey self) -> std::string const"""
3144 return _IMP_kernel.ModelKey_get_string(self)
3146 def __cmp__(self, o):
3147 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
3148 return _IMP_kernel.ModelKey___cmp__(self, o)
3150 def __eq__(self, o):
3151 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
3152 return _IMP_kernel.ModelKey___eq__(self, o)
3154 def __ne__(self, o):
3155 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
3156 return _IMP_kernel.ModelKey___ne__(self, o)
3158 def __lt__(self, o):
3159 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
3160 return _IMP_kernel.ModelKey___lt__(self, o)
3162 def __gt__(self, o):
3163 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
3164 return _IMP_kernel.ModelKey___gt__(self, o)
3166 def __ge__(self, o):
3167 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
3168 return _IMP_kernel.ModelKey___ge__(self, o)
3170 def __le__(self, o):
3171 r"""__le__(ModelKey self, ModelKey o) -> bool"""
3172 return _IMP_kernel.ModelKey___le__(self, o)
3175 r"""__hash__(ModelKey self) -> std::size_t"""
3176 return _IMP_kernel.ModelKey___hash__(self)
3178 def show(self, *args):
3179 r"""show(ModelKey self, _ostream out=std::cout)"""
3180 return _IMP_kernel.ModelKey_show(self, *args)
3183 def add_alias(old_key, new_name):
3184 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
3185 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
3188 def get_number_of_keys():
3189 r"""get_number_of_keys() -> unsigned int"""
3190 return _IMP_kernel.ModelKey_get_number_of_keys()
3193 r"""get_index(ModelKey self) -> unsigned int"""
3194 return _IMP_kernel.ModelKey_get_index(self)
3198 r"""show_all(_ostream out)"""
3199 return _IMP_kernel.ModelKey_show_all(out)
3202 def get_all_strings():
3203 r"""get_all_strings() -> IMP::Vector< std::string >"""
3204 return _IMP_kernel.ModelKey_get_all_strings()
3207 def get_number_unique():
3208 r"""get_number_unique() -> unsigned int"""
3209 return _IMP_kernel.ModelKey_get_number_unique()
3212 r"""__str__(ModelKey self) -> std::string"""
3213 return _IMP_kernel.ModelKey___str__(self)
3216 r"""__repr__(ModelKey self) -> std::string"""
3217 return _IMP_kernel.ModelKey___repr__(self)
3218 __swig_destroy__ = _IMP_kernel.delete_ModelKey
3221 _IMP_kernel.ModelKey_swigregister(ModelKey)
3223 r"""Proxy of C++ IMP::Key< 11 > class."""
3225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3227 def __init__(self, *args):
3229 __init__(TriggerKey self) -> TriggerKey
3230 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
3231 __init__(TriggerKey self, unsigned int i) -> TriggerKey
3233 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
3237 r"""add_key(std::string sc) -> unsigned int"""
3238 return _IMP_kernel.TriggerKey_add_key(sc)
3241 def get_key_exists(sc):
3242 r"""get_key_exists(std::string sc) -> bool"""
3243 return _IMP_kernel.TriggerKey_get_key_exists(sc)
3245 def get_string(self):
3246 r"""get_string(TriggerKey self) -> std::string const"""
3247 return _IMP_kernel.TriggerKey_get_string(self)
3249 def __cmp__(self, o):
3250 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
3251 return _IMP_kernel.TriggerKey___cmp__(self, o)
3253 def __eq__(self, o):
3254 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
3255 return _IMP_kernel.TriggerKey___eq__(self, o)
3257 def __ne__(self, o):
3258 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
3259 return _IMP_kernel.TriggerKey___ne__(self, o)
3261 def __lt__(self, o):
3262 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
3263 return _IMP_kernel.TriggerKey___lt__(self, o)
3265 def __gt__(self, o):
3266 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
3267 return _IMP_kernel.TriggerKey___gt__(self, o)
3269 def __ge__(self, o):
3270 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
3271 return _IMP_kernel.TriggerKey___ge__(self, o)
3273 def __le__(self, o):
3274 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
3275 return _IMP_kernel.TriggerKey___le__(self, o)
3278 r"""__hash__(TriggerKey self) -> std::size_t"""
3279 return _IMP_kernel.TriggerKey___hash__(self)
3281 def show(self, *args):
3282 r"""show(TriggerKey self, _ostream out=std::cout)"""
3283 return _IMP_kernel.TriggerKey_show(self, *args)
3286 def add_alias(old_key, new_name):
3287 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
3288 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
3291 def get_number_of_keys():
3292 r"""get_number_of_keys() -> unsigned int"""
3293 return _IMP_kernel.TriggerKey_get_number_of_keys()
3296 r"""get_index(TriggerKey self) -> unsigned int"""
3297 return _IMP_kernel.TriggerKey_get_index(self)
3301 r"""show_all(_ostream out)"""
3302 return _IMP_kernel.TriggerKey_show_all(out)
3305 def get_all_strings():
3306 r"""get_all_strings() -> IMP::Vector< std::string >"""
3307 return _IMP_kernel.TriggerKey_get_all_strings()
3310 def get_number_unique():
3311 r"""get_number_unique() -> unsigned int"""
3312 return _IMP_kernel.TriggerKey_get_number_unique()
3315 r"""__str__(TriggerKey self) -> std::string"""
3316 return _IMP_kernel.TriggerKey___str__(self)
3319 r"""__repr__(TriggerKey self) -> std::string"""
3320 return _IMP_kernel.TriggerKey___repr__(self)
3321 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
3324 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
3326 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
3328 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3330 def __init__(self, *args):
3332 __init__(ParticleIndex self, int i) -> ParticleIndex
3333 __init__(ParticleIndex self) -> ParticleIndex
3335 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
3338 r"""get_index(ParticleIndex self) -> int"""
3339 return _IMP_kernel.ParticleIndex_get_index(self)
3341 def __cmp__(self, o):
3342 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
3343 return _IMP_kernel.ParticleIndex___cmp__(self, o)
3345 def __eq__(self, o):
3346 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
3347 return _IMP_kernel.ParticleIndex___eq__(self, o)
3349 def __ne__(self, o):
3350 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
3351 return _IMP_kernel.ParticleIndex___ne__(self, o)
3353 def __lt__(self, o):
3354 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
3355 return _IMP_kernel.ParticleIndex___lt__(self, o)
3357 def __gt__(self, o):
3358 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
3359 return _IMP_kernel.ParticleIndex___gt__(self, o)
3361 def __ge__(self, o):
3362 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
3363 return _IMP_kernel.ParticleIndex___ge__(self, o)
3365 def __le__(self, o):
3366 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
3367 return _IMP_kernel.ParticleIndex___le__(self, o)
3369 def show(self, *args):
3370 r"""show(ParticleIndex self, _ostream out=std::cout)"""
3371 return _IMP_kernel.ParticleIndex_show(self, *args)
3374 r"""__hash__(ParticleIndex self) -> std::size_t"""
3375 return _IMP_kernel.ParticleIndex___hash__(self)
3378 r"""__str__(ParticleIndex self) -> std::string"""
3379 return _IMP_kernel.ParticleIndex___str__(self)
3382 r"""__repr__(ParticleIndex self) -> std::string"""
3383 return _IMP_kernel.ParticleIndex___repr__(self)
3384 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
3387 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
3389 r"""Proxy of C++ IMP::Key< 10 > class."""
3391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3393 def __init__(self, *args):
3395 __init__(FloatsKey self) -> FloatsKey
3396 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
3397 __init__(FloatsKey self, unsigned int i) -> FloatsKey
3399 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
3403 r"""add_key(std::string sc) -> unsigned int"""
3404 return _IMP_kernel.FloatsKey_add_key(sc)
3407 def get_key_exists(sc):
3408 r"""get_key_exists(std::string sc) -> bool"""
3409 return _IMP_kernel.FloatsKey_get_key_exists(sc)
3411 def get_string(self):
3412 r"""get_string(FloatsKey self) -> std::string const"""
3413 return _IMP_kernel.FloatsKey_get_string(self)
3415 def __cmp__(self, o):
3416 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
3417 return _IMP_kernel.FloatsKey___cmp__(self, o)
3419 def __eq__(self, o):
3420 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
3421 return _IMP_kernel.FloatsKey___eq__(self, o)
3423 def __ne__(self, o):
3424 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
3425 return _IMP_kernel.FloatsKey___ne__(self, o)
3427 def __lt__(self, o):
3428 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
3429 return _IMP_kernel.FloatsKey___lt__(self, o)
3431 def __gt__(self, o):
3432 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
3433 return _IMP_kernel.FloatsKey___gt__(self, o)
3435 def __ge__(self, o):
3436 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
3437 return _IMP_kernel.FloatsKey___ge__(self, o)
3439 def __le__(self, o):
3440 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
3441 return _IMP_kernel.FloatsKey___le__(self, o)
3444 r"""__hash__(FloatsKey self) -> std::size_t"""
3445 return _IMP_kernel.FloatsKey___hash__(self)
3447 def show(self, *args):
3448 r"""show(FloatsKey self, _ostream out=std::cout)"""
3449 return _IMP_kernel.FloatsKey_show(self, *args)
3452 def add_alias(old_key, new_name):
3453 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
3454 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
3457 def get_number_of_keys():
3458 r"""get_number_of_keys() -> unsigned int"""
3459 return _IMP_kernel.FloatsKey_get_number_of_keys()
3462 r"""get_index(FloatsKey self) -> unsigned int"""
3463 return _IMP_kernel.FloatsKey_get_index(self)
3467 r"""show_all(_ostream out)"""
3468 return _IMP_kernel.FloatsKey_show_all(out)
3471 def get_all_strings():
3472 r"""get_all_strings() -> IMP::Vector< std::string >"""
3473 return _IMP_kernel.FloatsKey_get_all_strings()
3476 def get_number_unique():
3477 r"""get_number_unique() -> unsigned int"""
3478 return _IMP_kernel.FloatsKey_get_number_unique()
3481 r"""__str__(FloatsKey self) -> std::string"""
3482 return _IMP_kernel.FloatsKey___str__(self)
3485 r"""__repr__(FloatsKey self) -> std::string"""
3486 return _IMP_kernel.FloatsKey___repr__(self)
3487 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
3490 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
3492 r"""Proxy of C++ IMP::Key< 12 > class."""
3494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3496 def __init__(self, *args):
3498 __init__(SparseStringKey self) -> SparseStringKey
3499 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
3500 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
3502 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
3506 r"""add_key(std::string sc) -> unsigned int"""
3507 return _IMP_kernel.SparseStringKey_add_key(sc)
3510 def get_key_exists(sc):
3511 r"""get_key_exists(std::string sc) -> bool"""
3512 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
3514 def get_string(self):
3515 r"""get_string(SparseStringKey self) -> std::string const"""
3516 return _IMP_kernel.SparseStringKey_get_string(self)
3518 def __cmp__(self, o):
3519 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3520 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3522 def __eq__(self, o):
3523 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3524 return _IMP_kernel.SparseStringKey___eq__(self, o)
3526 def __ne__(self, o):
3527 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3528 return _IMP_kernel.SparseStringKey___ne__(self, o)
3530 def __lt__(self, o):
3531 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3532 return _IMP_kernel.SparseStringKey___lt__(self, o)
3534 def __gt__(self, o):
3535 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3536 return _IMP_kernel.SparseStringKey___gt__(self, o)
3538 def __ge__(self, o):
3539 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3540 return _IMP_kernel.SparseStringKey___ge__(self, o)
3542 def __le__(self, o):
3543 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3544 return _IMP_kernel.SparseStringKey___le__(self, o)
3547 r"""__hash__(SparseStringKey self) -> std::size_t"""
3548 return _IMP_kernel.SparseStringKey___hash__(self)
3550 def show(self, *args):
3551 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3552 return _IMP_kernel.SparseStringKey_show(self, *args)
3555 def add_alias(old_key, new_name):
3556 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3557 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3560 def get_number_of_keys():
3561 r"""get_number_of_keys() -> unsigned int"""
3562 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3565 r"""get_index(SparseStringKey self) -> unsigned int"""
3566 return _IMP_kernel.SparseStringKey_get_index(self)
3570 r"""show_all(_ostream out)"""
3571 return _IMP_kernel.SparseStringKey_show_all(out)
3574 def get_all_strings():
3575 r"""get_all_strings() -> IMP::Vector< std::string >"""
3576 return _IMP_kernel.SparseStringKey_get_all_strings()
3579 def get_number_unique():
3580 r"""get_number_unique() -> unsigned int"""
3581 return _IMP_kernel.SparseStringKey_get_number_unique()
3584 r"""__str__(SparseStringKey self) -> std::string"""
3585 return _IMP_kernel.SparseStringKey___str__(self)
3588 r"""__repr__(SparseStringKey self) -> std::string"""
3589 return _IMP_kernel.SparseStringKey___repr__(self)
3590 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3593 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3595 r"""Proxy of C++ IMP::Key< 13 > class."""
3597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3599 def __init__(self, *args):
3601 __init__(SparseIntKey self) -> SparseIntKey
3602 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3603 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3605 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3609 r"""add_key(std::string sc) -> unsigned int"""
3610 return _IMP_kernel.SparseIntKey_add_key(sc)
3613 def get_key_exists(sc):
3614 r"""get_key_exists(std::string sc) -> bool"""
3615 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3617 def get_string(self):
3618 r"""get_string(SparseIntKey self) -> std::string const"""
3619 return _IMP_kernel.SparseIntKey_get_string(self)
3621 def __cmp__(self, o):
3622 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3623 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3625 def __eq__(self, o):
3626 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3627 return _IMP_kernel.SparseIntKey___eq__(self, o)
3629 def __ne__(self, o):
3630 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3631 return _IMP_kernel.SparseIntKey___ne__(self, o)
3633 def __lt__(self, o):
3634 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3635 return _IMP_kernel.SparseIntKey___lt__(self, o)
3637 def __gt__(self, o):
3638 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3639 return _IMP_kernel.SparseIntKey___gt__(self, o)
3641 def __ge__(self, o):
3642 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3643 return _IMP_kernel.SparseIntKey___ge__(self, o)
3645 def __le__(self, o):
3646 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3647 return _IMP_kernel.SparseIntKey___le__(self, o)
3650 r"""__hash__(SparseIntKey self) -> std::size_t"""
3651 return _IMP_kernel.SparseIntKey___hash__(self)
3653 def show(self, *args):
3654 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3655 return _IMP_kernel.SparseIntKey_show(self, *args)
3658 def add_alias(old_key, new_name):
3659 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3660 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3663 def get_number_of_keys():
3664 r"""get_number_of_keys() -> unsigned int"""
3665 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3668 r"""get_index(SparseIntKey self) -> unsigned int"""
3669 return _IMP_kernel.SparseIntKey_get_index(self)
3673 r"""show_all(_ostream out)"""
3674 return _IMP_kernel.SparseIntKey_show_all(out)
3677 def get_all_strings():
3678 r"""get_all_strings() -> IMP::Vector< std::string >"""
3679 return _IMP_kernel.SparseIntKey_get_all_strings()
3682 def get_number_unique():
3683 r"""get_number_unique() -> unsigned int"""
3684 return _IMP_kernel.SparseIntKey_get_number_unique()
3687 r"""__str__(SparseIntKey self) -> std::string"""
3688 return _IMP_kernel.SparseIntKey___str__(self)
3691 r"""__repr__(SparseIntKey self) -> std::string"""
3692 return _IMP_kernel.SparseIntKey___repr__(self)
3693 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3696 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3698 r"""Proxy of C++ IMP::Key< 14 > class."""
3700 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3702 def __init__(self, *args):
3704 __init__(SparseFloatKey self) -> SparseFloatKey
3705 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3706 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3708 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3712 r"""add_key(std::string sc) -> unsigned int"""
3713 return _IMP_kernel.SparseFloatKey_add_key(sc)
3716 def get_key_exists(sc):
3717 r"""get_key_exists(std::string sc) -> bool"""
3718 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3720 def get_string(self):
3721 r"""get_string(SparseFloatKey self) -> std::string const"""
3722 return _IMP_kernel.SparseFloatKey_get_string(self)
3724 def __cmp__(self, o):
3725 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3726 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3728 def __eq__(self, o):
3729 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3730 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3732 def __ne__(self, o):
3733 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3734 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3736 def __lt__(self, o):
3737 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3738 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3740 def __gt__(self, o):
3741 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3742 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3744 def __ge__(self, o):
3745 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3746 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3748 def __le__(self, o):
3749 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3750 return _IMP_kernel.SparseFloatKey___le__(self, o)
3753 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3754 return _IMP_kernel.SparseFloatKey___hash__(self)
3756 def show(self, *args):
3757 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3758 return _IMP_kernel.SparseFloatKey_show(self, *args)
3761 def add_alias(old_key, new_name):
3762 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3763 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3766 def get_number_of_keys():
3767 r"""get_number_of_keys() -> unsigned int"""
3768 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3771 r"""get_index(SparseFloatKey self) -> unsigned int"""
3772 return _IMP_kernel.SparseFloatKey_get_index(self)
3776 r"""show_all(_ostream out)"""
3777 return _IMP_kernel.SparseFloatKey_show_all(out)
3780 def get_all_strings():
3781 r"""get_all_strings() -> IMP::Vector< std::string >"""
3782 return _IMP_kernel.SparseFloatKey_get_all_strings()
3785 def get_number_unique():
3786 r"""get_number_unique() -> unsigned int"""
3787 return _IMP_kernel.SparseFloatKey_get_number_unique()
3790 r"""__str__(SparseFloatKey self) -> std::string"""
3791 return _IMP_kernel.SparseFloatKey___str__(self)
3794 r"""__repr__(SparseFloatKey self) -> std::string"""
3795 return _IMP_kernel.SparseFloatKey___repr__(self)
3796 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3799 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3801 r"""Proxy of C++ IMP::Key< 15 > class."""
3803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3805 def __init__(self, *args):
3807 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3808 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3809 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3811 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3815 r"""add_key(std::string sc) -> unsigned int"""
3816 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3819 def get_key_exists(sc):
3820 r"""get_key_exists(std::string sc) -> bool"""
3821 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3823 def get_string(self):
3824 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3825 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3827 def __cmp__(self, o):
3828 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3829 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3831 def __eq__(self, o):
3832 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3833 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3835 def __ne__(self, o):
3836 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3837 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3839 def __lt__(self, o):
3840 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3841 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3843 def __gt__(self, o):
3844 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3845 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3847 def __ge__(self, o):
3848 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3849 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3851 def __le__(self, o):
3852 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3853 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3856 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3857 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3859 def show(self, *args):
3860 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3861 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3864 def add_alias(old_key, new_name):
3865 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3866 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3869 def get_number_of_keys():
3870 r"""get_number_of_keys() -> unsigned int"""
3871 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3874 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3875 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3879 r"""show_all(_ostream out)"""
3880 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3883 def get_all_strings():
3884 r"""get_all_strings() -> IMP::Vector< std::string >"""
3885 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3888 def get_number_unique():
3889 r"""get_number_unique() -> unsigned int"""
3890 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3893 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3894 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3897 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3898 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3899 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3902 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3904 r"""Proxy of C++ IMP::Key< 16 > class."""
3906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3908 def __init__(self, *args):
3910 __init__(Vector3DKey self) -> Vector3DKey
3911 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3912 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3914 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3918 r"""add_key(std::string sc) -> unsigned int"""
3919 return _IMP_kernel.Vector3DKey_add_key(sc)
3922 def get_key_exists(sc):
3923 r"""get_key_exists(std::string sc) -> bool"""
3924 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3926 def get_string(self):
3927 r"""get_string(Vector3DKey self) -> std::string const"""
3928 return _IMP_kernel.Vector3DKey_get_string(self)
3930 def __cmp__(self, o):
3931 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3932 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3934 def __eq__(self, o):
3935 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3936 return _IMP_kernel.Vector3DKey___eq__(self, o)
3938 def __ne__(self, o):
3939 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3940 return _IMP_kernel.Vector3DKey___ne__(self, o)
3942 def __lt__(self, o):
3943 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3944 return _IMP_kernel.Vector3DKey___lt__(self, o)
3946 def __gt__(self, o):
3947 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3948 return _IMP_kernel.Vector3DKey___gt__(self, o)
3950 def __ge__(self, o):
3951 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3952 return _IMP_kernel.Vector3DKey___ge__(self, o)
3954 def __le__(self, o):
3955 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3956 return _IMP_kernel.Vector3DKey___le__(self, o)
3959 r"""__hash__(Vector3DKey self) -> std::size_t"""
3960 return _IMP_kernel.Vector3DKey___hash__(self)
3962 def show(self, *args):
3963 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3964 return _IMP_kernel.Vector3DKey_show(self, *args)
3967 def add_alias(old_key, new_name):
3968 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3969 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3972 def get_number_of_keys():
3973 r"""get_number_of_keys() -> unsigned int"""
3974 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3977 r"""get_index(Vector3DKey self) -> unsigned int"""
3978 return _IMP_kernel.Vector3DKey_get_index(self)
3982 r"""show_all(_ostream out)"""
3983 return _IMP_kernel.Vector3DKey_show_all(out)
3986 def get_all_strings():
3987 r"""get_all_strings() -> IMP::Vector< std::string >"""
3988 return _IMP_kernel.Vector3DKey_get_all_strings()
3991 def get_number_unique():
3992 r"""get_number_unique() -> unsigned int"""
3993 return _IMP_kernel.Vector3DKey_get_number_unique()
3996 r"""__str__(Vector3DKey self) -> std::string"""
3997 return _IMP_kernel.Vector3DKey___str__(self)
4000 r"""__repr__(Vector3DKey self) -> std::string"""
4001 return _IMP_kernel.Vector3DKey___repr__(self)
4002 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
4005 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
4007 r"""Proxy of C++ IMP::Key< 17 > class."""
4009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4011 def __init__(self, *args):
4013 __init__(Vector3DDerivKey self) -> Vector3DDerivKey
4014 __init__(Vector3DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DDerivKey
4015 __init__(Vector3DDerivKey self, unsigned int i) -> Vector3DDerivKey
4017 _IMP_kernel.Vector3DDerivKey_swiginit(self, _IMP_kernel.new_Vector3DDerivKey(*args))
4021 r"""add_key(std::string sc) -> unsigned int"""
4022 return _IMP_kernel.Vector3DDerivKey_add_key(sc)
4025 def get_key_exists(sc):
4026 r"""get_key_exists(std::string sc) -> bool"""
4027 return _IMP_kernel.Vector3DDerivKey_get_key_exists(sc)
4029 def get_string(self):
4030 r"""get_string(Vector3DDerivKey self) -> std::string const"""
4031 return _IMP_kernel.Vector3DDerivKey_get_string(self)
4033 def __cmp__(self, o):
4034 r"""__cmp__(Vector3DDerivKey self, Vector3DDerivKey o) -> int"""
4035 return _IMP_kernel.Vector3DDerivKey___cmp__(self, o)
4037 def __eq__(self, o):
4038 r"""__eq__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4039 return _IMP_kernel.Vector3DDerivKey___eq__(self, o)
4041 def __ne__(self, o):
4042 r"""__ne__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4043 return _IMP_kernel.Vector3DDerivKey___ne__(self, o)
4045 def __lt__(self, o):
4046 r"""__lt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4047 return _IMP_kernel.Vector3DDerivKey___lt__(self, o)
4049 def __gt__(self, o):
4050 r"""__gt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4051 return _IMP_kernel.Vector3DDerivKey___gt__(self, o)
4053 def __ge__(self, o):
4054 r"""__ge__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4055 return _IMP_kernel.Vector3DDerivKey___ge__(self, o)
4057 def __le__(self, o):
4058 r"""__le__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4059 return _IMP_kernel.Vector3DDerivKey___le__(self, o)
4062 r"""__hash__(Vector3DDerivKey self) -> std::size_t"""
4063 return _IMP_kernel.Vector3DDerivKey___hash__(self)
4065 def show(self, *args):
4066 r"""show(Vector3DDerivKey self, _ostream out=std::cout)"""
4067 return _IMP_kernel.Vector3DDerivKey_show(self, *args)
4070 def add_alias(old_key, new_name):
4071 r"""add_alias(Vector3DDerivKey old_key, std::string new_name) -> Vector3DDerivKey"""
4072 return _IMP_kernel.Vector3DDerivKey_add_alias(old_key, new_name)
4075 def get_number_of_keys():
4076 r"""get_number_of_keys() -> unsigned int"""
4077 return _IMP_kernel.Vector3DDerivKey_get_number_of_keys()
4080 r"""get_index(Vector3DDerivKey self) -> unsigned int"""
4081 return _IMP_kernel.Vector3DDerivKey_get_index(self)
4085 r"""show_all(_ostream out)"""
4086 return _IMP_kernel.Vector3DDerivKey_show_all(out)
4089 def get_all_strings():
4090 r"""get_all_strings() -> IMP::Vector< std::string >"""
4091 return _IMP_kernel.Vector3DDerivKey_get_all_strings()
4094 def get_number_unique():
4095 r"""get_number_unique() -> unsigned int"""
4096 return _IMP_kernel.Vector3DDerivKey_get_number_unique()
4099 r"""__str__(Vector3DDerivKey self) -> std::string"""
4100 return _IMP_kernel.Vector3DDerivKey___str__(self)
4103 r"""__repr__(Vector3DDerivKey self) -> std::string"""
4104 return _IMP_kernel.Vector3DDerivKey___repr__(self)
4105 __swig_destroy__ = _IMP_kernel.delete_Vector3DDerivKey
4108 _IMP_kernel.Vector3DDerivKey_swigregister(Vector3DDerivKey)
4110 r"""Proxy of C++ IMP::Key< 18 > class."""
4112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4114 def __init__(self, *args):
4116 __init__(Vector4DKey self) -> Vector4DKey
4117 __init__(Vector4DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DKey
4118 __init__(Vector4DKey self, unsigned int i) -> Vector4DKey
4120 _IMP_kernel.Vector4DKey_swiginit(self, _IMP_kernel.new_Vector4DKey(*args))
4124 r"""add_key(std::string sc) -> unsigned int"""
4125 return _IMP_kernel.Vector4DKey_add_key(sc)
4128 def get_key_exists(sc):
4129 r"""get_key_exists(std::string sc) -> bool"""
4130 return _IMP_kernel.Vector4DKey_get_key_exists(sc)
4132 def get_string(self):
4133 r"""get_string(Vector4DKey self) -> std::string const"""
4134 return _IMP_kernel.Vector4DKey_get_string(self)
4136 def __cmp__(self, o):
4137 r"""__cmp__(Vector4DKey self, Vector4DKey o) -> int"""
4138 return _IMP_kernel.Vector4DKey___cmp__(self, o)
4140 def __eq__(self, o):
4141 r"""__eq__(Vector4DKey self, Vector4DKey o) -> bool"""
4142 return _IMP_kernel.Vector4DKey___eq__(self, o)
4144 def __ne__(self, o):
4145 r"""__ne__(Vector4DKey self, Vector4DKey o) -> bool"""
4146 return _IMP_kernel.Vector4DKey___ne__(self, o)
4148 def __lt__(self, o):
4149 r"""__lt__(Vector4DKey self, Vector4DKey o) -> bool"""
4150 return _IMP_kernel.Vector4DKey___lt__(self, o)
4152 def __gt__(self, o):
4153 r"""__gt__(Vector4DKey self, Vector4DKey o) -> bool"""
4154 return _IMP_kernel.Vector4DKey___gt__(self, o)
4156 def __ge__(self, o):
4157 r"""__ge__(Vector4DKey self, Vector4DKey o) -> bool"""
4158 return _IMP_kernel.Vector4DKey___ge__(self, o)
4160 def __le__(self, o):
4161 r"""__le__(Vector4DKey self, Vector4DKey o) -> bool"""
4162 return _IMP_kernel.Vector4DKey___le__(self, o)
4165 r"""__hash__(Vector4DKey self) -> std::size_t"""
4166 return _IMP_kernel.Vector4DKey___hash__(self)
4168 def show(self, *args):
4169 r"""show(Vector4DKey self, _ostream out=std::cout)"""
4170 return _IMP_kernel.Vector4DKey_show(self, *args)
4173 def add_alias(old_key, new_name):
4174 r"""add_alias(Vector4DKey old_key, std::string new_name) -> Vector4DKey"""
4175 return _IMP_kernel.Vector4DKey_add_alias(old_key, new_name)
4178 def get_number_of_keys():
4179 r"""get_number_of_keys() -> unsigned int"""
4180 return _IMP_kernel.Vector4DKey_get_number_of_keys()
4183 r"""get_index(Vector4DKey self) -> unsigned int"""
4184 return _IMP_kernel.Vector4DKey_get_index(self)
4188 r"""show_all(_ostream out)"""
4189 return _IMP_kernel.Vector4DKey_show_all(out)
4192 def get_all_strings():
4193 r"""get_all_strings() -> IMP::Vector< std::string >"""
4194 return _IMP_kernel.Vector4DKey_get_all_strings()
4197 def get_number_unique():
4198 r"""get_number_unique() -> unsigned int"""
4199 return _IMP_kernel.Vector4DKey_get_number_unique()
4202 r"""__str__(Vector4DKey self) -> std::string"""
4203 return _IMP_kernel.Vector4DKey___str__(self)
4206 r"""__repr__(Vector4DKey self) -> std::string"""
4207 return _IMP_kernel.Vector4DKey___repr__(self)
4208 __swig_destroy__ = _IMP_kernel.delete_Vector4DKey
4211 _IMP_kernel.Vector4DKey_swigregister(Vector4DKey)
4213 r"""Proxy of C++ IMP::Key< 19 > class."""
4215 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4217 def __init__(self, *args):
4219 __init__(Vector4DDerivKey self) -> Vector4DDerivKey
4220 __init__(Vector4DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DDerivKey
4221 __init__(Vector4DDerivKey self, unsigned int i) -> Vector4DDerivKey
4223 _IMP_kernel.Vector4DDerivKey_swiginit(self, _IMP_kernel.new_Vector4DDerivKey(*args))
4227 r"""add_key(std::string sc) -> unsigned int"""
4228 return _IMP_kernel.Vector4DDerivKey_add_key(sc)
4231 def get_key_exists(sc):
4232 r"""get_key_exists(std::string sc) -> bool"""
4233 return _IMP_kernel.Vector4DDerivKey_get_key_exists(sc)
4235 def get_string(self):
4236 r"""get_string(Vector4DDerivKey self) -> std::string const"""
4237 return _IMP_kernel.Vector4DDerivKey_get_string(self)
4239 def __cmp__(self, o):
4240 r"""__cmp__(Vector4DDerivKey self, Vector4DDerivKey o) -> int"""
4241 return _IMP_kernel.Vector4DDerivKey___cmp__(self, o)
4243 def __eq__(self, o):
4244 r"""__eq__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4245 return _IMP_kernel.Vector4DDerivKey___eq__(self, o)
4247 def __ne__(self, o):
4248 r"""__ne__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4249 return _IMP_kernel.Vector4DDerivKey___ne__(self, o)
4251 def __lt__(self, o):
4252 r"""__lt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4253 return _IMP_kernel.Vector4DDerivKey___lt__(self, o)
4255 def __gt__(self, o):
4256 r"""__gt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4257 return _IMP_kernel.Vector4DDerivKey___gt__(self, o)
4259 def __ge__(self, o):
4260 r"""__ge__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4261 return _IMP_kernel.Vector4DDerivKey___ge__(self, o)
4263 def __le__(self, o):
4264 r"""__le__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4265 return _IMP_kernel.Vector4DDerivKey___le__(self, o)
4268 r"""__hash__(Vector4DDerivKey self) -> std::size_t"""
4269 return _IMP_kernel.Vector4DDerivKey___hash__(self)
4271 def show(self, *args):
4272 r"""show(Vector4DDerivKey self, _ostream out=std::cout)"""
4273 return _IMP_kernel.Vector4DDerivKey_show(self, *args)
4276 def add_alias(old_key, new_name):
4277 r"""add_alias(Vector4DDerivKey old_key, std::string new_name) -> Vector4DDerivKey"""
4278 return _IMP_kernel.Vector4DDerivKey_add_alias(old_key, new_name)
4281 def get_number_of_keys():
4282 r"""get_number_of_keys() -> unsigned int"""
4283 return _IMP_kernel.Vector4DDerivKey_get_number_of_keys()
4286 r"""get_index(Vector4DDerivKey self) -> unsigned int"""
4287 return _IMP_kernel.Vector4DDerivKey_get_index(self)
4291 r"""show_all(_ostream out)"""
4292 return _IMP_kernel.Vector4DDerivKey_show_all(out)
4295 def get_all_strings():
4296 r"""get_all_strings() -> IMP::Vector< std::string >"""
4297 return _IMP_kernel.Vector4DDerivKey_get_all_strings()
4300 def get_number_unique():
4301 r"""get_number_unique() -> unsigned int"""
4302 return _IMP_kernel.Vector4DDerivKey_get_number_unique()
4305 r"""__str__(Vector4DDerivKey self) -> std::string"""
4306 return _IMP_kernel.Vector4DDerivKey___str__(self)
4309 r"""__repr__(Vector4DDerivKey self) -> std::string"""
4310 return _IMP_kernel.Vector4DDerivKey___repr__(self)
4311 __swig_destroy__ = _IMP_kernel.delete_Vector4DDerivKey
4314 _IMP_kernel.Vector4DDerivKey_swigregister(Vector4DDerivKey)
4323 class FloatIndex(_Value):
4324 r"""Proxy of C++ IMP::FloatIndex class."""
4326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4328 def __init__(self, *args):
4330 __init__(FloatIndex self, ParticleIndex pi, FloatKey k) -> FloatIndex
4331 __init__(FloatIndex self, ParticleIndex pi, Vector3DDerivKey k, int index) -> FloatIndex
4332 __init__(FloatIndex self, ParticleIndex pi, Vector4DDerivKey k, int index) -> FloatIndex
4334 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
4336 def get_float_key(self):
4337 r"""get_float_key(FloatIndex self) -> FloatKey"""
4338 return _IMP_kernel.FloatIndex_get_float_key(self)
4340 def set_value(self, m, v):
4341 r"""set_value(FloatIndex self, Model m, IMP::Float v)"""
4342 return _IMP_kernel.FloatIndex_set_value(self, m, v)
4344 def get_value(self, m):
4345 r"""get_value(FloatIndex self, Model m) -> IMP::Float"""
4346 return _IMP_kernel.FloatIndex_get_value(self, m)
4348 def get_derivative(self, m):
4349 r"""get_derivative(FloatIndex self, Model m) -> IMP::Float"""
4350 return _IMP_kernel.FloatIndex_get_derivative(self, m)
4352 def show(self, *args):
4353 r"""show(FloatIndex self, _ostream out=std::cout)"""
4354 return _IMP_kernel.FloatIndex_show(self, *args)
4357 r"""__str__(FloatIndex self) -> std::string"""
4358 return _IMP_kernel.FloatIndex___str__(self)
4361 r"""__repr__(FloatIndex self) -> std::string"""
4362 return _IMP_kernel.FloatIndex___repr__(self)
4363 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
4366 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
4367 class _ParticleIndexTag(object):
4368 r"""Proxy of C++ IMP::ParticleIndexTag class."""
4370 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4371 __repr__ = _swig_repr
4374 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
4375 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
4376 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
4379 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
4380 class ModelObject(
Object):
4381 r"""Proxy of C++ IMP::ModelObject class."""
4383 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4385 def __init__(self, *args):
4387 __init__(ModelObject self, Model m, std::string name) -> ModelObject
4388 __init__(ModelObject self) -> ModelObject
4390 if self.__class__ == ModelObject:
4394 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
4396 if self.__class__ != ModelObject:
4397 _director_objects.register(self)
4401 __swig_destroy__ = _IMP_kernel.delete_ModelObject
4403 def get_model(self):
4404 m = _IMP_kernel.ModelObject_get_model(self)
4405 if m
in _models_set:
4406 m = _models_set_get(m)
4411 def get_inputs(self):
4412 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4413 return _IMP_kernel.ModelObject_get_inputs(self)
4415 def get_outputs(self):
4416 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4417 return _IMP_kernel.ModelObject_get_outputs(self)
4419 def get_interactions(self):
4420 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4421 return _IMP_kernel.ModelObject_get_interactions(self)
4423 def get_has_dependencies(self):
4424 r"""get_has_dependencies(ModelObject self) -> bool"""
4425 return _IMP_kernel.ModelObject_get_has_dependencies(self)
4427 def set_has_dependencies(self, tf):
4428 r"""set_has_dependencies(ModelObject self, bool tf)"""
4429 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
4431 def set_has_required_score_states(self, tf):
4432 r"""set_has_required_score_states(ModelObject self, bool tf)"""
4433 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
4435 def get_has_required_score_states(self):
4436 r"""get_has_required_score_states(ModelObject self) -> bool"""
4437 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
4439 def get_required_score_states(self):
4440 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
4441 return _IMP_kernel.ModelObject_get_required_score_states(self)
4443 def handle_set_has_required_score_states(self, arg0):
4444 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
4445 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
4447 def do_get_inputs(self):
4448 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4449 return _IMP_kernel.ModelObject_do_get_inputs(self)
4451 def do_get_outputs(self):
4452 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4453 return _IMP_kernel.ModelObject_do_get_outputs(self)
4455 def do_get_interactions(self):
4456 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4457 return _IMP_kernel.ModelObject_do_get_interactions(self)
4460 r"""__str__(ModelObject self) -> std::string"""
4461 return _IMP_kernel.ModelObject___str__(self)
4464 r"""__repr__(ModelObject self) -> std::string"""
4465 return _IMP_kernel.ModelObject___repr__(self)
4469 return _object_cast_to_ModelObject(o)
4472 def do_show(self, out):
4477 return _object_cast_to_ModelObject(o)
4479 def __disown__(self):
4481 _IMP_kernel.disown_ModelObject(self)
4482 return weakref.proxy(self)
4485 r"""do_destroy(ModelObject self)"""
4486 return _IMP_kernel.ModelObject_do_destroy(self)
4489 _IMP_kernel.ModelObject_swigregister(ModelObject)
4490 cvar = _IMP_kernel.cvar
4491 NO_MAX = cvar.NO_MAX
4492 BAD_SCORE = cvar.BAD_SCORE
4494 class _ParticleInputs(object):
4495 r"""Proxy of C++ IMP::ParticleInputs class."""
4497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4499 def __init__(self, *args, **kwargs):
4500 raise AttributeError(
"No constructor defined - class is abstract")
4501 __repr__ = _swig_repr
4503 def get_inputs(self, m, pis):
4504 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4505 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
4508 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
4509 class _ParticleOutputs(object):
4510 r"""Proxy of C++ IMP::ParticleOutputs class."""
4512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4514 def __init__(self, *args, **kwargs):
4515 raise AttributeError(
"No constructor defined - class is abstract")
4516 __repr__ = _swig_repr
4518 def get_outputs(self, m, pis):
4519 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4520 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
4523 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
4526 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4527 return _IMP_kernel.get_input_particles(mos)
4530 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4531 return _IMP_kernel.get_input_containers(mos)
4534 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4535 return _IMP_kernel.get_output_particles(mos)
4538 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4539 return _IMP_kernel.get_output_containers(mos)
4542 _plural_types.append(
"Vector1Ds")
4543 _value_types.append(
"Vector1D")
4547 _plural_types.append(
"Vector2Ds")
4548 _value_types.append(
"Vector2D")
4552 _plural_types.append(
"Vector3Ds")
4553 _value_types.append(
"Vector3D")
4557 _plural_types.append(
"Vector4Ds")
4558 _value_types.append(
"Vector4D")
4562 _plural_types.append(
"Vector5Ds")
4563 _value_types.append(
"Vector5D")
4567 _plural_types.append(
"Vector6Ds")
4568 _value_types.append(
"Vector6D")
4572 _plural_types.append(
"Vector1Ds")
4573 _value_types.append(
"VectorD<1>")
4577 _plural_types.append(
"Vector2Ds")
4578 _value_types.append(
"VectorD<2>")
4582 _plural_types.append(
"Vector3Ds")
4583 _value_types.append(
"VectorD<3>")
4587 _plural_types.append(
"Vector4Ds")
4588 _value_types.append(
"VectorD<4>")
4592 _plural_types.append(
"Vector5Ds")
4593 _value_types.append(
"VectorD<5>")
4597 _plural_types.append(
"Vector6Ds")
4598 _value_types.append(
"VectorD<6>")
4602 _plural_types.append(
"VectorKDs")
4603 _value_types.append(
"VectorKD")
4607 _plural_types.append(
"VectorKDs")
4608 _value_types.append(
"VectorD<-1>")
4612 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
4613 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
4616 r"""get_zero_vector_kd(int D) -> VectorKD"""
4617 return _IMP_kernel.get_zero_vector_kd(D)
4620 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
4621 return _IMP_kernel.get_ones_vector_kd(D, v)
4624 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
4625 return _IMP_kernel.get_vector_product(p1, p2)
4628 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
4629 return _IMP_kernel.get_orthogonal_vector(v)
4632 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
4633 return _IMP_kernel.get_centroid(ps)
4636 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
4637 return _IMP_kernel.get_radius_of_gyration(ps)
4638 class DerivativeAccumulator(object):
4639 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4641 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4642 __repr__ = _swig_repr
4644 def __init__(self, *args):
4646 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4647 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4648 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4650 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4652 def __call__(self, *args):
4654 __call__(DerivativeAccumulator self, double const value) -> double
4655 __call__(DerivativeAccumulator self, Vector3D value) -> Vector3D
4656 __call__(DerivativeAccumulator self, Vector4D value) -> Vector4D
4658 return _IMP_kernel.DerivativeAccumulator___call__(self, *args)
4660 def get_weight(self):
4661 r"""get_weight(DerivativeAccumulator self) -> double"""
4662 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4664 def show(self, *args):
4665 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4666 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4667 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4670 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4671 class EvaluationState(object):
4672 r"""Proxy of C++ IMP::EvaluationState class."""
4674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4675 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4676 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4678 def __init__(self, *args):
4680 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4681 __init__(EvaluationState self) -> EvaluationState
4683 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4685 def show(self, *args):
4686 r"""show(EvaluationState self, _ostream out=std::cout)"""
4687 return _IMP_kernel.EvaluationState_show(self, *args)
4690 r"""__str__(EvaluationState self) -> std::string"""
4691 return _IMP_kernel.EvaluationState___str__(self)
4694 r"""__repr__(EvaluationState self) -> std::string"""
4695 return _IMP_kernel.EvaluationState___repr__(self)
4696 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4699 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4700 class ScoreAccumulator(_Value):
4701 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4705 def __init__(self, *args):
4707 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4708 __init__(ScoreAccumulator self) -> ScoreAccumulator
4709 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4710 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4712 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4714 def add_score(self, score):
4715 r"""add_score(ScoreAccumulator self, double score)"""
4716 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4718 def get_abort_evaluation(self):
4719 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4720 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4722 def get_is_evaluate_if_below(self):
4723 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4724 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4726 def get_is_evaluate_if_good(self):
4727 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4728 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4730 def get_maximum(self):
4731 r"""get_maximum(ScoreAccumulator self) -> double"""
4732 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4734 def get_derivative_accumulator(self):
4735 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4736 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4738 def show(self, *args):
4739 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4740 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4743 r"""__str__(ScoreAccumulator self) -> std::string"""
4744 return _IMP_kernel.ScoreAccumulator___str__(self)
4747 r"""__repr__(ScoreAccumulator self) -> std::string"""
4748 return _IMP_kernel.ScoreAccumulator___repr__(self)
4749 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4752 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4753 class ScoreState(ModelObject):
4754 r"""Proxy of C++ IMP::ScoreState class."""
4756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4757 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""")
4759 def set_can_skip(self, can_skip):
4760 r"""set_can_skip(ScoreState self, bool can_skip)"""
4761 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4763 def __init__(self, *args):
4765 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4766 __init__(ScoreState self) -> ScoreState
4768 if self.__class__ == ScoreState:
4772 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4774 if self.__class__ != ScoreState:
4775 _director_objects.register(self)
4780 def before_evaluate(self):
4781 r"""before_evaluate(ScoreState self)"""
4782 return _IMP_kernel.ScoreState_before_evaluate(self)
4784 def after_evaluate(self, accpt):
4785 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4786 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4788 def get_can_skip(self):
4789 r"""get_can_skip(ScoreState self) -> bool"""
4790 return _IMP_kernel.ScoreState_get_can_skip(self)
4792 def get_has_update_order(self):
4793 r"""get_has_update_order(ScoreState self) -> bool"""
4794 return _IMP_kernel.ScoreState_get_has_update_order(self)
4797 r"""get_update_order(ScoreState self) -> unsigned int"""
4798 return _IMP_kernel.ScoreState_get_update_order(self)
4800 def handle_set_has_required_score_states(self, tf):
4801 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4802 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4804 def get_is_ignored_by_jax(self):
4805 r"""get_is_ignored_by_jax(ScoreState self) -> bool"""
4806 return _IMP_kernel.ScoreState_get_is_ignored_by_jax(self)
4808 def do_before_evaluate(self):
4809 r"""do_before_evaluate(ScoreState self)"""
4810 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4812 def do_after_evaluate(self, accpt):
4813 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4814 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4815 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4818 r"""__str__(ScoreState self) -> std::string"""
4819 return _IMP_kernel.ScoreState___str__(self)
4822 r"""__repr__(ScoreState self) -> std::string"""
4823 return _IMP_kernel.ScoreState___repr__(self)
4827 return _object_cast_to_ScoreState(o)
4830 def do_show(self, out):
4835 return _object_cast_to_ScoreState(o)
4838 def _wrap_jax(self, apply_func, keys=None):
4839 """Create the return value for _get_jax.
4840 Use this method in _get_jax() to wrap the JAX apply function
4841 with other model- and ScoreState-specific information.
4843 @param apply_func A function implemented using JAX that takes
4844 a single argument (the current JAX Model) and returns
4845 a new JAX Model with the ScoreState's transformation
4847 @param keys If given, a set of IMP::Key objects describing Model
4848 attributes (other than xyz and radius) that the ScoreState
4851 from IMP._jax_util
import JAXScoreStateInfo
4852 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4856 """Return a JAX implementation of this ScoreState.
4857 Implement this method in a ScoreState subclass to provide
4858 an equivalent function using [JAX](https://docs.jax.dev/)
4859 that modifies the JAX Model. See also _wrap_jax.
4861 if self.get_is_ignored_by_jax():
4862 return self._wrap_jax(
lambda jm: jm)
4864 raise NotImplementedError(
4865 f
"No JAX implementation for {self} ({type(self)})")
4867 def __disown__(self):
4869 _IMP_kernel.disown_ScoreState(self)
4870 return weakref.proxy(self)
4873 r"""do_destroy(ScoreState self)"""
4874 return _IMP_kernel.ScoreState_do_destroy(self)
4876 def do_get_inputs(self):
4877 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4878 return _IMP_kernel.ScoreState_do_get_inputs(self)
4880 def do_get_outputs(self):
4881 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4882 return _IMP_kernel.ScoreState_do_get_outputs(self)
4884 def do_get_interactions(self):
4885 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4886 return _IMP_kernel.ScoreState_do_get_interactions(self)
4889 _IMP_kernel.ScoreState_swigregister(ScoreState)
4892 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4893 return _IMP_kernel.get_update_order(input)
4894 class Constraint(ScoreState):
4895 r"""Proxy of C++ IMP::Constraint class."""
4897 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4899 def __init__(self, *args):
4901 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4902 __init__(Constraint self) -> Constraint
4904 if self.__class__ == Constraint:
4908 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4910 if self.__class__ != Constraint:
4911 _director_objects.register(self)
4916 def do_update_attributes(self):
4917 r"""do_update_attributes(Constraint self)"""
4918 return _IMP_kernel.Constraint_do_update_attributes(self)
4920 def do_update_derivatives(self, da):
4921 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4922 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4924 def do_before_evaluate(self):
4925 r"""do_before_evaluate(Constraint self)"""
4926 return _IMP_kernel.Constraint_do_before_evaluate(self)
4928 def do_after_evaluate(self, da):
4929 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4930 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4931 __swig_destroy__ = _IMP_kernel.delete_Constraint
4934 r"""__str__(Constraint self) -> std::string"""
4935 return _IMP_kernel.Constraint___str__(self)
4938 r"""__repr__(Constraint self) -> std::string"""
4939 return _IMP_kernel.Constraint___repr__(self)
4943 return _object_cast_to_Constraint(o)
4946 def do_show(self, out):
4951 return _object_cast_to_Constraint(o)
4953 def __disown__(self):
4955 _IMP_kernel.disown_Constraint(self)
4956 return weakref.proxy(self)
4959 r"""do_destroy(Constraint self)"""
4960 return _IMP_kernel.Constraint_do_destroy(self)
4962 def do_get_inputs(self):
4963 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4964 return _IMP_kernel.Constraint_do_get_inputs(self)
4966 def do_get_outputs(self):
4967 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4968 return _IMP_kernel.Constraint_do_get_outputs(self)
4970 def do_get_interactions(self):
4971 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4972 return _IMP_kernel.Constraint_do_get_interactions(self)
4975 _IMP_kernel.Constraint_swigregister(Constraint)
4976 class Container(ModelObject):
4977 r"""Proxy of C++ IMP::Container class."""
4979 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4981 def __init__(self, *args):
4983 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4984 __init__(Container self) -> Container
4986 if self.__class__ == Container:
4990 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4992 if self.__class__ != Container:
4993 _director_objects.register(self)
4998 def do_get_contents_hash(self):
4999 r"""do_get_contents_hash(Container self) -> std::size_t"""
5000 return _IMP_kernel.Container_do_get_contents_hash(self)
5002 def get_all_possible_indexes(self):
5003 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
5004 return _IMP_kernel.Container_get_all_possible_indexes(self)
5006 def get_contents_hash(self):
5007 r"""get_contents_hash(Container self) -> std::size_t"""
5008 return _IMP_kernel.Container_get_contents_hash(self)
5010 def do_get_outputs(self):
5011 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
5012 return _IMP_kernel.Container_do_get_outputs(self)
5014 def get_is_decomposable(self):
5015 r"""get_is_decomposable(Container self) -> bool"""
5016 return _IMP_kernel.Container_get_is_decomposable(self)
5018 def validate_readable(self):
5019 r"""validate_readable(Container self)"""
5020 return _IMP_kernel.Container_validate_readable(self)
5022 def validate_writable(self):
5023 r"""validate_writable(Container self)"""
5024 return _IMP_kernel.Container_validate_writable(self)
5026 def set_is_readable(self, tf):
5027 r"""set_is_readable(Container self, bool tf)"""
5028 return _IMP_kernel.Container_set_is_readable(self, tf)
5030 def set_is_writable(self, tf):
5031 r"""set_is_writable(Container self, bool tf)"""
5032 return _IMP_kernel.Container_set_is_writable(self, tf)
5033 __swig_destroy__ = _IMP_kernel.delete_Container
5036 r"""__str__(Container self) -> std::string"""
5037 return _IMP_kernel.Container___str__(self)
5040 r"""__repr__(Container self) -> std::string"""
5041 return _IMP_kernel.Container___repr__(self)
5045 return _object_cast_to_Container(o)
5048 def do_show(self, out):
5053 return _object_cast_to_Container(o)
5055 def __disown__(self):
5057 _IMP_kernel.disown_Container(self)
5058 return weakref.proxy(self)
5061 r"""do_destroy(Container self)"""
5062 return _IMP_kernel.Container_do_destroy(self)
5064 def handle_set_has_required_score_states(self, arg0):
5065 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
5066 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5068 def do_get_inputs(self):
5069 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5070 return _IMP_kernel.Container_do_get_inputs(self)
5072 def do_get_interactions(self):
5073 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5074 return _IMP_kernel.Container_do_get_interactions(self)
5077 _IMP_kernel.Container_swigregister(Container)
5078 class RestraintInfo(
Object):
5079 r"""Proxy of C++ IMP::RestraintInfo class."""
5081 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5083 def __init__(self, *args):
5084 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5085 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5088 r"""clear(RestraintInfo self)"""
5089 return _IMP_kernel.RestraintInfo_clear(self)
5091 def add_int(self, key, value):
5092 r"""add_int(RestraintInfo self, std::string key, int value)"""
5093 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5095 def get_number_of_int(self):
5096 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5097 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5099 def get_int_key(self, i):
5100 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5101 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5103 def get_int_value(self, i):
5104 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5105 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5107 def add_float(self, key, value):
5108 r"""add_float(RestraintInfo self, std::string key, double value)"""
5109 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5111 def get_number_of_float(self):
5112 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5113 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5115 def get_float_key(self, i):
5116 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5117 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5119 def get_float_value(self, i):
5120 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5121 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5123 def add_string(self, key, value):
5124 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5125 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5127 def get_number_of_string(self):
5128 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5129 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5131 def get_string_key(self, i):
5132 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5133 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5135 def get_string_value(self, i):
5136 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5137 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5139 def add_filename(self, key, value):
5140 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5141 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5143 def get_number_of_filename(self):
5144 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5145 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5147 def get_filename_key(self, i):
5148 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5149 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5151 def get_filename_value(self, i):
5152 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5153 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5155 def add_floats(self, key, value):
5156 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5157 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5159 def get_number_of_floats(self):
5160 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5161 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5163 def get_floats_key(self, i):
5164 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5165 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5167 def get_floats_value(self, i):
5168 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5169 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5171 def add_ints(self, key, value):
5172 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5173 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5175 def get_number_of_ints(self):
5176 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5177 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5179 def get_ints_key(self, i):
5180 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5181 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5183 def get_ints_value(self, i):
5184 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5185 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5187 def add_strings(self, key, value):
5188 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5189 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5191 def get_number_of_strings(self):
5192 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5193 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5195 def get_strings_key(self, i):
5196 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5197 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5199 def get_strings_value(self, i):
5200 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5201 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5203 def add_filenames(self, key, value):
5204 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5205 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5207 def get_number_of_filenames(self):
5208 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5209 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5211 def get_filenames_key(self, i):
5212 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5213 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5215 def get_filenames_value(self, i):
5216 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5217 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5219 def add_particle_indexes(self, key, value):
5220 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5221 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5223 def get_number_of_particle_indexes(self):
5224 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5225 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5227 def get_particle_indexes_key(self, i):
5228 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5229 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5231 def get_particle_indexes_value(self, i):
5232 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5233 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5236 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5237 return _IMP_kernel.RestraintInfo_get_version_info(self)
5238 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5241 r"""__str__(RestraintInfo self) -> std::string"""
5242 return _IMP_kernel.RestraintInfo___str__(self)
5245 r"""__repr__(RestraintInfo self) -> std::string"""
5246 return _IMP_kernel.RestraintInfo___repr__(self)
5250 return _object_cast_to_RestraintInfo(o)
5254 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5255 class Restraint(ModelObject):
5256 r"""Proxy of C++ IMP::Restraint class."""
5258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5260 def __init__(self, *args):
5262 __init__(Restraint self, Model m, std::string name) -> Restraint
5263 __init__(Restraint self) -> Restraint
5265 if self.__class__ == Restraint:
5269 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5271 if self.__class__ != Restraint:
5272 _director_objects.register(self)
5277 def get_score(self):
5278 r"""get_score(Restraint self) -> double"""
5279 return _IMP_kernel.Restraint_get_score(self)
5281 def evaluate(self, calc_derivs):
5282 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5283 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5285 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5286 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5287 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5289 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5290 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5291 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5293 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5294 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5295 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5297 def evaluate_if_good(self, calc_derivatives):
5298 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5299 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5301 def evaluate_if_below(self, calc_derivatives, max):
5302 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5303 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5305 def unprotected_evaluate(self, da):
5306 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5307 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5309 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5310 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5311 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5313 def unprotected_evaluate_if_good(self, da, max):
5314 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5315 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5317 def unprotected_evaluate_if_below(self, da, max):
5318 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5319 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5321 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5322 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5323 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5325 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5326 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5327 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
5329 def get_static_info(self):
5330 r"""get_static_info(Restraint self) -> RestraintInfo"""
5331 return _IMP_kernel.Restraint_get_static_info(self)
5333 def get_dynamic_info(self):
5334 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5335 return _IMP_kernel.Restraint_get_dynamic_info(self)
5337 def add_score_and_derivatives(self, sa):
5338 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5339 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5341 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5342 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5343 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5346 r"""create_decomposition(Restraint self) -> Restraint"""
5347 return _IMP_kernel.Restraint_create_decomposition(self)
5349 def create_current_decomposition(self):
5350 r"""create_current_decomposition(Restraint self) -> Restraint"""
5351 return _IMP_kernel.Restraint_create_current_decomposition(self)
5353 def set_weight(self, weight):
5354 r"""set_weight(Restraint self, IMP::Float weight)"""
5355 return _IMP_kernel.Restraint_set_weight(self, weight)
5357 def get_weight(self):
5358 r"""get_weight(Restraint self) -> IMP::Float"""
5359 return _IMP_kernel.Restraint_get_weight(self)
5361 def get_maximum_score(self):
5362 r"""get_maximum_score(Restraint self) -> double"""
5363 return _IMP_kernel.Restraint_get_maximum_score(self)
5365 def set_maximum_score(self, s):
5366 r"""set_maximum_score(Restraint self, double s)"""
5367 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5370 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5371 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5373 def set_last_score(self, s):
5374 r"""set_last_score(Restraint self, double s)"""
5375 return _IMP_kernel.Restraint_set_last_score(self, s)
5377 def set_last_last_score(self, s):
5378 r"""set_last_last_score(Restraint self, double s)"""
5379 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5381 def get_last_score(self):
5382 r"""get_last_score(Restraint self) -> double"""
5383 return _IMP_kernel.Restraint_get_last_score(self)
5385 def get_last_last_score(self):
5386 r"""get_last_last_score(Restraint self) -> double"""
5387 return _IMP_kernel.Restraint_get_last_last_score(self)
5389 def get_is_aggregate(self):
5390 r"""get_is_aggregate(Restraint self) -> bool"""
5391 return _IMP_kernel.Restraint_get_is_aggregate(self)
5393 def get_was_good(self):
5394 r"""get_was_good(Restraint self) -> bool"""
5395 return _IMP_kernel.Restraint_get_was_good(self)
5396 __swig_destroy__ = _IMP_kernel.delete_Restraint
5398 def do_create_decomposition(self):
5399 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5400 return _IMP_kernel.Restraint_do_create_decomposition(self)
5402 def do_create_current_decomposition(self):
5403 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5404 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5406 def do_add_score_and_derivatives(self, sa):
5407 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5408 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5410 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5411 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5412 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5414 def do_get_outputs(self):
5415 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5416 return _IMP_kernel.Restraint_do_get_outputs(self)
5417 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5420 r"""__str__(Restraint self) -> std::string"""
5421 return _IMP_kernel.Restraint___str__(self)
5424 r"""__repr__(Restraint self) -> std::string"""
5425 return _IMP_kernel.Restraint___repr__(self)
5429 return _object_cast_to_Restraint(o)
5432 def do_show(self, out):
5437 return _object_cast_to_Restraint(o)
5440 def _wrap_jax(self, score_func, keys=None):
5441 """Create the return value for _get_jax.
5442 Use this method in _get_jax() to wrap the JAX scoring function
5443 with other model- and restraint-specific information.
5445 @param score_func A function implemented using JAX that takes
5446 a single argument (the current JAX Model) and returns
5447 the score of the restraint.
5448 @param keys If given, a set of IMP::Key objects describing Model
5449 attributes (other than xyz and radius) that the restraint
5450 uses. For example, a restraint that uses electrostatic charge
5451 would pass IMP::atom::Charged::get_charge_key() here.
5453 from IMP._jax_util
import JAXRestraintInfo
5454 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5455 weight=self.get_weight(), keys=keys)
5458 """Return a JAX implementation of this Restraint.
5459 Implement this method in a Restraint subclass to provide
5460 an equivalent function using [JAX](https://docs.jax.dev/)
5461 that scores the current JAX Model. See also _wrap_jax.
5463 raise NotImplementedError(
5464 f
"No JAX implementation for {self} ({type(self)})")
5466 def _evaluate_jax(self):
5467 """Similar to evaluate(False), but using JAX.
5468 This is intended to be useful for testing purposes. It will likely
5469 not be particularly fast as it will copy the IMP Model and
5470 jax.jit-compile the scoring function each time."""
5472 ji = self._get_jax()
5473 jm = ji.get_jax_model()
5474 j = jax.jit(ji.score_func)
5477 def __disown__(self):
5479 _IMP_kernel.disown_Restraint(self)
5480 return weakref.proxy(self)
5483 r"""do_destroy(Restraint self)"""
5484 return _IMP_kernel.Restraint_do_destroy(self)
5486 def handle_set_has_required_score_states(self, arg0):
5487 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5488 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5490 def do_get_inputs(self):
5491 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5492 return _IMP_kernel.Restraint_do_get_inputs(self)
5494 def do_get_interactions(self):
5495 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5496 return _IMP_kernel.Restraint_do_get_interactions(self)
5499 _IMP_kernel.Restraint_swigregister(Restraint)
5500 class _RestraintsAdaptor(_InputAdaptor):
5501 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5503 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5504 __repr__ = _swig_repr
5506 def __init__(self, *args):
5508 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5509 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5510 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5511 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5513 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5514 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5517 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5518 class RestraintSet(Restraint):
5519 r"""Proxy of C++ IMP::RestraintSet class."""
5521 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5523 def __init__(self, *args):
5525 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5526 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5527 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5528 __init__(RestraintSet self) -> RestraintSet
5530 if self.__class__ == RestraintSet:
5534 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5536 if self.__class__ != RestraintSet:
5537 _director_objects.register(self)
5542 def unprotected_evaluate(self, da):
5543 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5544 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5546 def get_type_name(self):
5547 r"""get_type_name(RestraintSet self) -> std::string"""
5548 return _IMP_kernel.RestraintSet_get_type_name(self)
5551 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5552 return _IMP_kernel.RestraintSet_get_version_info(self)
5553 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5554 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)
5555 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5556 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5557 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5559 def remove_restraint(self, d):
5560 r"""remove_restraint(RestraintSet self, Restraint d)"""
5561 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5563 def _python_index_restraint(self, d, start, stop):
5564 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5565 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5567 def remove_restraints(self, d):
5568 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5569 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5571 def set_restraints(self, ps):
5572 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5573 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5575 def set_restraints_order(self, objs):
5576 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5577 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5580 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5581 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5584 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5585 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5587 def clear_restraints(self):
5588 r"""clear_restraints(RestraintSet self)"""
5589 return _IMP_kernel.RestraintSet_clear_restraints(self)
5591 def get_number_of_restraints(self):
5592 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5593 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5595 def get_has_restraints(self):
5596 r"""get_has_restraints(RestraintSet self) -> bool"""
5597 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5599 def get_restraint(self, i):
5600 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5601 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5603 def get_restraints(self):
5604 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5605 return _IMP_kernel.RestraintSet_get_restraints(self)
5607 def erase_restraint(self, i):
5608 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5609 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5611 def reserve_restraints(self, sz):
5612 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5613 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5615 def get_non_sets_and_sets(self):
5616 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5617 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5619 def do_get_inputs(self):
5620 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5621 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5624 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5625 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5627 def get_last_score(self):
5628 r"""get_last_score(RestraintSet self) -> double"""
5629 return _IMP_kernel.RestraintSet_get_last_score(self)
5632 r"""__str__(RestraintSet self) -> std::string"""
5633 return _IMP_kernel.RestraintSet___str__(self)
5636 r"""__repr__(RestraintSet self) -> std::string"""
5637 return _IMP_kernel.RestraintSet___repr__(self)
5641 return _object_cast_to_RestraintSet(o)
5644 def do_show(self, out):
5649 return _object_cast_to_RestraintSet(o)
5652 def _get_as_binary(self):
5653 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5654 return _IMP_kernel.RestraintSet__get_as_binary(self)
5656 def _set_from_binary(self, p):
5657 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5658 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5660 def __getstate__(self):
5661 p = self._get_as_binary()
5662 if len(self.__dict__) > 1:
5663 d = self.__dict__.copy()
5668 def __setstate__(self, p):
5669 if not hasattr(self,
'this'):
5671 if isinstance(p, tuple):
5673 self.__dict__.update(d)
5674 return self._set_from_binary(p)
5677 def _get_restraint_jax_funcs_keys(self):
5678 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
5679 funcs = [j.score_func
for j
in jis]
5680 keys = frozenset(x
for j
in jis
for x
in j._keys)
5684 funcs, keys = self._get_restraint_jax_funcs_keys()
5687 return sum(f(jm)
for f
in funcs)
5691 return self._wrap_jax(jax_sf, keys=keys)
5693 def __disown__(self):
5695 _IMP_kernel.disown_RestraintSet(self)
5696 return weakref.proxy(self)
5699 r"""do_destroy(RestraintSet self)"""
5700 return _IMP_kernel.RestraintSet_do_destroy(self)
5702 def handle_set_has_required_score_states(self, arg0):
5703 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5704 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5706 def do_get_outputs(self):
5707 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5708 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5710 def do_get_interactions(self):
5711 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5712 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5714 def do_create_decomposition(self):
5715 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5716 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5718 def do_create_current_decomposition(self):
5719 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5720 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5722 def do_add_score_and_derivatives(self, sa):
5723 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5724 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5726 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5727 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5728 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5731 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5733 def get_restraints(rs):
5734 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5735 return _IMP_kernel.get_restraints(rs)
5737 def _check_particle(p, a):
5738 if (
not p.get_is_active()):
5739 raise ValueError(
"Inactive Particle")
5740 if (type(a)() == a):
5741 raise IndexError(
"Cannot use default Index")
5742 if (
not p.has_attribute(a)):
5743 raise IndexError(
"Particle does not have attribute")
5745 class Particle(ModelObject):
5746 r"""Proxy of C++ IMP::Particle class."""
5748 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5751 r"""get_version_info(Particle self) -> VersionInfo"""
5752 return _IMP_kernel.Particle_get_version_info(self)
5753 __swig_destroy__ = _IMP_kernel.delete_Particle
5755 def __init__(self, *args):
5757 __init__(Particle self, Model m, std::string name) -> Particle
5758 __init__(Particle self, Model m) -> Particle
5759 __init__(Particle self) -> Particle
5761 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5763 def get_float_keys(self):
5764 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5765 return _IMP_kernel.Particle_get_float_keys(self)
5767 def get_floats_keys(self):
5768 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5769 return _IMP_kernel.Particle_get_floats_keys(self)
5771 def get_int_keys(self):
5772 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5773 return _IMP_kernel.Particle_get_int_keys(self)
5775 def get_ints_keys(self):
5776 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5777 return _IMP_kernel.Particle_get_ints_keys(self)
5779 def get_string_keys(self):
5780 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5781 return _IMP_kernel.Particle_get_string_keys(self)
5783 def get_object_keys(self):
5784 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5785 return _IMP_kernel.Particle_get_object_keys(self)
5787 def add_cache_attribute(self, *args):
5789 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5790 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5791 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5792 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5793 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5794 add_cache_attribute(Particle self, ObjectKey name, Object value)
5795 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5797 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5799 def get_weak_object_keys(self):
5800 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5801 return _IMP_kernel.Particle_get_weak_object_keys(self)
5803 def add_to_derivative(self, *args):
5805 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5806 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5807 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5809 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5811 def set_is_optimized(self, *args):
5813 set_is_optimized(Particle self, FloatKey k, bool tf)
5814 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5815 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5817 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5819 def get_is_optimized(self, *args):
5821 get_is_optimized(Particle self, FloatKey k) -> bool
5822 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5823 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5825 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5827 def get_derivative(self, *args):
5829 get_derivative(Particle self, FloatKey k) -> IMP::Float
5830 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5831 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5833 return _IMP_kernel.Particle_get_derivative(self, *args)
5835 def add_attribute(self, *args):
5837 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5838 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5839 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5840 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5841 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5842 add_attribute(Particle self, ObjectKey name, Object initial_value)
5843 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5844 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5845 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5846 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5847 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5848 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5849 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5851 return _IMP_kernel.Particle_add_attribute(self, *args)
5853 def has_attribute(self, *args):
5855 has_attribute(Particle self, FloatKey name) -> bool
5856 has_attribute(Particle self, FloatsKey name) -> bool
5857 has_attribute(Particle self, IntKey name) -> bool
5858 has_attribute(Particle self, IntsKey name) -> bool
5859 has_attribute(Particle self, StringKey name) -> bool
5860 has_attribute(Particle self, ObjectKey name) -> bool
5861 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5862 has_attribute(Particle self, SparseStringKey name) -> bool
5863 has_attribute(Particle self, SparseIntKey name) -> bool
5864 has_attribute(Particle self, SparseFloatKey name) -> bool
5865 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5866 has_attribute(Particle self, ParticleIndexKey k) -> bool
5868 return _IMP_kernel.Particle_has_attribute(self, *args)
5870 def set_value(self, *args):
5872 set_value(Particle self, FloatKey name, IMP::Float value)
5873 set_value(Particle self, FloatsKey name, IMP::Floats value)
5874 set_value(Particle self, IntKey name, IMP::Int value)
5875 set_value(Particle self, IntsKey name, IMP::Ints value)
5876 set_value(Particle self, StringKey name, IMP::String value)
5877 set_value(Particle self, ObjectKey name, Object value)
5878 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5879 set_value(Particle self, SparseStringKey name, IMP::String value)
5880 set_value(Particle self, SparseIntKey name, IMP::Int value)
5881 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5882 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5883 set_value(Particle self, ParticleIndexKey k, Particle v)
5885 return _IMP_kernel.Particle_set_value(self, *args)
5887 def get_value(self, *args):
5889 get_value(Particle self, FloatKey name) -> IMP::Float
5890 get_value(Particle self, FloatsKey name) -> IMP::Floats
5891 get_value(Particle self, IntKey name) -> IMP::Int
5892 get_value(Particle self, IntsKey name) -> IMP::Ints
5893 get_value(Particle self, StringKey name) -> IMP::String
5894 get_value(Particle self, ObjectKey name) -> Object
5895 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5896 get_value(Particle self, SparseStringKey name) -> IMP::String
5897 get_value(Particle self, SparseIntKey name) -> IMP::Int
5898 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5899 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5900 get_value(Particle self, ParticleIndexKey k) -> Particle
5902 return _IMP_kernel.Particle_get_value(self, *args)
5904 def remove_attribute(self, *args):
5906 remove_attribute(Particle self, FloatKey name)
5907 remove_attribute(Particle self, FloatsKey name)
5908 remove_attribute(Particle self, IntKey name)
5909 remove_attribute(Particle self, IntsKey name)
5910 remove_attribute(Particle self, StringKey name)
5911 remove_attribute(Particle self, ObjectKey name)
5912 remove_attribute(Particle self, IMP::WeakObjectKey name)
5913 remove_attribute(Particle self, SparseStringKey name)
5914 remove_attribute(Particle self, SparseIntKey name)
5915 remove_attribute(Particle self, SparseFloatKey name)
5916 remove_attribute(Particle self, SparseParticleIndexKey name)
5917 remove_attribute(Particle self, ParticleIndexKey k)
5919 return _IMP_kernel.Particle_remove_attribute(self, *args)
5921 def get_particle_keys(self):
5922 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5923 return _IMP_kernel.Particle_get_particle_keys(self)
5925 def show(self, *args):
5926 r"""show(Particle self, _ostream out=std::cout)"""
5927 return _IMP_kernel.Particle_show(self, *args)
5929 def get_is_active(self):
5930 r"""get_is_active(Particle self) -> bool"""
5931 return _IMP_kernel.Particle_get_is_active(self)
5934 r"""get_index(Particle self) -> ParticleIndex"""
5935 return _IMP_kernel.Particle_get_index(self)
5937 def __eq__(self, *args):
5939 __eq__(Particle self, Particle o) -> bool
5940 __eq__(Particle self, Decorator d) -> bool
5942 return _IMP_kernel.Particle___eq__(self, *args)
5944 def __ne__(self, *args):
5946 __ne__(Particle self, Particle o) -> bool
5947 __ne__(Particle self, Decorator d) -> bool
5949 return _IMP_kernel.Particle___ne__(self, *args)
5951 def __le__(self, *args):
5953 __le__(Particle self, Particle o) -> bool
5954 __le__(Particle self, Decorator d) -> bool
5956 return _IMP_kernel.Particle___le__(self, *args)
5958 def __lt__(self, *args):
5960 __lt__(Particle self, Particle o) -> bool
5961 __lt__(Particle self, Decorator d) -> bool
5963 return _IMP_kernel.Particle___lt__(self, *args)
5965 def __ge__(self, *args):
5967 __ge__(Particle self, Particle o) -> bool
5968 __ge__(Particle self, Decorator d) -> bool
5970 return _IMP_kernel.Particle___ge__(self, *args)
5972 def __gt__(self, *args):
5974 __gt__(Particle self, Particle o) -> bool
5975 __gt__(Particle self, Decorator d) -> bool
5977 return _IMP_kernel.Particle___gt__(self, *args)
5979 __hash__ = ModelObject.__hash__
5983 r"""__str__(Particle self) -> std::string"""
5984 return _IMP_kernel.Particle___str__(self)
5987 r"""__repr__(Particle self) -> std::string"""
5988 return _IMP_kernel.Particle___repr__(self)
5992 return _object_cast_to_Particle(o)
5995 def _get_as_binary(self):
5996 r"""_get_as_binary(Particle self) -> PyObject *"""
5997 return _IMP_kernel.Particle__get_as_binary(self)
5999 def _set_from_binary(self, p):
6000 r"""_set_from_binary(Particle self, PyObject * p)"""
6001 return _IMP_kernel.Particle__set_from_binary(self, p)
6003 def __getstate__(self):
6004 p = self._get_as_binary()
6005 if len(self.__dict__) > 1:
6006 d = self.__dict__.copy()
6011 def __setstate__(self, p):
6012 if not hasattr(self,
'this'):
6014 if isinstance(p, tuple):
6016 self.__dict__.update(d)
6017 return self._set_from_binary(p)
6021 _IMP_kernel.Particle_swigregister(Particle)
6022 class _ParticleAdaptor(_InputAdaptor):
6023 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6026 __repr__ = _swig_repr
6028 def __init__(self, *args):
6030 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6031 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6032 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6034 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6036 def get_model(self):
6037 r"""get_model(_ParticleAdaptor self) -> Model"""
6038 return _IMP_kernel._ParticleAdaptor_get_model(self)
6040 def get_particle_index(self):
6041 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6042 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6043 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6046 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6047 class _DependencyGraphVertexIndex(object):
6048 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6051 __repr__ = _swig_repr
6054 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6055 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6056 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6059 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6061 def show_as_graphviz(name, out):
6062 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6063 return _IMP_kernel.show_as_graphviz(name, out)
6065 def get_vertex_index(g):
6066 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6067 return _IMP_kernel.get_vertex_index(g)
6070 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6071 return _IMP_kernel.get_dependency_graph(m)
6074 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6075 return _IMP_kernel.get_pruned_dependency_graph(m)
6077 def get_dependent_particles(p, all, dg, index):
6078 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6079 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6081 def get_required_score_states(*args):
6083 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6084 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6085 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6087 return _IMP_kernel.get_required_score_states(*args)
6088 class ScoringFunction(ModelObject):
6089 r"""Proxy of C++ IMP::ScoringFunction class."""
6091 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6093 def do_add_score_and_derivatives(self, sa, ss):
6094 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6095 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6097 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6098 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)"""
6099 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6101 def get_score_accumulator_if_below(self, deriv, max):
6102 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6103 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6105 def get_score_accumulator_if_good(self, deriv):
6106 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6107 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6109 def get_score_accumulator(self, deriv):
6110 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6111 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6113 def __init__(self, *args):
6115 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6116 __init__(ScoringFunction self) -> ScoringFunction
6118 if self.__class__ == ScoringFunction:
6122 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6124 if self.__class__ != ScoringFunction:
6125 _director_objects.register(self)
6130 def do_get_outputs(self):
6131 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6132 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6134 def evaluate(self, derivatives):
6135 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6136 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6138 def evaluate_if_good(self, derivatives):
6139 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6140 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6142 def evaluate_if_below(self, derivatives, max):
6143 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6144 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6146 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6147 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6148 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6150 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6151 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6152 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6154 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6155 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6156 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6158 def get_had_good_score(self):
6159 r"""get_had_good_score(ScoringFunction self) -> bool"""
6160 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6162 def get_last_score(self):
6163 r"""get_last_score(ScoringFunction self) -> double"""
6164 return _IMP_kernel.ScoringFunction_get_last_score(self)
6167 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6168 return _IMP_kernel.ScoringFunction_create_restraints(self)
6170 def get_single_restraint(self):
6171 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6172 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6175 r"""__str__(ScoringFunction self) -> std::string"""
6176 return _IMP_kernel.ScoringFunction___str__(self)
6179 r"""__repr__(ScoringFunction self) -> std::string"""
6180 return _IMP_kernel.ScoringFunction___repr__(self)
6184 return _object_cast_to_ScoringFunction(o)
6187 def do_show(self, out):
6192 return _object_cast_to_ScoringFunction(o)
6196 r = self.get_single_restraint()
6198 raise NotImplementedError(
6199 f
"No JAX implementation for {self} ({type(self)})")
6201 return r.get_derived_object()._get_jax()
6203 def _evaluate_jax(self):
6204 """Similar to evaluate(False), but using JAX.
6205 This is intended to be useful for testing purposes. It will likely
6206 not be particularly fast as it will copy the IMP Model and
6207 jax.jit-compile the scoring function each time."""
6209 ji = self._get_jax()
6210 jm = ji.get_jax_model()
6211 j = jax.jit(ji.score_func)
6214 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6215 def __disown__(self):
6217 _IMP_kernel.disown_ScoringFunction(self)
6218 return weakref.proxy(self)
6221 r"""do_destroy(ScoringFunction self)"""
6222 return _IMP_kernel.ScoringFunction_do_destroy(self)
6224 def handle_set_has_required_score_states(self, arg0):
6225 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6226 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6228 def do_get_inputs(self):
6229 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6230 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6232 def do_get_interactions(self):
6233 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6234 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6237 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6241 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6242 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6244 return _IMP_kernel.create_decomposition(*args)
6245 class _ScoringFunctionAdaptor(_InputAdaptor):
6246 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6249 __repr__ = _swig_repr
6251 def __init__(self, *args):
6253 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6254 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6255 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6256 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6257 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6259 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6260 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6263 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6266 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6267 return _IMP_kernel.show_restraint_hierarchy(*args)
6268 class Undecorator(
Object):
6269 r"""Proxy of C++ IMP::Undecorator class."""
6271 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6273 def __init__(self, m, name):
6274 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6275 if self.__class__ == Undecorator:
6279 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6281 if self.__class__ != Undecorator:
6282 _director_objects.register(self)
6287 def teardown(self, pi):
6288 r"""teardown(Undecorator self, ParticleIndex pi)"""
6289 return _IMP_kernel.Undecorator_teardown(self, pi)
6292 r"""__str__(Undecorator self) -> std::string"""
6293 return _IMP_kernel.Undecorator___str__(self)
6296 r"""__repr__(Undecorator self) -> std::string"""
6297 return _IMP_kernel.Undecorator___repr__(self)
6301 return _object_cast_to_Undecorator(o)
6304 def do_show(self, out):
6309 return _object_cast_to_Undecorator(o)
6311 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6312 def __disown__(self):
6314 _IMP_kernel.disown_Undecorator(self)
6315 return weakref.proxy(self)
6318 r"""do_destroy(Undecorator self)"""
6319 return _IMP_kernel.Undecorator_do_destroy(self)
6322 _IMP_kernel.Undecorator_swigregister(Undecorator)
6324 r"""Proxy of C++ IMP::Model class."""
6326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6328 def __init__(self, *args):
6329 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6330 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6332 if self
not in _models_set:
6333 _models_set.add(self)
6338 def clear_particle_caches(self, pi):
6339 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6340 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6343 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6344 return _IMP_kernel.Model_add_particle(self, name)
6346 def get_particle_name(self, pi):
6347 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6348 return _IMP_kernel.Model_get_particle_name(self, pi)
6350 def add_undecorator(self, pi, d):
6351 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6352 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6354 def get_dependent_restraints_uncached(self, pi):
6355 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6356 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6358 def get_dependent_particles_uncached(self, pi):
6359 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6360 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6362 def get_dependent_score_states_uncached(self, pi):
6363 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6364 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6365 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)
6366 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6367 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6368 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6370 def remove_score_state(self, d):
6371 r"""remove_score_state(Model self, ScoreState d)"""
6372 return _IMP_kernel.Model_remove_score_state(self, d)
6374 def _python_index_score_state(self, d, start, stop):
6375 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6376 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6378 def remove_score_states(self, d):
6379 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6380 return _IMP_kernel.Model_remove_score_states(self, d)
6382 def set_score_states(self, ps):
6383 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6384 return _IMP_kernel.Model_set_score_states(self, ps)
6386 def set_score_states_order(self, objs):
6387 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6388 return _IMP_kernel.Model_set_score_states_order(self, objs)
6390 def add_score_state(self, obj):
6391 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6392 return _IMP_kernel.Model_add_score_state(self, obj)
6394 def add_score_states(self, objs):
6395 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6396 return _IMP_kernel.Model_add_score_states(self, objs)
6398 def clear_score_states(self):
6399 r"""clear_score_states(Model self)"""
6400 return _IMP_kernel.Model_clear_score_states(self)
6402 def get_number_of_score_states(self):
6403 r"""get_number_of_score_states(Model self) -> unsigned int"""
6404 return _IMP_kernel.Model_get_number_of_score_states(self)
6406 def get_has_score_states(self):
6407 r"""get_has_score_states(Model self) -> bool"""
6408 return _IMP_kernel.Model_get_has_score_states(self)
6410 def get_score_state(self, i):
6411 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6412 return _IMP_kernel.Model_get_score_state(self, i)
6414 def get_score_states(self):
6415 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6416 return _IMP_kernel.Model_get_score_states(self)
6418 def erase_score_state(self, i):
6419 r"""erase_score_state(Model self, unsigned int i)"""
6420 return _IMP_kernel.Model_erase_score_state(self, i)
6422 def reserve_score_states(self, sz):
6423 r"""reserve_score_states(Model self, unsigned int sz)"""
6424 return _IMP_kernel.Model_reserve_score_states(self, sz)
6427 r"""update(Model self)"""
6428 return _IMP_kernel.Model_update(self)
6430 def get_ordered_score_states(self):
6431 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6432 return _IMP_kernel.Model_get_ordered_score_states(self)
6434 def add_cache_attribute(self, *args):
6436 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6437 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6438 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6439 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6440 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6441 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6442 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6443 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6444 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6445 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6446 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6447 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6448 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6450 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6452 def add_attribute(self, *args):
6454 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6455 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6456 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6457 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6458 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6459 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6460 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6461 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6462 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6463 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6464 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6465 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6466 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6467 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6468 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6469 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6470 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6472 return _IMP_kernel.Model_add_attribute(self, *args)
6474 def remove_attribute(self, *args):
6476 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6477 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6478 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6479 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6480 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6481 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6482 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6483 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6484 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6485 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6486 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6487 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6488 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6489 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6490 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6491 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6492 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6494 return _IMP_kernel.Model_remove_attribute(self, *args)
6496 def get_has_attribute(self, *args):
6498 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6499 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6500 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6501 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6502 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6503 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6504 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6505 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6506 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6507 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6508 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6509 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6510 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6511 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6512 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6513 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6514 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6516 return _IMP_kernel.Model_get_has_attribute(self, *args)
6518 def set_attribute(self, *args):
6520 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6521 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6522 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6523 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6524 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6525 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6526 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6527 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6528 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6529 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6530 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6531 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6532 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6533 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6534 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6535 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6536 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6538 return _IMP_kernel.Model_set_attribute(self, *args)
6540 def get_attribute(self, *args):
6542 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6543 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6544 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6545 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6546 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6547 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6548 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6549 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6550 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6551 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6552 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6553 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6554 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6555 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6556 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6557 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6558 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6560 return _IMP_kernel.Model_get_attribute(self, *args)
6562 def set_is_optimized(self, *args):
6564 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6565 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6566 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6568 return _IMP_kernel.Model_set_is_optimized(self, *args)
6570 def add_to_derivative(self, *args):
6572 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6573 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6574 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6576 return _IMP_kernel.Model_add_to_derivative(self, *args)
6578 def get_particle(self, p):
6579 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6580 return _IMP_kernel.Model_get_particle(self, p)
6582 def get_has_particle(self, p):
6583 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6584 return _IMP_kernel.Model_get_has_particle(self, p)
6587 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6588 return _IMP_kernel.Model_get_particle_indexes(self)
6590 def get_model_objects(self):
6591 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6592 return _IMP_kernel.Model_get_model_objects(self)
6594 def remove_particle(self, pi):
6595 r"""remove_particle(Model self, ParticleIndex pi)"""
6596 return _IMP_kernel.Model_remove_particle(self, pi)
6598 def add_data(self, mk, o):
6599 r"""add_data(Model self, ModelKey mk, Object o)"""
6600 return _IMP_kernel.Model_add_data(self, mk, o)
6602 def get_data(self, mk):
6603 r"""get_data(Model self, ModelKey mk) -> Object"""
6604 return _IMP_kernel.Model_get_data(self, mk)
6606 def remove_data(self, mk):
6607 r"""remove_data(Model self, ModelKey mk)"""
6608 return _IMP_kernel.Model_remove_data(self, mk)
6610 def get_has_data(self, mk):
6611 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6612 return _IMP_kernel.Model_get_has_data(self, mk)
6615 r"""get_age(Model self) -> unsigned int"""
6616 return _IMP_kernel.Model_get_age(self)
6618 def get_trigger_last_updated(self, tk):
6619 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6620 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6622 def set_trigger_updated(self, tk):
6623 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6624 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6626 def get_dependencies_updated(self):
6627 r"""get_dependencies_updated(Model self) -> unsigned int"""
6628 return _IMP_kernel.Model_get_dependencies_updated(self)
6630 def get_removed_particles_attributes_age(self):
6631 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6632 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6634 def save_dependencies(self):
6635 r"""save_dependencies(Model self)"""
6636 return _IMP_kernel.Model_save_dependencies(self)
6638 def restore_dependencies(self):
6639 r"""restore_dependencies(Model self)"""
6640 return _IMP_kernel.Model_restore_dependencies(self)
6642 def get_particles_size(self):
6643 r"""get_particles_size(Model self) -> unsigned int"""
6644 return _IMP_kernel.Model_get_particles_size(self)
6646 def get_unique_id(self):
6647 r"""get_unique_id(Model self) -> uint32_t"""
6648 return _IMP_kernel.Model_get_unique_id(self)
6651 def get_by_unique_id(id):
6652 r"""get_by_unique_id(uint32_t id) -> Model"""
6653 return _IMP_kernel.Model_get_by_unique_id(id)
6656 r"""get_version_info(Model self) -> VersionInfo"""
6657 return _IMP_kernel.Model_get_version_info(self)
6658 __swig_destroy__ = _IMP_kernel.delete_Model
6660 r"""__del__(Model self)"""
6662 _director_objects.cleanup()
6669 r"""do_destroy(Model self)"""
6670 return _IMP_kernel.Model_do_destroy(self)
6673 r"""__str__(Model self) -> std::string"""
6674 return _IMP_kernel.Model___str__(self)
6677 r"""__repr__(Model self) -> std::string"""
6678 return _IMP_kernel.Model___repr__(self)
6682 return _object_cast_to_Model(o)
6685 def _get_as_binary(self):
6686 r"""_get_as_binary(Model self) -> PyObject *"""
6687 return _IMP_kernel.Model__get_as_binary(self)
6689 def _set_from_binary(self, p):
6690 r"""_set_from_binary(Model self, PyObject * p)"""
6691 return _IMP_kernel.Model__set_from_binary(self, p)
6693 def __getstate__(self):
6694 p = self._get_as_binary()
6695 if len(self.__dict__) > 1:
6696 d = self.__dict__.copy()
6701 def __setstate__(self, p):
6702 if not hasattr(self,
'this'):
6704 if isinstance(p, tuple):
6706 self.__dict__.update(d)
6707 return self._set_from_binary(p)
6711 """Get the model's attribute array for IntKey k as a NumPy array.
6712 The array is indexed by ParticleIndex; particles that don't have
6713 this attribute will either be off the end of the array or will have
6715 This is a NumPy view that shares memory with the Model. Thus,
6716 any changes to values in this list will be reflected in the Model.
6717 Also, if the Model attribute array moves in memory (e.g. if particles
6718 or attributes are added) this array will be invalidated, so it is
6719 unsafe to keep it around long term.
6720 If read_only is set True, values in the array cannot be changed.
6722 return _get_ints_numpy(self, k, self, read_only)
6725 """Get the model's attribute array for any type of Key
6726 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6727 _numpy_meth_map = {IntKey: _get_ints_numpy,
6728 FloatKey: _get_floats_numpy,
6729 Vector3DKey: _get_vector3ds_numpy,
6730 Vector3DDerivKey: _get_vector3dderiv_numpy,
6731 Vector4DKey: _get_vector4ds_numpy,
6732 Vector4DDerivKey: _get_vector4dderiv_numpy,
6733 ParticleIndexKey: _get_particle_indexes_numpy}
6734 return _numpy_meth_map[type(k)](self, k, self, read_only)
6737 """Get the model's attribute array for FloatKey k as a NumPy array.
6738 See Model::get_ints_numpy() for more details."""
6739 return _get_floats_numpy(self, k, self, read_only)
6742 """Get the model's attribute derivatives array for key k
6743 as a NumPy array. See Model::get_ints_numpy() for more details."""
6745 FloatKey: _get_derivatives_numpy,
6746 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6747 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6748 return _numpy_meth_map[type(k)](self, k, self, read_only)
6751 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6752 See Model::get_ints_numpy() for more details."""
6753 return _get_vector3ds_numpy(self, k, self, read_only)
6756 """Get the model's XYZR attribute arrays as NumPy arrays.
6757 The attribute arrays for Cartesian coordinates and radii are
6758 stored separately from those for other FloatKeys. This function
6759 returns a tuple of two NumPy arrays, the first of coordinates and
6760 the second of radii. See Model::get_ints_numpy() for more details."""
6761 return _get_spheres_numpy(self, self, read_only)
6764 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6765 See Model::get_ints_numpy() for more details."""
6766 return _get_sphere_derivatives_numpy(self, self, read_only)
6769 """Get the model's internal coordinate array as a NumPy array.
6770 The attribute arrays for rigid body internal coordinates are
6771 stored separately from those for other FloatKeys.
6772 See Model::get_ints_numpy() for more details."""
6773 return _get_internal_coordinates_numpy(self, self, read_only)
6776 """Get the model's internal coordinate derivative array as a
6778 See Model::get_ints_numpy() for more details."""
6779 return _get_internal_coordinate_derivatives_numpy(
6780 self, self, read_only)
6784 _IMP_kernel.Model_swigregister(Model)
6786 r"""Proxy of C++ IMP::Decorator class."""
6788 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6789 __repr__ = _swig_repr
6791 def __init__(self, p):
6792 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6793 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6795 def __ne__(self, o):
6796 r"""__ne__(Decorator self, Object o) -> bool"""
6797 return _IMP_kernel.Decorator___ne__(self, o)
6799 def __lt__(self, o):
6800 r"""__lt__(Decorator self, Object o) -> bool"""
6801 return _IMP_kernel.Decorator___lt__(self, o)
6803 def __gt__(self, o):
6804 r"""__gt__(Decorator self, Object o) -> bool"""
6805 return _IMP_kernel.Decorator___gt__(self, o)
6807 def __ge__(self, o):
6808 r"""__ge__(Decorator self, Object o) -> bool"""
6809 return _IMP_kernel.Decorator___ge__(self, o)
6811 def __le__(self, o):
6812 r"""__le__(Decorator self, Object o) -> bool"""
6813 return _IMP_kernel.Decorator___le__(self, o)
6816 r"""get_particle(Decorator self) -> Particle"""
6817 return _IMP_kernel.Decorator_get_particle(self)
6819 def get_particle_index(self):
6820 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6821 return _IMP_kernel.Decorator_get_particle_index(self)
6823 def get_model(self):
6824 m = _IMP_kernel.Decorator_get_model(self)
6825 if m
in _models_set:
6826 m = _models_set_get(m)
6831 def get_is_valid(self):
6832 r"""get_is_valid(Decorator self) -> bool"""
6833 return _IMP_kernel.Decorator_get_is_valid(self)
6836 r"""__hash__(Decorator self) -> std::size_t"""
6837 return _IMP_kernel.Decorator___hash__(self)
6839 def __eq__(self, *args):
6841 __eq__(Decorator self, Object o) -> bool
6842 __eq__(Decorator self, Decorator o) -> bool
6843 __eq__(Decorator self, Particle o) -> bool
6845 return _IMP_kernel.Decorator___eq__(self, *args)
6848 r"""__bool__(Decorator self) -> bool"""
6849 return _IMP_kernel.Decorator___bool__(self)
6850 __swig_destroy__ = _IMP_kernel.delete_Decorator
6853 _IMP_kernel.Decorator_swigregister(Decorator)
6855 def check_particle(m, pi):
6856 r"""check_particle(Model m, ParticleIndex pi)"""
6857 return _IMP_kernel.check_particle(m, pi)
6859 r"""Proxy of C++ IMP::UnaryFunction class."""
6861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6863 def __init__(self, *args):
6864 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6865 if self.__class__ == UnaryFunction:
6869 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6871 if self.__class__ != UnaryFunction:
6872 _director_objects.register(self)
6877 def evaluate(self, feature):
6878 r"""evaluate(UnaryFunction self, double feature) -> double"""
6879 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6881 def evaluate_with_derivative(self, feature):
6882 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6883 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6884 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6887 r"""__str__(UnaryFunction self) -> std::string"""
6888 return _IMP_kernel.UnaryFunction___str__(self)
6891 r"""__repr__(UnaryFunction self) -> std::string"""
6892 return _IMP_kernel.UnaryFunction___repr__(self)
6896 return _object_cast_to_UnaryFunction(o)
6899 def do_show(self, out):
6904 return _object_cast_to_UnaryFunction(o)
6908 """Return a JAX implementation of this UnaryFunction.
6909 Implement this method in a UnaryFunction subclass to provide
6910 an equivalent function using [JAX](https://docs.jax.dev/)
6911 that scores the provided feature value.
6913 raise NotImplementedError(
6914 f
"No JAX implementation for {self} ({type(self)})")
6916 def __disown__(self):
6918 _IMP_kernel.disown_UnaryFunction(self)
6919 return weakref.proxy(self)
6922 r"""do_destroy(UnaryFunction self)"""
6923 return _IMP_kernel.UnaryFunction_do_destroy(self)
6926 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6928 r"""Proxy of C++ IMP::OptimizerState class."""
6930 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6932 def __init__(self, *args):
6934 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6935 __init__(OptimizerState self) -> OptimizerState
6937 if self.__class__ == OptimizerState:
6941 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6943 if self.__class__ != OptimizerState:
6944 _director_objects.register(self)
6950 r"""update(OptimizerState self)"""
6951 return _IMP_kernel.OptimizerState_update(self)
6953 def set_is_optimizing(self, arg0):
6954 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6955 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6957 def get_optimizer(self):
6958 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6959 return _IMP_kernel.OptimizerState_get_optimizer(self)
6961 def set_period(self, p):
6962 r"""set_period(OptimizerState self, unsigned int p)"""
6963 return _IMP_kernel.OptimizerState_set_period(self, p)
6965 def get_period(self):
6966 r"""get_period(OptimizerState self) -> unsigned int"""
6967 return _IMP_kernel.OptimizerState_get_period(self)
6970 r"""reset(OptimizerState self)"""
6971 return _IMP_kernel.OptimizerState_reset(self)
6973 def update_always(self):
6974 r"""update_always(OptimizerState self)"""
6975 return _IMP_kernel.OptimizerState_update_always(self)
6977 def get_number_of_updates(self):
6978 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
6979 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
6981 def set_number_of_updates(self, n):
6982 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
6983 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
6984 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
6986 def do_update(self, arg0):
6987 r"""do_update(OptimizerState self, unsigned int arg0)"""
6988 return _IMP_kernel.OptimizerState_do_update(self, arg0)
6990 def do_set_is_optimizing(self, arg0):
6991 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
6992 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
6994 def do_get_inputs(self):
6995 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6996 return _IMP_kernel.OptimizerState_do_get_inputs(self)
6998 def do_get_outputs(self):
6999 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7000 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7003 r"""__str__(OptimizerState self) -> std::string"""
7004 return _IMP_kernel.OptimizerState___str__(self)
7007 r"""__repr__(OptimizerState self) -> std::string"""
7008 return _IMP_kernel.OptimizerState___repr__(self)
7012 return _object_cast_to_OptimizerState(o)
7015 def do_show(self, out):
7020 return _object_cast_to_OptimizerState(o)
7023 def _get_jax(self, state_index):
7024 """Add JAX support for this OptimizerState.
7026 Each OptimizerState must explicitly support how it is going to
7027 be called when the Optimizer is run via JAX.
7029 OptimizerStates can run as traditional IMP CPU code
7030 on the IMP Model object, in which case None should be returned here.
7031 The Optimizer will sync any necessary information from JAX back
7032 with the IMP Model before calling the OptimizerState. However,
7033 the OptimizerState is not permitted to modify the Model; any
7034 changes will not be propagated back to the Optimizer.
7035 (For example, a thermostat which tries to change particle
7036 velocities will not function correctly.)
7038 Alternatively, a pure JAX implementation can be provided.
7039 See _wrap_jax for more information.
7041 raise NotImplementedError(
7042 f
"No JAX implementation for {self} ({type(self)})")
7044 def _wrap_jax(self, init_func, apply_func):
7045 """Create the return value for _get_jax.
7046 Use this method in _get_jax() to wrap the JAX function
7047 with other OptimizerState-specific information.
7049 @param init_func a JAX function which, given a JAX Optimizer,
7050 does any necessary setup and returns a (possibly modified)
7051 JAX Optimizer. If any OptimizerState-specific
7052 persistent state is needed, it can be stored in
7053 `opt.optimizer_states[state_index]` and later retrieved or
7054 modified in apply_func.
7055 @param apply_func a JAX function which, given a JAX Optimizer,
7056 does the JAX equivalent of do_update() and returns a new
7059 from IMP._jax_util
import JAXOptimizerStateInfo
7060 return JAXOptimizerStateInfo(self, init_func, apply_func)
7062 def __disown__(self):
7064 _IMP_kernel.disown_OptimizerState(self)
7065 return weakref.proxy(self)
7068 r"""do_destroy(OptimizerState self)"""
7069 return _IMP_kernel.OptimizerState_do_destroy(self)
7071 def handle_set_has_required_score_states(self, arg0):
7072 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7073 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7075 def do_get_interactions(self):
7076 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7077 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7080 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7082 r"""Proxy of C++ IMP::Refiner class."""
7084 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7086 def __init__(self, *args):
7087 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7088 if self.__class__ == Refiner:
7092 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7094 if self.__class__ != Refiner:
7095 _director_objects.register(self)
7100 def get_can_refine(self, arg0):
7101 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7102 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7104 def get_refined_indexes(self, m, pi):
7105 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7106 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7108 def get_refined_indexes_by_ref(self, m, pi):
7109 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7110 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7112 def get_is_by_ref_supported(self):
7113 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7114 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7116 def get_refined(self, *args):
7118 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7119 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7121 return _IMP_kernel.Refiner_get_refined(self, *args)
7123 def get_number_of_refined(self, a):
7124 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7125 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7128 r"""__str__(Refiner self) -> std::string"""
7129 return _IMP_kernel.Refiner___str__(self)
7132 r"""__repr__(Refiner self) -> std::string"""
7133 return _IMP_kernel.Refiner___repr__(self)
7137 return _object_cast_to_Refiner(o)
7140 def do_show(self, out):
7145 return _object_cast_to_Refiner(o)
7147 __swig_destroy__ = _IMP_kernel.delete_Refiner
7148 def __disown__(self):
7150 _IMP_kernel.disown_Refiner(self)
7151 return weakref.proxy(self)
7153 def do_get_inputs(self, m, pis):
7154 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7155 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7158 r"""do_destroy(Refiner self)"""
7159 return _IMP_kernel.Refiner_do_destroy(self)
7162 _IMP_kernel.Refiner_swigregister(Refiner)
7164 r"""Proxy of C++ IMP::Optimizer class."""
7166 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7168 def set_is_optimizing_states(self, tf):
7169 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7170 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7172 def get_optimizer_state_inputs(self):
7173 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7174 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7176 def do_get_inputs(self):
7177 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7178 return _IMP_kernel.Optimizer_do_get_inputs(self)
7180 def do_get_outputs(self):
7181 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7182 return _IMP_kernel.Optimizer_do_get_outputs(self)
7184 def __init__(self, *args):
7186 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7187 __init__(Optimizer self) -> Optimizer
7189 if self.__class__ == Optimizer:
7193 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7195 if self.__class__ != Optimizer:
7196 _director_objects.register(self)
7201 def optimize(self, max_steps):
7202 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7203 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7205 def set_stop_on_good_score(self, tf):
7206 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7207 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7209 def get_stop_on_good_score(self):
7210 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7211 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7213 def get_last_score(self):
7214 r"""get_last_score(Optimizer self) -> double"""
7215 return _IMP_kernel.Optimizer_get_last_score(self)
7217 def get_scoring_function(self):
7218 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7219 return _IMP_kernel.Optimizer_get_scoring_function(self)
7220 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)
7221 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7222 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7223 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7225 def remove_optimizer_state(self, d):
7226 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7227 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7229 def _python_index_optimizer_state(self, d, start, stop):
7230 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7231 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7233 def remove_optimizer_states(self, d):
7234 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7235 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7237 def set_optimizer_states(self, ps):
7238 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7239 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7241 def set_optimizer_states_order(self, objs):
7242 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7243 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7245 def add_optimizer_state(self, obj):
7246 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7247 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7249 def add_optimizer_states(self, objs):
7250 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7251 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7253 def clear_optimizer_states(self):
7254 r"""clear_optimizer_states(Optimizer self)"""
7255 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7257 def get_number_of_optimizer_states(self):
7258 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7259 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7261 def get_has_optimizer_states(self):
7262 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7263 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7265 def get_optimizer_state(self, i):
7266 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7267 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7269 def get_optimizer_states(self):
7270 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7271 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7273 def erase_optimizer_state(self, i):
7274 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7275 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7277 def reserve_optimizer_states(self, sz):
7278 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7279 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7281 def set_scoring_function(self, sf):
7282 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7283 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7284 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7286 r"""__del__(Optimizer self)"""
7288 _director_objects.cleanup()
7294 def do_optimize(self, ns):
7295 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7296 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7298 def update_states(self):
7299 r"""update_states(Optimizer self)"""
7300 return _IMP_kernel.Optimizer_update_states(self)
7303 r"""__str__(Optimizer self) -> std::string"""
7304 return _IMP_kernel.Optimizer___str__(self)
7307 r"""__repr__(Optimizer self) -> std::string"""
7308 return _IMP_kernel.Optimizer___repr__(self)
7312 return _object_cast_to_Optimizer(o)
7315 def do_show(self, out):
7320 return _object_cast_to_Optimizer(o)
7322 def __disown__(self):
7324 _IMP_kernel.disown_Optimizer(self)
7325 return weakref.proxy(self)
7328 r"""do_destroy(Optimizer self)"""
7329 return _IMP_kernel.Optimizer_do_destroy(self)
7331 def handle_set_has_required_score_states(self, arg0):
7332 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7333 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7335 def do_get_interactions(self):
7336 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7337 return _IMP_kernel.Optimizer_do_get_interactions(self)
7340 _IMP_kernel.Optimizer_swigregister(Optimizer)
7342 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7344 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7346 def __init__(self, *args):
7348 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7349 __init__(AttributeOptimizer self) -> AttributeOptimizer
7351 if self.__class__ == AttributeOptimizer:
7355 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7357 if self.__class__ != AttributeOptimizer:
7358 _director_objects.register(self)
7363 def get_optimized_attributes(self):
7364 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7365 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7367 def set_value(self, fi, v):
7368 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7369 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7371 def get_value(self, fi):
7372 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7373 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7375 def get_derivative(self, fi):
7376 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7377 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7379 def get_width(self, k):
7380 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7381 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7383 def set_scaled_value(self, fi, v):
7384 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7385 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7387 def get_scaled_value(self, fi):
7388 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7389 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7391 def get_scaled_derivative(self, fi):
7392 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7393 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7395 def clear_range_cache(self):
7396 r"""clear_range_cache(AttributeOptimizer self)"""
7397 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7400 r"""__str__(AttributeOptimizer self) -> std::string"""
7401 return _IMP_kernel.AttributeOptimizer___str__(self)
7404 r"""__repr__(AttributeOptimizer self) -> std::string"""
7405 return _IMP_kernel.AttributeOptimizer___repr__(self)
7409 return _object_cast_to_AttributeOptimizer(o)
7412 def do_show(self, out):
7417 return _object_cast_to_AttributeOptimizer(o)
7419 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7420 def __disown__(self):
7422 _IMP_kernel.disown_AttributeOptimizer(self)
7423 return weakref.proxy(self)
7426 r"""do_destroy(AttributeOptimizer self)"""
7427 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7429 def handle_set_has_required_score_states(self, arg0):
7430 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7431 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7433 def do_get_inputs(self):
7434 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7435 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7437 def do_get_outputs(self):
7438 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7439 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7441 def do_get_interactions(self):
7442 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7443 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7445 def do_optimize(self, ns):
7446 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7447 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7450 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7452 r"""Proxy of C++ IMP::ConfigurationSet class."""
7454 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7456 def __init__(self, *args):
7457 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7458 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7460 def save_configuration(self):
7461 r"""save_configuration(ConfigurationSet self)"""
7462 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7464 def get_number_of_configurations(self):
7465 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7466 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7468 def load_configuration(self, i):
7469 r"""load_configuration(ConfigurationSet self, int i)"""
7470 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7472 def remove_configuration(self, i):
7473 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7474 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7476 def get_model(self):
7477 r"""get_model(ConfigurationSet self) -> Model"""
7478 return _IMP_kernel.ConfigurationSet_get_model(self)
7481 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7482 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7483 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7486 r"""__str__(ConfigurationSet self) -> std::string"""
7487 return _IMP_kernel.ConfigurationSet___str__(self)
7490 r"""__repr__(ConfigurationSet self) -> std::string"""
7491 return _IMP_kernel.ConfigurationSet___repr__(self)
7495 return _object_cast_to_ConfigurationSet(o)
7499 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7501 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7503 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7505 def __init__(self, cs):
7506 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7507 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7510 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7511 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7512 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7515 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7516 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7519 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7520 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7524 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7528 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7530 r"""Proxy of C++ IMP::Configuration class."""
7532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7534 def __init__(self, *args):
7536 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7537 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7538 __init__(Configuration self) -> Configuration
7540 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7542 def load_configuration(self):
7543 r"""load_configuration(Configuration self)"""
7544 return _IMP_kernel.Configuration_load_configuration(self)
7546 def swap_configuration(self):
7547 r"""swap_configuration(Configuration self)"""
7548 return _IMP_kernel.Configuration_swap_configuration(self)
7551 r"""get_version_info(Configuration self) -> VersionInfo"""
7552 return _IMP_kernel.Configuration_get_version_info(self)
7553 __swig_destroy__ = _IMP_kernel.delete_Configuration
7556 r"""__str__(Configuration self) -> std::string"""
7557 return _IMP_kernel.Configuration___str__(self)
7560 r"""__repr__(Configuration self) -> std::string"""
7561 return _IMP_kernel.Configuration___repr__(self)
7565 return _object_cast_to_Configuration(o)
7568 def _get_as_binary(self):
7569 r"""_get_as_binary(Configuration self) -> PyObject *"""
7570 return _IMP_kernel.Configuration__get_as_binary(self)
7572 def _set_from_binary(self, p):
7573 r"""_set_from_binary(Configuration self, PyObject * p)"""
7574 return _IMP_kernel.Configuration__set_from_binary(self, p)
7576 def __getstate__(self):
7577 p = self._get_as_binary()
7578 if len(self.__dict__) > 1:
7579 d = self.__dict__.copy()
7584 def __setstate__(self, p):
7585 if not hasattr(self,
'this'):
7587 if isinstance(p, tuple):
7589 self.__dict__.update(d)
7590 return self._set_from_binary(p)
7594 _IMP_kernel.Configuration_swigregister(Configuration)
7596 r"""Proxy of C++ IMP::Sampler class."""
7598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7600 def __init__(self, *args):
7601 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7602 if self.__class__ == Sampler:
7606 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7608 if self.__class__ != Sampler:
7609 _director_objects.register(self)
7614 def create_sample(self):
7615 r"""create_sample(Sampler self) -> ConfigurationSet"""
7616 return _IMP_kernel.Sampler_create_sample(self)
7618 def get_scoring_function(self):
7619 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7620 return _IMP_kernel.Sampler_get_scoring_function(self)
7622 def set_scoring_function(self, sf):
7623 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7624 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7626 def get_model(self):
7627 r"""get_model(Sampler self) -> Model"""
7628 return _IMP_kernel.Sampler_get_model(self)
7630 def do_sample(self):
7631 r"""do_sample(Sampler self) -> ConfigurationSet"""
7632 return _IMP_kernel.Sampler_do_sample(self)
7633 __swig_destroy__ = _IMP_kernel.delete_Sampler
7636 r"""__str__(Sampler self) -> std::string"""
7637 return _IMP_kernel.Sampler___str__(self)
7640 r"""__repr__(Sampler self) -> std::string"""
7641 return _IMP_kernel.Sampler___repr__(self)
7645 return _object_cast_to_Sampler(o)
7648 def do_show(self, out):
7653 return _object_cast_to_Sampler(o)
7655 def __disown__(self):
7657 _IMP_kernel.disown_Sampler(self)
7658 return weakref.proxy(self)
7661 r"""do_destroy(Sampler self)"""
7662 return _IMP_kernel.Sampler_do_destroy(self)
7665 _IMP_kernel.Sampler_swigregister(Sampler)
7667 r"""Proxy of C++ IMP::PairModifier class."""
7669 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7671 def __init__(self, *args):
7672 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7673 if self.__class__ == PairModifier:
7677 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7679 if self.__class__ != PairModifier:
7680 _director_objects.register(self)
7685 def apply_index(self, m, v):
7686 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7687 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7689 def apply_indexes(self, m, o, lower_bound, upper_bound):
7690 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7691 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7693 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7694 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)"""
7695 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7698 r"""__str__(PairModifier self) -> std::string"""
7699 return _IMP_kernel.PairModifier___str__(self)
7702 r"""__repr__(PairModifier self) -> std::string"""
7703 return _IMP_kernel.PairModifier___repr__(self)
7707 return _object_cast_to_PairModifier(o)
7710 def do_show(self, out):
7715 return _object_cast_to_PairModifier(o)
7717 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7718 def __disown__(self):
7720 _IMP_kernel.disown_PairModifier(self)
7721 return weakref.proxy(self)
7723 def do_get_inputs(self, m, pis):
7724 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7725 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7727 def do_get_outputs(self, m, pis):
7728 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7729 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7732 r"""do_destroy(PairModifier self)"""
7733 return _IMP_kernel.PairModifier_do_destroy(self)
7736 _IMP_kernel.PairModifier_swigregister(PairModifier)
7738 r"""Proxy of C++ IMP::PairScore class."""
7740 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7742 def __init__(self, *args):
7743 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7744 if self.__class__ == PairScore:
7748 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7750 if self.__class__ != PairScore:
7751 _director_objects.register(self)
7756 def evaluate_index(self, m, vt, da):
7757 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7758 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7760 def check_indexes(self, m, pis):
7761 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7762 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7764 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7765 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"""
7766 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7768 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7769 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"""
7770 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7772 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7773 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"""
7774 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7776 def evaluate_if_good_index(self, m, vt, da, max):
7777 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7778 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7780 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7781 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"""
7782 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7784 def create_current_decomposition(self, m, vt):
7785 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7786 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7788 def do_create_current_decomposition(self, m, vt):
7789 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7790 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7791 __swig_destroy__ = _IMP_kernel.delete_PairScore
7794 r"""__str__(PairScore self) -> std::string"""
7795 return _IMP_kernel.PairScore___str__(self)
7798 r"""__repr__(PairScore self) -> std::string"""
7799 return _IMP_kernel.PairScore___repr__(self)
7803 return _object_cast_to_PairScore(o)
7806 def do_show(self, out):
7811 return _object_cast_to_PairScore(o)
7814 def _wrap_jax(self, m, score_func, keys=None):
7815 """Create the return value for _get_jax.
7816 Use this method in _get_jax() to wrap the JAX scoring function
7817 with other score-specific information.
7819 @param m The IMP.Model that the score will act on.
7820 @param score_func A function implemented using JAX that takes
7821 one argument (the current JAX Model) and returns the total
7823 @param keys Model attributes used by the PairScore.
7824 See IMP::Restraint::_wrap_jax.
7826 from IMP._jax_util
import JAXScoreInfo
7827 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7829 def _get_jax(self, m, indexes):
7830 """Return a JAX implementation of this PairScore.
7831 Implement this method in a PairScore subclass to provide
7832 an equivalent function using [JAX](https://docs.jax.dev/)
7833 that scores the current JAX Model with a given set of
7834 ParticlePairIndexes. See also _wrap_jax.
7836 @param m The IMP.Model that the score will act on.
7837 @param indexes The ParticlePairIndexes that the score will act on.
7839 raise NotImplementedError(
7840 f
"No JAX implementation for {self} ({type(self)})")
7842 def __disown__(self):
7844 _IMP_kernel.disown_PairScore(self)
7845 return weakref.proxy(self)
7847 def do_get_inputs(self, m, pis):
7848 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7849 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7852 r"""do_destroy(PairScore self)"""
7853 return _IMP_kernel.PairScore_do_destroy(self)
7856 _IMP_kernel.PairScore_swigregister(PairScore)
7858 r"""Proxy of C++ IMP::PairPredicate class."""
7860 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7862 def __init__(self, *args):
7863 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7864 if self.__class__ == PairPredicate:
7868 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7870 if self.__class__ != PairPredicate:
7871 _director_objects.register(self)
7876 def setup_for_get_value_index_in_batch(self, arg0):
7877 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7878 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7880 def get_value_index_in_batch(self, m, vt):
7881 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7882 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7884 def __call__(self, m, vt):
7885 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7886 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7888 def get_value_index(self, *args):
7890 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7891 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7893 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7894 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7897 r"""__str__(PairPredicate self) -> std::string"""
7898 return _IMP_kernel.PairPredicate___str__(self)
7901 r"""__repr__(PairPredicate self) -> std::string"""
7902 return _IMP_kernel.PairPredicate___repr__(self)
7906 return _object_cast_to_PairPredicate(o)
7909 def do_show(self, out):
7914 return _object_cast_to_PairPredicate(o)
7916 def __disown__(self):
7918 _IMP_kernel.disown_PairPredicate(self)
7919 return weakref.proxy(self)
7921 def do_get_inputs(self, m, pis):
7922 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7923 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7926 r"""do_destroy(PairPredicate self)"""
7927 return _IMP_kernel.PairPredicate_do_destroy(self)
7930 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7932 r"""Proxy of C++ IMP::PairContainer class."""
7934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7936 def apply_generic(self, m):
7937 r"""apply_generic(PairContainer self, PairModifier m)"""
7938 return _IMP_kernel.PairContainer_apply_generic(self, m)
7940 def apply_generic_moved(self, m, moved_pis, reset_pis):
7941 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7942 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7944 def apply(self, sm):
7945 r"""apply(PairContainer self, PairModifier sm)"""
7946 return _IMP_kernel.PairContainer_apply(self, sm)
7948 def apply_moved(self, sm, moved_pis, reset_pis):
7949 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7950 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7952 def get_range_indexes(self):
7953 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7954 return _IMP_kernel.PairContainer_get_range_indexes(self)
7956 def get_contents(self):
7957 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7958 return _IMP_kernel.PairContainer_get_contents(self)
7961 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7962 return _IMP_kernel.PairContainer_get_indexes(self)
7964 def get(self, *args):
7966 get(PairContainer self) -> IMP::ParticlePairsTemp
7967 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
7969 return _IMP_kernel.PairContainer_get(self, *args)
7971 def get_number(self):
7972 r"""get_number(PairContainer self) -> unsigned int"""
7973 return _IMP_kernel.PairContainer_get_number(self)
7975 def __init__(self, *args):
7977 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
7978 __init__(PairContainer self) -> PairContainer
7980 if self.__class__ == PairContainer:
7984 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
7986 if self.__class__ != PairContainer:
7987 _director_objects.register(self)
7992 def do_apply(self, sm):
7993 r"""do_apply(PairContainer self, PairModifier sm)"""
7994 return _IMP_kernel.PairContainer_do_apply(self, sm)
7996 def do_apply_moved(self, sm, moved_pis, reset_pis):
7997 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7998 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8000 def do_get_provides_access(self):
8001 r"""do_get_provides_access(PairContainer self) -> bool"""
8002 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8003 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8006 r"""__str__(PairContainer self) -> std::string"""
8007 return _IMP_kernel.PairContainer___str__(self)
8010 r"""__repr__(PairContainer self) -> std::string"""
8011 return _IMP_kernel.PairContainer___repr__(self)
8015 return _object_cast_to_PairContainer(o)
8018 def do_show(self, out):
8023 return _object_cast_to_PairContainer(o)
8025 def __disown__(self):
8027 _IMP_kernel.disown_PairContainer(self)
8028 return weakref.proxy(self)
8031 r"""do_destroy(PairContainer self)"""
8032 return _IMP_kernel.PairContainer_do_destroy(self)
8034 def handle_set_has_required_score_states(self, arg0):
8035 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8036 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8038 def do_get_inputs(self):
8039 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8040 return _IMP_kernel.PairContainer_do_get_inputs(self)
8042 def do_get_interactions(self):
8043 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8044 return _IMP_kernel.PairContainer_do_get_interactions(self)
8046 def do_get_contents_hash(self):
8047 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8048 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8051 _IMP_kernel.PairContainer_swigregister(PairContainer)
8052 class _PairContainerAdaptor(_InputAdaptor):
8053 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8056 __repr__ = _swig_repr
8058 def __init__(self, *args):
8060 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8061 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8062 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8064 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8066 def set_name_if_default(self, name):
8067 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8068 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8069 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8072 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8074 r"""Proxy of C++ IMP::QuadModifier class."""
8076 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8078 def __init__(self, *args):
8079 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8080 if self.__class__ == QuadModifier:
8084 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8086 if self.__class__ != QuadModifier:
8087 _director_objects.register(self)
8092 def apply_index(self, m, v):
8093 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8094 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8096 def apply_indexes(self, m, o, lower_bound, upper_bound):
8097 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8098 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8100 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8101 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)"""
8102 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8105 r"""__str__(QuadModifier self) -> std::string"""
8106 return _IMP_kernel.QuadModifier___str__(self)
8109 r"""__repr__(QuadModifier self) -> std::string"""
8110 return _IMP_kernel.QuadModifier___repr__(self)
8114 return _object_cast_to_QuadModifier(o)
8117 def do_show(self, out):
8122 return _object_cast_to_QuadModifier(o)
8124 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8125 def __disown__(self):
8127 _IMP_kernel.disown_QuadModifier(self)
8128 return weakref.proxy(self)
8130 def do_get_inputs(self, m, pis):
8131 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8132 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8134 def do_get_outputs(self, m, pis):
8135 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8136 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8139 r"""do_destroy(QuadModifier self)"""
8140 return _IMP_kernel.QuadModifier_do_destroy(self)
8143 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8145 r"""Proxy of C++ IMP::QuadScore class."""
8147 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8149 def __init__(self, *args):
8150 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8151 if self.__class__ == QuadScore:
8155 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8157 if self.__class__ != QuadScore:
8158 _director_objects.register(self)
8163 def evaluate_index(self, m, vt, da):
8164 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8165 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8167 def check_indexes(self, m, pis):
8168 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8169 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8171 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8172 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"""
8173 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8175 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8176 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"""
8177 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8179 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8180 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"""
8181 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8183 def evaluate_if_good_index(self, m, vt, da, max):
8184 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8185 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8187 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8188 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"""
8189 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8191 def create_current_decomposition(self, m, vt):
8192 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8193 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8195 def do_create_current_decomposition(self, m, vt):
8196 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8197 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8198 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8201 r"""__str__(QuadScore self) -> std::string"""
8202 return _IMP_kernel.QuadScore___str__(self)
8205 r"""__repr__(QuadScore self) -> std::string"""
8206 return _IMP_kernel.QuadScore___repr__(self)
8210 return _object_cast_to_QuadScore(o)
8213 def do_show(self, out):
8218 return _object_cast_to_QuadScore(o)
8220 def __disown__(self):
8222 _IMP_kernel.disown_QuadScore(self)
8223 return weakref.proxy(self)
8225 def do_get_inputs(self, m, pis):
8226 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8227 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8230 r"""do_destroy(QuadScore self)"""
8231 return _IMP_kernel.QuadScore_do_destroy(self)
8234 _IMP_kernel.QuadScore_swigregister(QuadScore)
8236 r"""Proxy of C++ IMP::QuadPredicate class."""
8238 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8240 def __init__(self, *args):
8241 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8242 if self.__class__ == QuadPredicate:
8246 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8248 if self.__class__ != QuadPredicate:
8249 _director_objects.register(self)
8254 def setup_for_get_value_index_in_batch(self, arg0):
8255 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8256 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8258 def get_value_index_in_batch(self, m, vt):
8259 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8260 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8262 def __call__(self, m, vt):
8263 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8264 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8266 def get_value_index(self, *args):
8268 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8269 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8271 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8272 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8275 r"""__str__(QuadPredicate self) -> std::string"""
8276 return _IMP_kernel.QuadPredicate___str__(self)
8279 r"""__repr__(QuadPredicate self) -> std::string"""
8280 return _IMP_kernel.QuadPredicate___repr__(self)
8284 return _object_cast_to_QuadPredicate(o)
8287 def do_show(self, out):
8292 return _object_cast_to_QuadPredicate(o)
8294 def __disown__(self):
8296 _IMP_kernel.disown_QuadPredicate(self)
8297 return weakref.proxy(self)
8299 def do_get_inputs(self, m, pis):
8300 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8301 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8304 r"""do_destroy(QuadPredicate self)"""
8305 return _IMP_kernel.QuadPredicate_do_destroy(self)
8308 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8310 r"""Proxy of C++ IMP::QuadContainer class."""
8312 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8314 def apply_generic(self, m):
8315 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8316 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8318 def apply_generic_moved(self, m, moved_pis, reset_pis):
8319 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8320 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8322 def apply(self, sm):
8323 r"""apply(QuadContainer self, QuadModifier sm)"""
8324 return _IMP_kernel.QuadContainer_apply(self, sm)
8326 def apply_moved(self, sm, moved_pis, reset_pis):
8327 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8328 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8330 def get_range_indexes(self):
8331 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8332 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8334 def get_contents(self):
8335 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8336 return _IMP_kernel.QuadContainer_get_contents(self)
8339 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8340 return _IMP_kernel.QuadContainer_get_indexes(self)
8342 def get(self, *args):
8344 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8345 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8347 return _IMP_kernel.QuadContainer_get(self, *args)
8349 def get_number(self):
8350 r"""get_number(QuadContainer self) -> unsigned int"""
8351 return _IMP_kernel.QuadContainer_get_number(self)
8353 def __init__(self, *args):
8355 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8356 __init__(QuadContainer self) -> QuadContainer
8358 if self.__class__ == QuadContainer:
8362 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8364 if self.__class__ != QuadContainer:
8365 _director_objects.register(self)
8370 def do_apply(self, sm):
8371 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8372 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8374 def do_apply_moved(self, sm, moved_pis, reset_pis):
8375 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8376 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8378 def do_get_provides_access(self):
8379 r"""do_get_provides_access(QuadContainer self) -> bool"""
8380 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8381 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8384 r"""__str__(QuadContainer self) -> std::string"""
8385 return _IMP_kernel.QuadContainer___str__(self)
8388 r"""__repr__(QuadContainer self) -> std::string"""
8389 return _IMP_kernel.QuadContainer___repr__(self)
8393 return _object_cast_to_QuadContainer(o)
8396 def do_show(self, out):
8401 return _object_cast_to_QuadContainer(o)
8403 def __disown__(self):
8405 _IMP_kernel.disown_QuadContainer(self)
8406 return weakref.proxy(self)
8409 r"""do_destroy(QuadContainer self)"""
8410 return _IMP_kernel.QuadContainer_do_destroy(self)
8412 def handle_set_has_required_score_states(self, arg0):
8413 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8414 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8416 def do_get_inputs(self):
8417 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8418 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8420 def do_get_interactions(self):
8421 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8422 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8424 def do_get_contents_hash(self):
8425 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8426 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8429 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8430 class _QuadContainerAdaptor(_InputAdaptor):
8431 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8433 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8434 __repr__ = _swig_repr
8436 def __init__(self, *args):
8438 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8439 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8440 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8442 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8444 def set_name_if_default(self, name):
8445 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8446 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8447 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8450 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8452 r"""Proxy of C++ IMP::SingletonModifier class."""
8454 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8456 def __init__(self, *args):
8457 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8458 if self.__class__ == SingletonModifier:
8462 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8464 if self.__class__ != SingletonModifier:
8465 _director_objects.register(self)
8470 def apply_index(self, m, v):
8471 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8472 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8474 def apply_indexes(self, m, o, lower_bound, upper_bound):
8475 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8476 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8478 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8479 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)"""
8480 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8483 r"""__str__(SingletonModifier self) -> std::string"""
8484 return _IMP_kernel.SingletonModifier___str__(self)
8487 r"""__repr__(SingletonModifier self) -> std::string"""
8488 return _IMP_kernel.SingletonModifier___repr__(self)
8492 return _object_cast_to_SingletonModifier(o)
8495 def do_show(self, out):
8500 return _object_cast_to_SingletonModifier(o)
8503 def _wrap_jax(self, apply_func, keys=None):
8504 """Create the return value for _get_jax.
8505 Use this method in _get_jax() to wrap the JAX function
8506 with other modifier-specific information.
8508 @param apply_func A function implemented using JAX that takes
8509 one argument (the current JAX Model) and returns a new
8511 @param keys Model attributes used by the SingletonModifier.
8512 See IMP::Restraint::_wrap_jax.
8514 from IMP._jax_util
import JAXModifierInfo
8515 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8517 def _get_jax(self, m, indexes):
8518 """Return a JAX implementation of this SingletonModifier.
8519 Implement this method in a SingletonModifier subclass to provide
8520 an equivalent function using [JAX](https://docs.jax.dev/)
8521 that modifies the current JAX Model. See also _wrap_jax.
8523 @param m The IMP.Model that the modifier will act on.
8524 @param indexes The ParticleIndexes that the modifier will act on.
8526 raise NotImplementedError(
8527 f
"No JAX implementation for {self} ({type(self)})")
8529 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8530 def __disown__(self):
8532 _IMP_kernel.disown_SingletonModifier(self)
8533 return weakref.proxy(self)
8535 def do_get_inputs(self, m, pis):
8536 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8537 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8539 def do_get_outputs(self, m, pis):
8540 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8541 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8544 r"""do_destroy(SingletonModifier self)"""
8545 return _IMP_kernel.SingletonModifier_do_destroy(self)
8548 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8550 r"""Proxy of C++ IMP::SingletonScore class."""
8552 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8554 def __init__(self, *args):
8555 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8556 if self.__class__ == SingletonScore:
8560 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8562 if self.__class__ != SingletonScore:
8563 _director_objects.register(self)
8568 def evaluate_index(self, m, vt, da):
8569 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8570 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8572 def check_indexes(self, m, pis):
8573 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8574 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8576 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8577 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"""
8578 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8580 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8581 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"""
8582 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8584 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8585 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"""
8586 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8588 def evaluate_if_good_index(self, m, vt, da, max):
8589 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8590 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8592 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8593 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"""
8594 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8596 def create_current_decomposition(self, m, vt):
8597 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8598 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8600 def do_create_current_decomposition(self, m, vt):
8601 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8602 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8603 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8606 r"""__str__(SingletonScore self) -> std::string"""
8607 return _IMP_kernel.SingletonScore___str__(self)
8610 r"""__repr__(SingletonScore self) -> std::string"""
8611 return _IMP_kernel.SingletonScore___repr__(self)
8615 return _object_cast_to_SingletonScore(o)
8618 def do_show(self, out):
8623 return _object_cast_to_SingletonScore(o)
8626 def _wrap_jax(self, m, score_func, keys=None):
8627 """See IMP::PairScore::_wrap_jax"""
8628 from IMP._jax_util
import JAXScoreInfo
8629 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8631 def _get_jax(self, m, indexes):
8632 """See IMP::PairScore::_get_jax"""
8633 raise NotImplementedError(
8634 f
"No JAX implementation for {self} ({type(self)})")
8636 def __disown__(self):
8638 _IMP_kernel.disown_SingletonScore(self)
8639 return weakref.proxy(self)
8641 def do_get_inputs(self, m, pis):
8642 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8643 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8646 r"""do_destroy(SingletonScore self)"""
8647 return _IMP_kernel.SingletonScore_do_destroy(self)
8650 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8652 r"""Proxy of C++ IMP::SingletonPredicate class."""
8654 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8656 def __init__(self, *args):
8657 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8658 if self.__class__ == SingletonPredicate:
8662 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8664 if self.__class__ != SingletonPredicate:
8665 _director_objects.register(self)
8670 def setup_for_get_value_index_in_batch(self, arg0):
8671 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8672 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8674 def get_value_index_in_batch(self, m, vt):
8675 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8676 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8678 def __call__(self, m, vt):
8679 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8680 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8682 def get_value_index(self, *args):
8684 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8685 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8687 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8688 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8691 r"""__str__(SingletonPredicate self) -> std::string"""
8692 return _IMP_kernel.SingletonPredicate___str__(self)
8695 r"""__repr__(SingletonPredicate self) -> std::string"""
8696 return _IMP_kernel.SingletonPredicate___repr__(self)
8700 return _object_cast_to_SingletonPredicate(o)
8703 def do_show(self, out):
8708 return _object_cast_to_SingletonPredicate(o)
8710 def __disown__(self):
8712 _IMP_kernel.disown_SingletonPredicate(self)
8713 return weakref.proxy(self)
8715 def do_get_inputs(self, m, pis):
8716 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8717 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8720 r"""do_destroy(SingletonPredicate self)"""
8721 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8724 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8726 r"""Proxy of C++ IMP::SingletonContainer class."""
8728 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8730 def apply_generic(self, m):
8731 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8732 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8734 def apply_generic_moved(self, m, moved_pis, reset_pis):
8735 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8736 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8738 def apply(self, sm):
8739 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8740 return _IMP_kernel.SingletonContainer_apply(self, sm)
8742 def apply_moved(self, sm, moved_pis, reset_pis):
8743 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8744 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8746 def get_range_indexes(self):
8747 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8748 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8750 def get_contents(self):
8751 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8752 return _IMP_kernel.SingletonContainer_get_contents(self)
8755 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8756 return _IMP_kernel.SingletonContainer_get_indexes(self)
8758 def get(self, *args):
8760 get(SingletonContainer self) -> IMP::ParticlesTemp
8761 get(SingletonContainer self, unsigned int i) -> Particle
8763 return _IMP_kernel.SingletonContainer_get(self, *args)
8765 def get_number(self):
8766 r"""get_number(SingletonContainer self) -> unsigned int"""
8767 return _IMP_kernel.SingletonContainer_get_number(self)
8769 def __init__(self, *args):
8771 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8772 __init__(SingletonContainer self) -> SingletonContainer
8774 if self.__class__ == SingletonContainer:
8778 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8780 if self.__class__ != SingletonContainer:
8781 _director_objects.register(self)
8786 def do_apply(self, sm):
8787 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8788 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8790 def do_apply_moved(self, sm, moved_pis, reset_pis):
8791 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8792 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8794 def do_get_provides_access(self):
8795 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8796 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8797 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8800 r"""__str__(SingletonContainer self) -> std::string"""
8801 return _IMP_kernel.SingletonContainer___str__(self)
8804 r"""__repr__(SingletonContainer self) -> std::string"""
8805 return _IMP_kernel.SingletonContainer___repr__(self)
8809 return _object_cast_to_SingletonContainer(o)
8812 def do_show(self, out):
8817 return _object_cast_to_SingletonContainer(o)
8819 def __disown__(self):
8821 _IMP_kernel.disown_SingletonContainer(self)
8822 return weakref.proxy(self)
8825 r"""do_destroy(SingletonContainer self)"""
8826 return _IMP_kernel.SingletonContainer_do_destroy(self)
8828 def handle_set_has_required_score_states(self, arg0):
8829 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8830 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8832 def do_get_inputs(self):
8833 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8834 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8836 def do_get_interactions(self):
8837 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8838 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8840 def do_get_contents_hash(self):
8841 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8842 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8845 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8846 class _SingletonContainerAdaptor(_InputAdaptor):
8847 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8849 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8850 __repr__ = _swig_repr
8852 def __init__(self, *args):
8854 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8855 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8856 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8858 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8860 def set_name_if_default(self, name):
8861 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8862 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8863 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8866 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8868 r"""Proxy of C++ IMP::TripletModifier class."""
8870 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8872 def __init__(self, *args):
8873 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8874 if self.__class__ == TripletModifier:
8878 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8880 if self.__class__ != TripletModifier:
8881 _director_objects.register(self)
8886 def apply_index(self, m, v):
8887 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8888 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8890 def apply_indexes(self, m, o, lower_bound, upper_bound):
8891 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8892 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8894 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8895 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)"""
8896 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8899 r"""__str__(TripletModifier self) -> std::string"""
8900 return _IMP_kernel.TripletModifier___str__(self)
8903 r"""__repr__(TripletModifier self) -> std::string"""
8904 return _IMP_kernel.TripletModifier___repr__(self)
8908 return _object_cast_to_TripletModifier(o)
8911 def do_show(self, out):
8916 return _object_cast_to_TripletModifier(o)
8918 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8919 def __disown__(self):
8921 _IMP_kernel.disown_TripletModifier(self)
8922 return weakref.proxy(self)
8924 def do_get_inputs(self, m, pis):
8925 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8926 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8928 def do_get_outputs(self, m, pis):
8929 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8930 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8933 r"""do_destroy(TripletModifier self)"""
8934 return _IMP_kernel.TripletModifier_do_destroy(self)
8937 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8939 r"""Proxy of C++ IMP::TripletScore class."""
8941 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8943 def __init__(self, *args):
8944 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8945 if self.__class__ == TripletScore:
8949 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8951 if self.__class__ != TripletScore:
8952 _director_objects.register(self)
8957 def evaluate_index(self, m, vt, da):
8958 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8959 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8961 def check_indexes(self, m, pis):
8962 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8963 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
8965 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8966 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"""
8967 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8969 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8970 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"""
8971 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8973 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8974 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"""
8975 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8977 def evaluate_if_good_index(self, m, vt, da, max):
8978 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
8979 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
8981 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8982 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"""
8983 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8985 def create_current_decomposition(self, m, vt):
8986 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8987 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
8989 def do_create_current_decomposition(self, m, vt):
8990 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8991 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
8992 __swig_destroy__ = _IMP_kernel.delete_TripletScore
8995 r"""__str__(TripletScore self) -> std::string"""
8996 return _IMP_kernel.TripletScore___str__(self)
8999 r"""__repr__(TripletScore self) -> std::string"""
9000 return _IMP_kernel.TripletScore___repr__(self)
9004 return _object_cast_to_TripletScore(o)
9007 def do_show(self, out):
9012 return _object_cast_to_TripletScore(o)
9014 def __disown__(self):
9016 _IMP_kernel.disown_TripletScore(self)
9017 return weakref.proxy(self)
9019 def do_get_inputs(self, m, pis):
9020 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9021 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9024 r"""do_destroy(TripletScore self)"""
9025 return _IMP_kernel.TripletScore_do_destroy(self)
9028 _IMP_kernel.TripletScore_swigregister(TripletScore)
9030 r"""Proxy of C++ IMP::TripletPredicate class."""
9032 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9034 def __init__(self, *args):
9035 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9036 if self.__class__ == TripletPredicate:
9040 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9042 if self.__class__ != TripletPredicate:
9043 _director_objects.register(self)
9048 def setup_for_get_value_index_in_batch(self, arg0):
9049 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9050 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9052 def get_value_index_in_batch(self, m, vt):
9053 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9054 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9056 def __call__(self, m, vt):
9057 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9058 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9060 def get_value_index(self, *args):
9062 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9063 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9065 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9066 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9069 r"""__str__(TripletPredicate self) -> std::string"""
9070 return _IMP_kernel.TripletPredicate___str__(self)
9073 r"""__repr__(TripletPredicate self) -> std::string"""
9074 return _IMP_kernel.TripletPredicate___repr__(self)
9078 return _object_cast_to_TripletPredicate(o)
9081 def do_show(self, out):
9086 return _object_cast_to_TripletPredicate(o)
9088 def __disown__(self):
9090 _IMP_kernel.disown_TripletPredicate(self)
9091 return weakref.proxy(self)
9093 def do_get_inputs(self, m, pis):
9094 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9095 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9098 r"""do_destroy(TripletPredicate self)"""
9099 return _IMP_kernel.TripletPredicate_do_destroy(self)
9102 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9104 r"""Proxy of C++ IMP::TripletContainer class."""
9106 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9108 def apply_generic(self, m):
9109 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9110 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9112 def apply_generic_moved(self, m, moved_pis, reset_pis):
9113 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9114 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9116 def apply(self, sm):
9117 r"""apply(TripletContainer self, TripletModifier sm)"""
9118 return _IMP_kernel.TripletContainer_apply(self, sm)
9120 def apply_moved(self, sm, moved_pis, reset_pis):
9121 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9122 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9124 def get_range_indexes(self):
9125 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9126 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9128 def get_contents(self):
9129 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9130 return _IMP_kernel.TripletContainer_get_contents(self)
9133 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9134 return _IMP_kernel.TripletContainer_get_indexes(self)
9136 def get(self, *args):
9138 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9139 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9141 return _IMP_kernel.TripletContainer_get(self, *args)
9143 def get_number(self):
9144 r"""get_number(TripletContainer self) -> unsigned int"""
9145 return _IMP_kernel.TripletContainer_get_number(self)
9147 def __init__(self, *args):
9149 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9150 __init__(TripletContainer self) -> TripletContainer
9152 if self.__class__ == TripletContainer:
9156 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9158 if self.__class__ != TripletContainer:
9159 _director_objects.register(self)
9164 def do_apply(self, sm):
9165 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9166 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9168 def do_apply_moved(self, sm, moved_pis, reset_pis):
9169 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9170 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9172 def do_get_provides_access(self):
9173 r"""do_get_provides_access(TripletContainer self) -> bool"""
9174 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9175 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9178 r"""__str__(TripletContainer self) -> std::string"""
9179 return _IMP_kernel.TripletContainer___str__(self)
9182 r"""__repr__(TripletContainer self) -> std::string"""
9183 return _IMP_kernel.TripletContainer___repr__(self)
9187 return _object_cast_to_TripletContainer(o)
9190 def do_show(self, out):
9195 return _object_cast_to_TripletContainer(o)
9197 def __disown__(self):
9199 _IMP_kernel.disown_TripletContainer(self)
9200 return weakref.proxy(self)
9203 r"""do_destroy(TripletContainer self)"""
9204 return _IMP_kernel.TripletContainer_do_destroy(self)
9206 def handle_set_has_required_score_states(self, arg0):
9207 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9208 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9210 def do_get_inputs(self):
9211 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9212 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9214 def do_get_interactions(self):
9215 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9216 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9218 def do_get_contents_hash(self):
9219 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9220 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9223 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9224 class _TripletContainerAdaptor(_InputAdaptor):
9225 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9228 __repr__ = _swig_repr
9230 def __init__(self, *args):
9232 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9233 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9234 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9236 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9238 def set_name_if_default(self, name):
9239 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9240 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9241 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9244 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9247 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9248 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9251 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9252 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9255 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9256 return _IMP_kernel.get_particles(m, ps)
9260 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9261 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9263 return _IMP_kernel.get_indexes(*args)
9264 class _ParticleIndexAdaptor(object):
9265 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9268 __repr__ = _swig_repr
9270 def __init__(self, *args):
9272 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9273 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9274 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9276 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9277 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9280 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9281 class _ParticleIndexesAdaptor(_InputAdaptor):
9282 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9285 __repr__ = _swig_repr
9287 def __init__(self, *args):
9289 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9290 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9291 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9293 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9294 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9297 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9298 class _ParticleIndexPairsAdaptor(object):
9299 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9301 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9302 __repr__ = _swig_repr
9304 def __init__(self, *args):
9306 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9307 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9308 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9310 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9311 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9314 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9316 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9320 def __init__(self, *args):
9322 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9323 __init__(_ConstRestraint self) -> _ConstRestraint
9325 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9327 def get_value(self):
9328 r"""get_value(_ConstRestraint self) -> double"""
9329 return _IMP_kernel._ConstRestraint_get_value(self)
9331 def do_create_decomposition(self):
9332 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9333 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9335 def do_get_inputs(self):
9336 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9337 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9340 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9341 return _IMP_kernel._ConstRestraint_get_version_info(self)
9342 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9345 r"""__str__(_ConstRestraint self) -> std::string"""
9346 return _IMP_kernel._ConstRestraint___str__(self)
9349 r"""__repr__(_ConstRestraint self) -> std::string"""
9350 return _IMP_kernel._ConstRestraint___repr__(self)
9354 return _object_cast_to__ConstRestraint(o)
9357 def _get_as_binary(self):
9358 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9359 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9361 def _set_from_binary(self, p):
9362 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9363 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9365 def __getstate__(self):
9366 p = self._get_as_binary()
9367 if len(self.__dict__) > 1:
9368 d = self.__dict__.copy()
9373 def __setstate__(self, p):
9374 if not hasattr(self,
'this'):
9376 if isinstance(p, tuple):
9378 self.__dict__.update(d)
9379 return self._set_from_binary(p)
9383 value = self.get_value()
9385 return self._wrap_jax(
lambda jm: value)
9389 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9391 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9393 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9395 def __init__(self, *args):
9397 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9398 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9400 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9402 def get_value(self):
9403 r"""get_value(_ConstSingletonScore self) -> double"""
9404 return _IMP_kernel._ConstSingletonScore_get_value(self)
9406 def do_get_inputs(self, arg2, arg3):
9407 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9408 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9410 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9411 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"""
9412 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9414 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9415 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"""
9416 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9418 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9419 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"""
9420 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9422 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9423 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"""
9424 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9427 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9428 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9429 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9432 r"""__str__(_ConstSingletonScore self) -> std::string"""
9433 return _IMP_kernel._ConstSingletonScore___str__(self)
9436 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9437 return _IMP_kernel._ConstSingletonScore___repr__(self)
9441 return _object_cast_to__ConstSingletonScore(o)
9444 def _get_as_binary(self):
9445 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9446 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9448 def _set_from_binary(self, p):
9449 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9450 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9452 def __getstate__(self):
9453 p = self._get_as_binary()
9454 if len(self.__dict__) > 1:
9455 d = self.__dict__.copy()
9460 def __setstate__(self, p):
9461 if not hasattr(self,
'this'):
9463 if isinstance(p, tuple):
9465 self.__dict__.update(d)
9466 return self._set_from_binary(p)
9469 def _get_jax(self, m, indexes):
9470 value = self.get_value()
9472 return self._wrap_jax(m,
lambda jm: value)
9476 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9478 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9480 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9482 def __init__(self, *args):
9484 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9485 __init__(_ConstPairScore self) -> _ConstPairScore
9487 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9489 def get_value(self):
9490 r"""get_value(_ConstPairScore self) -> double"""
9491 return _IMP_kernel._ConstPairScore_get_value(self)
9493 def do_get_inputs(self, arg2, arg3):
9494 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9495 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9497 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9498 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"""
9499 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9501 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9502 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"""
9503 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9505 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9506 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"""
9507 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9509 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9510 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"""
9511 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9514 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9515 return _IMP_kernel._ConstPairScore_get_version_info(self)
9516 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9519 r"""__str__(_ConstPairScore self) -> std::string"""
9520 return _IMP_kernel._ConstPairScore___str__(self)
9523 r"""__repr__(_ConstPairScore self) -> std::string"""
9524 return _IMP_kernel._ConstPairScore___repr__(self)
9528 return _object_cast_to__ConstPairScore(o)
9531 def _get_as_binary(self):
9532 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9533 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9535 def _set_from_binary(self, p):
9536 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9537 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9539 def __getstate__(self):
9540 p = self._get_as_binary()
9541 if len(self.__dict__) > 1:
9542 d = self.__dict__.copy()
9547 def __setstate__(self, p):
9548 if not hasattr(self,
'this'):
9550 if isinstance(p, tuple):
9552 self.__dict__.update(d)
9553 return self._set_from_binary(p)
9556 def _get_jax(self, m, indexes):
9557 value = self.get_value()
9559 return self._wrap_jax(m,
lambda jm: value)
9563 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9565 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9567 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9569 def __init__(self, *args):
9571 __init__(_TrivialDecorator self) -> _TrivialDecorator
9572 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9573 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9575 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9577 def show(self, *args):
9578 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9579 return _IMP_kernel._TrivialDecorator_show(self, *args)
9582 def setup_particle(*args):
9584 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9585 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9587 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9590 def get_is_setup(*args):
9592 get_is_setup(_ParticleAdaptor p) -> bool
9593 get_is_setup(Model m, ParticleIndex pi) -> bool
9595 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9599 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9600 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9601 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9602 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9603 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9604 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9605 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9606 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9607 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9608 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9609 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9610 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9612 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9614 def get_value(self, *args):
9616 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9617 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9618 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9619 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9620 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9621 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9622 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9623 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9624 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9625 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9626 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9628 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9630 def set_value(self, *args):
9632 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9633 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9634 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9635 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9636 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9637 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9638 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9639 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9640 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9641 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9642 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9644 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9648 remove_attribute(_TrivialDecorator self, FloatKey a0)
9649 remove_attribute(_TrivialDecorator self, IntKey a0)
9650 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9651 remove_attribute(_TrivialDecorator self, IntsKey a0)
9652 remove_attribute(_TrivialDecorator self, StringKey a0)
9653 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9654 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9655 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9656 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9657 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9658 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9660 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9662 def has_attribute(self, *args):
9664 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9665 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9666 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9667 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9668 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9669 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9670 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9671 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9672 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9673 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9674 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9676 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9678 def get_derivative(self, a0):
9679 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9680 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9683 r"""get_name(_TrivialDecorator self) -> std::string"""
9684 return _IMP_kernel._TrivialDecorator_get_name(self)
9687 r"""clear_caches(_TrivialDecorator self)"""
9688 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9690 def set_name(self, a0):
9691 r"""set_name(_TrivialDecorator self, std::string a0)"""
9692 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9695 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9696 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9698 def add_to_derivative(self, a0, a1, a2):
9699 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9700 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9703 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9704 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9706 def get_is_optimized(self, a0):
9707 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9708 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9710 def get_check_level(self):
9711 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9712 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9714 def __eq__(self, *args):
9716 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9717 __eq__(_TrivialDecorator self, Particle d) -> bool
9719 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9721 def __ne__(self, *args):
9723 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9724 __ne__(_TrivialDecorator self, Particle d) -> bool
9726 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9728 def __le__(self, *args):
9730 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9731 __le__(_TrivialDecorator self, Particle d) -> bool
9733 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9735 def __lt__(self, *args):
9737 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9738 __lt__(_TrivialDecorator self, Particle d) -> bool
9740 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9742 def __ge__(self, *args):
9744 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9745 __ge__(_TrivialDecorator self, Particle d) -> bool
9747 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9749 def __gt__(self, *args):
9751 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9752 __gt__(_TrivialDecorator self, Particle d) -> bool
9754 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9757 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9758 return _IMP_kernel._TrivialDecorator___hash__(self)
9761 r"""__str__(_TrivialDecorator self) -> std::string"""
9762 return _IMP_kernel._TrivialDecorator___str__(self)
9765 r"""__repr__(_TrivialDecorator self) -> std::string"""
9766 return _IMP_kernel._TrivialDecorator___repr__(self)
9768 def _get_as_binary(self):
9769 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9770 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9772 def _set_from_binary(self, p):
9773 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9774 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9776 def __getstate__(self):
9777 p = self._get_as_binary()
9778 if len(self.__dict__) > 1:
9779 d = self.__dict__.copy()
9784 def __setstate__(self, p):
9785 if not hasattr(self,
'this'):
9787 if isinstance(p, tuple):
9789 self.__dict__.update(d)
9790 return self._set_from_binary(p)
9792 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9795 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9796 class _TrivialDerivedDecorator(_TrivialDecorator):
9797 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9799 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9801 def __init__(self, *args):
9803 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9804 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9805 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9807 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9809 def show(self, *args):
9810 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9811 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9814 def setup_particle(*args):
9816 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9817 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9819 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9822 def get_is_setup(*args):
9824 get_is_setup(_ParticleAdaptor p) -> bool
9825 get_is_setup(Model m, ParticleIndex pi) -> bool
9827 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9831 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9832 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9833 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9834 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9835 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9836 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9837 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9838 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9839 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9840 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9841 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9842 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9844 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9846 def get_value(self, *args):
9848 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9849 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9850 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9851 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9852 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9853 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9854 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9855 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9856 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9857 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9858 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9860 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9862 def set_value(self, *args):
9864 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9865 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9866 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9867 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9868 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9869 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9870 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9871 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9872 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9873 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9874 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9876 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9880 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9881 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9882 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9883 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9884 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9885 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9886 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9887 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9888 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9889 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9890 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9892 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9894 def has_attribute(self, *args):
9896 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9897 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9898 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9899 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9900 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9901 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9902 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9903 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9904 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9905 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9906 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9908 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9910 def get_derivative(self, a0):
9911 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9912 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9915 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9916 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9919 r"""clear_caches(_TrivialDerivedDecorator self)"""
9920 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9922 def set_name(self, a0):
9923 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9924 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9927 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9928 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9930 def add_to_derivative(self, a0, a1, a2):
9931 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9932 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9935 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9936 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9938 def get_is_optimized(self, a0):
9939 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9940 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9942 def get_check_level(self):
9943 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9944 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9946 def __eq__(self, *args):
9948 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9949 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9951 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9953 def __ne__(self, *args):
9955 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9956 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9958 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9960 def __le__(self, *args):
9962 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9963 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
9965 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
9967 def __lt__(self, *args):
9969 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9970 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
9972 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
9974 def __ge__(self, *args):
9976 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9977 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
9979 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
9981 def __gt__(self, *args):
9983 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9984 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
9986 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
9989 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
9990 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
9993 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
9994 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
9997 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
9998 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
10000 def _get_as_binary(self):
10001 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10002 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10004 def _set_from_binary(self, p):
10005 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10006 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10008 def __getstate__(self):
10009 p = self._get_as_binary()
10010 if len(self.__dict__) > 1:
10011 d = self.__dict__.copy()
10016 def __setstate__(self, p):
10017 if not hasattr(self,
'this'):
10019 if isinstance(p, tuple):
10021 self.__dict__.update(d)
10022 return self._set_from_binary(p)
10024 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10027 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10028 class _TrivialTraitsDecorator(
Decorator):
10029 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10033 def get_decorator_traits(self):
10034 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10035 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10038 def get_default_decorator_traits():
10039 r"""get_default_decorator_traits() -> StringKey"""
10040 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10042 def __init__(self, *args):
10044 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10045 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10046 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10048 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10050 def show(self, *args):
10051 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10052 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10055 def setup_particle(*args):
10057 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10058 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10060 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10063 def get_is_setup(*args):
10065 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10066 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10068 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10071 def get_default_key():
10072 r"""get_default_key() -> StringKey"""
10073 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10077 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10078 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10079 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10080 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10081 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10082 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10083 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10084 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10085 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10086 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10087 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10088 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10090 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10092 def get_value(self, *args):
10094 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10095 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10096 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10097 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10098 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10099 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10100 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10101 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10102 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10103 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10104 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10106 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10108 def set_value(self, *args):
10110 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10111 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10112 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10113 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10114 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10115 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10116 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10117 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10118 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10119 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10120 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10122 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10126 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10127 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10128 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10129 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10130 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10131 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10132 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10133 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10134 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10135 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10136 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10138 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10140 def has_attribute(self, *args):
10142 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10143 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10144 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10145 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10146 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10147 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10148 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10149 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10150 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10151 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10152 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10154 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10156 def get_derivative(self, a0):
10157 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10158 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10160 def get_name(self):
10161 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10162 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10165 r"""clear_caches(_TrivialTraitsDecorator self)"""
10166 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10168 def set_name(self, a0):
10169 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10170 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10173 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10174 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10176 def add_to_derivative(self, a0, a1, a2):
10177 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10178 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10181 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10182 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10184 def get_is_optimized(self, a0):
10185 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10186 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10188 def get_check_level(self):
10189 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10190 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10192 def __eq__(self, *args):
10194 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10195 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10197 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10199 def __ne__(self, *args):
10201 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10202 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10204 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10206 def __le__(self, *args):
10208 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10209 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10211 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10213 def __lt__(self, *args):
10215 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10216 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10218 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10220 def __ge__(self, *args):
10222 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10223 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10225 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10227 def __gt__(self, *args):
10229 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10230 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10232 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10234 def __hash__(self):
10235 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10236 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10239 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10240 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10242 def __repr__(self):
10243 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10244 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10245 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10248 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10250 def __lshift__(*args):
10252 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10253 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10254 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10256 return _IMP_kernel.__lshift__(*args)
10258 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10260 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10262 def __init__(self, *args):
10264 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10265 __init__(_ConstOptimizer self) -> _ConstOptimizer
10267 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10269 def do_optimize(self, max_steps):
10270 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10271 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10274 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10275 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10276 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10279 r"""__str__(_ConstOptimizer self) -> std::string"""
10280 return _IMP_kernel._ConstOptimizer___str__(self)
10282 def __repr__(self):
10283 r"""__repr__(_ConstOptimizer self) -> std::string"""
10284 return _IMP_kernel._ConstOptimizer___repr__(self)
10288 return _object_cast_to__ConstOptimizer(o)
10291 def _get_as_binary(self):
10292 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10293 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10295 def _set_from_binary(self, p):
10296 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10297 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10299 def __getstate__(self):
10300 p = self._get_as_binary()
10301 if len(self.__dict__) > 1:
10302 d = self.__dict__.copy()
10307 def __setstate__(self, p):
10308 if not hasattr(self,
'this'):
10310 if isinstance(p, tuple):
10312 self.__dict__.update(d)
10313 return self._set_from_binary(p)
10317 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10320 r"""get_particle(Particle p) -> Particle"""
10321 return _IMP_kernel.get_particle(p)
10323 def _decorator_test(p):
10324 r"""_decorator_test(Particle p)"""
10325 return _IMP_kernel._decorator_test(p)
10327 def _overloaded_decorator(*args):
10329 _overloaded_decorator(_TrivialDecorator a) -> int
10330 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10332 return _IMP_kernel._overloaded_decorator(*args)
10334 def _take_particles(*args):
10336 _take_particles(IMP::Particles const & ps) -> unsigned int
10337 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10338 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10340 return _IMP_kernel._take_particles(*args)
10342 def _give_particles(m):
10343 r"""_give_particles(Model m) -> IMP::Particles const &"""
10344 return _IMP_kernel._give_particles(m)
10346 def _pass_particles(ps):
10347 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10348 return _IMP_kernel._pass_particles(ps)
10350 def _pass_particle(ps):
10351 r"""_pass_particle(Particle ps) -> Particle"""
10352 return _IMP_kernel._pass_particle(ps)
10354 def _pass_particle_pair(pp):
10355 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10356 return _IMP_kernel._pass_particle_pair(pp)
10358 def _give_particles_copy(m):
10359 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10360 return _IMP_kernel._give_particles_copy(m)
10362 def _pass_float_keys(input):
10363 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10364 return _IMP_kernel._pass_float_keys(input)
10368 _pass(IMP::Particles const & p) -> IMP::Particles const
10369 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10371 return _IMP_kernel._pass(*args)
10373 def _pass_decorators(p):
10374 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10375 return _IMP_kernel._pass_decorators(p)
10377 def _pass_decorator_traits(p):
10378 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10379 return _IMP_kernel._pass_decorator_traits(p)
10381 def _pass_particle_pairs(p):
10382 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10383 return _IMP_kernel._pass_particle_pairs(p)
10385 def _pass_particle_index_pairs(p):
10386 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10387 return _IMP_kernel._pass_particle_index_pairs(p)
10389 def _pass_model_objects(p):
10390 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10391 return _IMP_kernel._pass_model_objects(p)
10393 def _pass_particles_temps(ps):
10394 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10395 return _IMP_kernel._pass_particles_temps(ps)
10397 def _test_overload(*args):
10399 _test_overload(IMP::Particles const & ps) -> int
10400 _test_overload(IMP::Restraints const & ps) -> int
10402 return _IMP_kernel._test_overload(*args)
10404 def _get_range(m, k):
10405 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10406 return _IMP_kernel._get_range(m, k)
10408 def _create_particles_from_pdb(name, m):
10409 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10410 return _IMP_kernel._create_particles_from_pdb(name, m)
10412 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10415 __repr__ = _swig_repr
10417 def __init__(self):
10418 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10419 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10421 def do_get_inputs(self, arg2, arg3):
10422 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10423 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10425 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10426 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"""
10427 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10429 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10430 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"""
10431 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10433 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10434 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"""
10435 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10437 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10438 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"""
10439 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10442 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10443 return _IMP_kernel._LogPairScore_get_version_info(self)
10444 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10446 def get_particle_pairs(self):
10447 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10448 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10451 r"""clear(_LogPairScore self)"""
10452 return _IMP_kernel._LogPairScore_clear(self)
10454 def get_contains(self, pp):
10455 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10456 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10459 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10461 def _overloaded_particles(*args):
10463 _overloaded_particles(Particle arg1)
10464 _overloaded_particles(IMP::Particles const & arg1)
10465 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10466 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10467 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10468 _overloaded_particles(_TrivialDecorator arg1)
10470 return _IMP_kernel._overloaded_particles(*args)
10471 class _ImplicitParticles(object):
10472 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10474 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10475 __repr__ = _swig_repr
10477 def __init__(self, *args):
10479 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10480 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10481 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10482 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10483 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10484 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10486 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10487 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10490 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10492 def _implicit_particles(arg1):
10493 r"""_implicit_particles(_ImplicitParticles arg1)"""
10494 return _IMP_kernel._implicit_particles(arg1)
10496 def _take_particle_adaptor(pa):
10497 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10498 return _IMP_kernel._take_particle_adaptor(pa)
10500 def _take_particle_indexes_adaptor(pa):
10501 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10502 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10503 class Vector1D(_VectorBase1D):
10504 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10508 def get_unit_vector(self):
10509 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10510 return _IMP_kernel.Vector1D_get_unit_vector(self)
10512 def __truediv__(self, *args):
10513 return _IMP_kernel.Vector1D___truediv__(self, *args)
10518 r"""__neg__(Vector1D self) -> Vector1D"""
10519 return _IMP_kernel.Vector1D___neg__(self)
10521 def __sub__(self, o):
10522 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10523 return _IMP_kernel.Vector1D___sub__(self, o)
10525 def __add__(self, ret):
10526 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10527 return _IMP_kernel.Vector1D___add__(self, ret)
10529 def __mul__(self, *args):
10531 __mul__(Vector1D self, double s) -> Vector1D
10532 __mul__(Vector1D self, Vector1D o) -> double
10534 return _IMP_kernel.Vector1D___mul__(self, *args)
10536 def __init__(self, *args):
10538 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10539 __init__(Vector1D self) -> Vector1D
10540 __init__(Vector1D self, double x) -> Vector1D
10542 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10544 def __iadd__(self, *args):
10545 _IMP_kernel.Vector1D___iadd__(self, *args)
10550 def __imul__(self, *args):
10551 _IMP_kernel.Vector1D___imul__(self, *args)
10556 def __itruediv__(self, *args):
10557 _IMP_kernel.Vector1D___itruediv__(self, *args)
10562 def __isub__(self, *args):
10563 _IMP_kernel.Vector1D___isub__(self, *args)
10569 r"""__len__(Vector1D self) -> unsigned int"""
10570 return _IMP_kernel.Vector1D___len__(self)
10572 def __rmul__(self, f):
10573 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10574 return _IMP_kernel.Vector1D___rmul__(self, f)
10577 r"""__str__(Vector1D self) -> std::string"""
10578 return _IMP_kernel.Vector1D___str__(self)
10580 def __repr__(self):
10581 r"""__repr__(Vector1D self) -> std::string"""
10582 return _IMP_kernel.Vector1D___repr__(self)
10584 def __cmp__(self, arg2):
10585 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10586 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10588 def __eq__(self, arg2):
10589 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10590 return _IMP_kernel.Vector1D___eq__(self, arg2)
10592 def _get_as_binary(self):
10593 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10594 return _IMP_kernel.Vector1D__get_as_binary(self)
10596 def _set_from_binary(self, p):
10597 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10598 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10600 def __getstate__(self):
10601 p = self._get_as_binary()
10602 if len(self.__dict__) > 1:
10603 d = self.__dict__.copy()
10608 def __setstate__(self, p):
10609 if not hasattr(self,
'this'):
10611 if isinstance(p, tuple):
10613 self.__dict__.update(d)
10614 return self._set_from_binary(p)
10617 def __getitem__(self, index):
10618 if isinstance(index, slice):
10619 return [self[i]
for i
in range(*index.indices(len(self)))]
10621 return _IMP_kernel.Vector1D___getitem__(self, index)
10625 def __setitem__(self, index, val):
10626 if isinstance(index, slice):
10627 if not hasattr(val,
'__iter__'):
10628 raise TypeError(
"must assign iterable to extended slice")
10629 inds = range(*index.indices(len(self)))
10630 if len(inds) != len(val):
10632 "attempt to assign sequence of size %d "
10633 "to extended slice of size %d" % (len(val), len(inds)))
10634 for ind, v
in zip(inds, val):
10637 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10640 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10643 _IMP_kernel.Vector1D_swigregister(Vector1D)
10644 class Vector2D(_VectorBase2D):
10645 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10647 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10649 def get_unit_vector(self):
10650 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10651 return _IMP_kernel.Vector2D_get_unit_vector(self)
10653 def __truediv__(self, *args):
10654 return _IMP_kernel.Vector2D___truediv__(self, *args)
10659 r"""__neg__(Vector2D self) -> Vector2D"""
10660 return _IMP_kernel.Vector2D___neg__(self)
10662 def __sub__(self, o):
10663 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10664 return _IMP_kernel.Vector2D___sub__(self, o)
10666 def __add__(self, ret):
10667 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10668 return _IMP_kernel.Vector2D___add__(self, ret)
10670 def __mul__(self, *args):
10672 __mul__(Vector2D self, double s) -> Vector2D
10673 __mul__(Vector2D self, Vector2D o) -> double
10675 return _IMP_kernel.Vector2D___mul__(self, *args)
10677 def __init__(self, *args):
10679 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10680 __init__(Vector2D self) -> Vector2D
10681 __init__(Vector2D self, double x, double y) -> Vector2D
10683 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10685 def __iadd__(self, *args):
10686 _IMP_kernel.Vector2D___iadd__(self, *args)
10691 def __imul__(self, *args):
10692 _IMP_kernel.Vector2D___imul__(self, *args)
10697 def __itruediv__(self, *args):
10698 _IMP_kernel.Vector2D___itruediv__(self, *args)
10703 def __isub__(self, *args):
10704 _IMP_kernel.Vector2D___isub__(self, *args)
10710 r"""__len__(Vector2D self) -> unsigned int"""
10711 return _IMP_kernel.Vector2D___len__(self)
10713 def __rmul__(self, f):
10714 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10715 return _IMP_kernel.Vector2D___rmul__(self, f)
10718 r"""__str__(Vector2D self) -> std::string"""
10719 return _IMP_kernel.Vector2D___str__(self)
10721 def __repr__(self):
10722 r"""__repr__(Vector2D self) -> std::string"""
10723 return _IMP_kernel.Vector2D___repr__(self)
10725 def __cmp__(self, arg2):
10726 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10727 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10729 def __eq__(self, arg2):
10730 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10731 return _IMP_kernel.Vector2D___eq__(self, arg2)
10733 def _get_as_binary(self):
10734 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10735 return _IMP_kernel.Vector2D__get_as_binary(self)
10737 def _set_from_binary(self, p):
10738 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10739 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10741 def __getstate__(self):
10742 p = self._get_as_binary()
10743 if len(self.__dict__) > 1:
10744 d = self.__dict__.copy()
10749 def __setstate__(self, p):
10750 if not hasattr(self,
'this'):
10752 if isinstance(p, tuple):
10754 self.__dict__.update(d)
10755 return self._set_from_binary(p)
10758 def __getitem__(self, index):
10759 if isinstance(index, slice):
10760 return [self[i]
for i
in range(*index.indices(len(self)))]
10762 return _IMP_kernel.Vector2D___getitem__(self, index)
10766 def __setitem__(self, index, val):
10767 if isinstance(index, slice):
10768 if not hasattr(val,
'__iter__'):
10769 raise TypeError(
"must assign iterable to extended slice")
10770 inds = range(*index.indices(len(self)))
10771 if len(inds) != len(val):
10773 "attempt to assign sequence of size %d "
10774 "to extended slice of size %d" % (len(val), len(inds)))
10775 for ind, v
in zip(inds, val):
10778 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10781 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10784 _IMP_kernel.Vector2D_swigregister(Vector2D)
10785 class Vector3D(_VectorBase3D):
10786 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10788 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10790 def get_unit_vector(self):
10791 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10792 return _IMP_kernel.Vector3D_get_unit_vector(self)
10794 def __truediv__(self, *args):
10795 return _IMP_kernel.Vector3D___truediv__(self, *args)
10800 r"""__neg__(Vector3D self) -> Vector3D"""
10801 return _IMP_kernel.Vector3D___neg__(self)
10803 def __sub__(self, o):
10804 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10805 return _IMP_kernel.Vector3D___sub__(self, o)
10807 def __add__(self, ret):
10808 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10809 return _IMP_kernel.Vector3D___add__(self, ret)
10811 def __mul__(self, *args):
10813 __mul__(Vector3D self, double s) -> Vector3D
10814 __mul__(Vector3D self, Vector3D o) -> double
10816 return _IMP_kernel.Vector3D___mul__(self, *args)
10818 def __init__(self, *args):
10820 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10821 __init__(Vector3D self) -> Vector3D
10822 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10824 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10826 def __iadd__(self, *args):
10827 _IMP_kernel.Vector3D___iadd__(self, *args)
10832 def __imul__(self, *args):
10833 _IMP_kernel.Vector3D___imul__(self, *args)
10838 def __itruediv__(self, *args):
10839 _IMP_kernel.Vector3D___itruediv__(self, *args)
10844 def __isub__(self, *args):
10845 _IMP_kernel.Vector3D___isub__(self, *args)
10851 r"""__len__(Vector3D self) -> unsigned int"""
10852 return _IMP_kernel.Vector3D___len__(self)
10854 def __rmul__(self, f):
10855 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10856 return _IMP_kernel.Vector3D___rmul__(self, f)
10859 r"""__str__(Vector3D self) -> std::string"""
10860 return _IMP_kernel.Vector3D___str__(self)
10862 def __repr__(self):
10863 r"""__repr__(Vector3D self) -> std::string"""
10864 return _IMP_kernel.Vector3D___repr__(self)
10866 def __cmp__(self, arg2):
10867 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10868 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10870 def __eq__(self, arg2):
10871 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10872 return _IMP_kernel.Vector3D___eq__(self, arg2)
10874 def _get_as_binary(self):
10875 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10876 return _IMP_kernel.Vector3D__get_as_binary(self)
10878 def _set_from_binary(self, p):
10879 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10880 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10882 def __getstate__(self):
10883 p = self._get_as_binary()
10884 if len(self.__dict__) > 1:
10885 d = self.__dict__.copy()
10890 def __setstate__(self, p):
10891 if not hasattr(self,
'this'):
10893 if isinstance(p, tuple):
10895 self.__dict__.update(d)
10896 return self._set_from_binary(p)
10899 def __getitem__(self, index):
10900 if isinstance(index, slice):
10901 return [self[i]
for i
in range(*index.indices(len(self)))]
10903 return _IMP_kernel.Vector3D___getitem__(self, index)
10907 def __setitem__(self, index, val):
10908 if isinstance(index, slice):
10909 if not hasattr(val,
'__iter__'):
10910 raise TypeError(
"must assign iterable to extended slice")
10911 inds = range(*index.indices(len(self)))
10912 if len(inds) != len(val):
10914 "attempt to assign sequence of size %d "
10915 "to extended slice of size %d" % (len(val), len(inds)))
10916 for ind, v
in zip(inds, val):
10919 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10922 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10925 _IMP_kernel.Vector3D_swigregister(Vector3D)
10926 class Vector4D(_VectorBase4D):
10927 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10931 def get_unit_vector(self):
10932 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10933 return _IMP_kernel.Vector4D_get_unit_vector(self)
10935 def __truediv__(self, *args):
10936 return _IMP_kernel.Vector4D___truediv__(self, *args)
10941 r"""__neg__(Vector4D self) -> Vector4D"""
10942 return _IMP_kernel.Vector4D___neg__(self)
10944 def __sub__(self, o):
10945 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10946 return _IMP_kernel.Vector4D___sub__(self, o)
10948 def __add__(self, ret):
10949 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10950 return _IMP_kernel.Vector4D___add__(self, ret)
10952 def __mul__(self, *args):
10954 __mul__(Vector4D self, double s) -> Vector4D
10955 __mul__(Vector4D self, Vector4D o) -> double
10957 return _IMP_kernel.Vector4D___mul__(self, *args)
10959 def __init__(self, *args):
10961 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10962 __init__(Vector4D self) -> Vector4D
10963 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
10965 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
10967 def __iadd__(self, *args):
10968 _IMP_kernel.Vector4D___iadd__(self, *args)
10973 def __imul__(self, *args):
10974 _IMP_kernel.Vector4D___imul__(self, *args)
10979 def __itruediv__(self, *args):
10980 _IMP_kernel.Vector4D___itruediv__(self, *args)
10985 def __isub__(self, *args):
10986 _IMP_kernel.Vector4D___isub__(self, *args)
10992 r"""__len__(Vector4D self) -> unsigned int"""
10993 return _IMP_kernel.Vector4D___len__(self)
10995 def __rmul__(self, f):
10996 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
10997 return _IMP_kernel.Vector4D___rmul__(self, f)
11000 r"""__str__(Vector4D self) -> std::string"""
11001 return _IMP_kernel.Vector4D___str__(self)
11003 def __repr__(self):
11004 r"""__repr__(Vector4D self) -> std::string"""
11005 return _IMP_kernel.Vector4D___repr__(self)
11007 def __cmp__(self, arg2):
11008 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11009 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11011 def __eq__(self, arg2):
11012 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11013 return _IMP_kernel.Vector4D___eq__(self, arg2)
11015 def _get_as_binary(self):
11016 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11017 return _IMP_kernel.Vector4D__get_as_binary(self)
11019 def _set_from_binary(self, p):
11020 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11021 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11023 def __getstate__(self):
11024 p = self._get_as_binary()
11025 if len(self.__dict__) > 1:
11026 d = self.__dict__.copy()
11031 def __setstate__(self, p):
11032 if not hasattr(self,
'this'):
11034 if isinstance(p, tuple):
11036 self.__dict__.update(d)
11037 return self._set_from_binary(p)
11040 def __getitem__(self, index):
11041 if isinstance(index, slice):
11042 return [self[i]
for i
in range(*index.indices(len(self)))]
11044 return _IMP_kernel.Vector4D___getitem__(self, index)
11048 def __setitem__(self, index, val):
11049 if isinstance(index, slice):
11050 if not hasattr(val,
'__iter__'):
11051 raise TypeError(
"must assign iterable to extended slice")
11052 inds = range(*index.indices(len(self)))
11053 if len(inds) != len(val):
11055 "attempt to assign sequence of size %d "
11056 "to extended slice of size %d" % (len(val), len(inds)))
11057 for ind, v
in zip(inds, val):
11060 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11063 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11066 _IMP_kernel.Vector4D_swigregister(Vector4D)
11067 class Vector5D(_VectorBase5D):
11068 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11072 def get_unit_vector(self):
11073 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11074 return _IMP_kernel.Vector5D_get_unit_vector(self)
11076 def __truediv__(self, *args):
11077 return _IMP_kernel.Vector5D___truediv__(self, *args)
11082 r"""__neg__(Vector5D self) -> Vector5D"""
11083 return _IMP_kernel.Vector5D___neg__(self)
11085 def __sub__(self, o):
11086 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11087 return _IMP_kernel.Vector5D___sub__(self, o)
11089 def __add__(self, ret):
11090 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11091 return _IMP_kernel.Vector5D___add__(self, ret)
11093 def __mul__(self, *args):
11095 __mul__(Vector5D self, double s) -> Vector5D
11096 __mul__(Vector5D self, Vector5D o) -> double
11098 return _IMP_kernel.Vector5D___mul__(self, *args)
11100 def __init__(self, *args):
11102 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11103 __init__(Vector5D self) -> Vector5D
11104 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11106 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11108 def __iadd__(self, *args):
11109 _IMP_kernel.Vector5D___iadd__(self, *args)
11114 def __imul__(self, *args):
11115 _IMP_kernel.Vector5D___imul__(self, *args)
11120 def __itruediv__(self, *args):
11121 _IMP_kernel.Vector5D___itruediv__(self, *args)
11126 def __isub__(self, *args):
11127 _IMP_kernel.Vector5D___isub__(self, *args)
11133 r"""__len__(Vector5D self) -> unsigned int"""
11134 return _IMP_kernel.Vector5D___len__(self)
11136 def __rmul__(self, f):
11137 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11138 return _IMP_kernel.Vector5D___rmul__(self, f)
11141 r"""__str__(Vector5D self) -> std::string"""
11142 return _IMP_kernel.Vector5D___str__(self)
11144 def __repr__(self):
11145 r"""__repr__(Vector5D self) -> std::string"""
11146 return _IMP_kernel.Vector5D___repr__(self)
11148 def __cmp__(self, arg2):
11149 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11150 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11152 def __eq__(self, arg2):
11153 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11154 return _IMP_kernel.Vector5D___eq__(self, arg2)
11156 def _get_as_binary(self):
11157 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11158 return _IMP_kernel.Vector5D__get_as_binary(self)
11160 def _set_from_binary(self, p):
11161 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11162 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11164 def __getstate__(self):
11165 p = self._get_as_binary()
11166 if len(self.__dict__) > 1:
11167 d = self.__dict__.copy()
11172 def __setstate__(self, p):
11173 if not hasattr(self,
'this'):
11175 if isinstance(p, tuple):
11177 self.__dict__.update(d)
11178 return self._set_from_binary(p)
11181 def __getitem__(self, index):
11182 if isinstance(index, slice):
11183 return [self[i]
for i
in range(*index.indices(len(self)))]
11185 return _IMP_kernel.Vector5D___getitem__(self, index)
11189 def __setitem__(self, index, val):
11190 if isinstance(index, slice):
11191 if not hasattr(val,
'__iter__'):
11192 raise TypeError(
"must assign iterable to extended slice")
11193 inds = range(*index.indices(len(self)))
11194 if len(inds) != len(val):
11196 "attempt to assign sequence of size %d "
11197 "to extended slice of size %d" % (len(val), len(inds)))
11198 for ind, v
in zip(inds, val):
11201 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11204 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11207 _IMP_kernel.Vector5D_swigregister(Vector5D)
11208 class Vector6D(_VectorBase6D):
11209 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11211 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11213 def get_unit_vector(self):
11214 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11215 return _IMP_kernel.Vector6D_get_unit_vector(self)
11217 def __truediv__(self, *args):
11218 return _IMP_kernel.Vector6D___truediv__(self, *args)
11223 r"""__neg__(Vector6D self) -> Vector6D"""
11224 return _IMP_kernel.Vector6D___neg__(self)
11226 def __sub__(self, o):
11227 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11228 return _IMP_kernel.Vector6D___sub__(self, o)
11230 def __add__(self, ret):
11231 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11232 return _IMP_kernel.Vector6D___add__(self, ret)
11234 def __mul__(self, *args):
11236 __mul__(Vector6D self, double s) -> Vector6D
11237 __mul__(Vector6D self, Vector6D o) -> double
11239 return _IMP_kernel.Vector6D___mul__(self, *args)
11241 def __init__(self, *args):
11243 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11244 __init__(Vector6D self) -> Vector6D
11245 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11247 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11249 def __iadd__(self, *args):
11250 _IMP_kernel.Vector6D___iadd__(self, *args)
11255 def __imul__(self, *args):
11256 _IMP_kernel.Vector6D___imul__(self, *args)
11261 def __itruediv__(self, *args):
11262 _IMP_kernel.Vector6D___itruediv__(self, *args)
11267 def __isub__(self, *args):
11268 _IMP_kernel.Vector6D___isub__(self, *args)
11274 r"""__len__(Vector6D self) -> unsigned int"""
11275 return _IMP_kernel.Vector6D___len__(self)
11277 def __rmul__(self, f):
11278 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11279 return _IMP_kernel.Vector6D___rmul__(self, f)
11282 r"""__str__(Vector6D self) -> std::string"""
11283 return _IMP_kernel.Vector6D___str__(self)
11285 def __repr__(self):
11286 r"""__repr__(Vector6D self) -> std::string"""
11287 return _IMP_kernel.Vector6D___repr__(self)
11289 def __cmp__(self, arg2):
11290 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11291 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11293 def __eq__(self, arg2):
11294 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11295 return _IMP_kernel.Vector6D___eq__(self, arg2)
11297 def _get_as_binary(self):
11298 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11299 return _IMP_kernel.Vector6D__get_as_binary(self)
11301 def _set_from_binary(self, p):
11302 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11303 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11305 def __getstate__(self):
11306 p = self._get_as_binary()
11307 if len(self.__dict__) > 1:
11308 d = self.__dict__.copy()
11313 def __setstate__(self, p):
11314 if not hasattr(self,
'this'):
11316 if isinstance(p, tuple):
11318 self.__dict__.update(d)
11319 return self._set_from_binary(p)
11322 def __getitem__(self, index):
11323 if isinstance(index, slice):
11324 return [self[i]
for i
in range(*index.indices(len(self)))]
11326 return _IMP_kernel.Vector6D___getitem__(self, index)
11330 def __setitem__(self, index, val):
11331 if isinstance(index, slice):
11332 if not hasattr(val,
'__iter__'):
11333 raise TypeError(
"must assign iterable to extended slice")
11334 inds = range(*index.indices(len(self)))
11335 if len(inds) != len(val):
11337 "attempt to assign sequence of size %d "
11338 "to extended slice of size %d" % (len(val), len(inds)))
11339 for ind, v
in zip(inds, val):
11342 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11345 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11348 _IMP_kernel.Vector6D_swigregister(Vector6D)
11349 class VectorKD(_VectorBaseKD):
11350 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11352 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11354 def get_unit_vector(self):
11355 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11356 return _IMP_kernel.VectorKD_get_unit_vector(self)
11358 def __truediv__(self, *args):
11359 return _IMP_kernel.VectorKD___truediv__(self, *args)
11364 r"""__neg__(VectorKD self) -> VectorKD"""
11365 return _IMP_kernel.VectorKD___neg__(self)
11367 def __sub__(self, o):
11368 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11369 return _IMP_kernel.VectorKD___sub__(self, o)
11371 def __add__(self, ret):
11372 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11373 return _IMP_kernel.VectorKD___add__(self, ret)
11375 def __mul__(self, *args):
11377 __mul__(VectorKD self, double s) -> VectorKD
11378 __mul__(VectorKD self, VectorKD o) -> double
11380 return _IMP_kernel.VectorKD___mul__(self, *args)
11382 def __init__(self, *args):
11384 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11385 __init__(VectorKD self) -> VectorKD
11386 __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
11388 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11390 def __iadd__(self, *args):
11391 _IMP_kernel.VectorKD___iadd__(self, *args)
11396 def __imul__(self, *args):
11397 _IMP_kernel.VectorKD___imul__(self, *args)
11402 def __itruediv__(self, *args):
11403 _IMP_kernel.VectorKD___itruediv__(self, *args)
11408 def __isub__(self, *args):
11409 _IMP_kernel.VectorKD___isub__(self, *args)
11415 r"""__len__(VectorKD self) -> unsigned int"""
11416 return _IMP_kernel.VectorKD___len__(self)
11418 def __rmul__(self, f):
11419 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11420 return _IMP_kernel.VectorKD___rmul__(self, f)
11423 r"""__str__(VectorKD self) -> std::string"""
11424 return _IMP_kernel.VectorKD___str__(self)
11426 def __repr__(self):
11427 r"""__repr__(VectorKD self) -> std::string"""
11428 return _IMP_kernel.VectorKD___repr__(self)
11430 def __cmp__(self, arg2):
11431 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11432 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11434 def __eq__(self, arg2):
11435 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11436 return _IMP_kernel.VectorKD___eq__(self, arg2)
11438 def _get_as_binary(self):
11439 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11440 return _IMP_kernel.VectorKD__get_as_binary(self)
11442 def _set_from_binary(self, p):
11443 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11444 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11446 def __getstate__(self):
11447 p = self._get_as_binary()
11448 if len(self.__dict__) > 1:
11449 d = self.__dict__.copy()
11454 def __setstate__(self, p):
11455 if not hasattr(self,
'this'):
11457 if isinstance(p, tuple):
11459 self.__dict__.update(d)
11460 return self._set_from_binary(p)
11463 def __getitem__(self, index):
11464 if isinstance(index, slice):
11465 return [self[i]
for i
in range(*index.indices(len(self)))]
11467 return _IMP_kernel.VectorKD___getitem__(self, index)
11471 def __setitem__(self, index, val):
11472 if isinstance(index, slice):
11473 if not hasattr(val,
'__iter__'):
11474 raise TypeError(
"must assign iterable to extended slice")
11475 inds = range(*index.indices(len(self)))
11476 if len(inds) != len(val):
11478 "attempt to assign sequence of size %d "
11479 "to extended slice of size %d" % (len(val), len(inds)))
11480 for ind, v
in zip(inds, val):
11483 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11486 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11489 _IMP_kernel.VectorKD_swigregister(VectorKD)
11491 def get_basis_vector_1d(coordinate):
11492 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11493 return _IMP_kernel.get_basis_vector_1d(coordinate)
11495 def get_basis_vector_2d(coordinate):
11496 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11497 return _IMP_kernel.get_basis_vector_2d(coordinate)
11499 def get_basis_vector_3d(coordinate):
11500 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11501 return _IMP_kernel.get_basis_vector_3d(coordinate)
11503 def get_basis_vector_4d(coordinate):
11504 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11505 return _IMP_kernel.get_basis_vector_4d(coordinate)
11507 def get_basis_vector_5d(coordinate):
11508 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11509 return _IMP_kernel.get_basis_vector_5d(coordinate)
11511 def get_basis_vector_6d(coordinate):
11512 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11513 return _IMP_kernel.get_basis_vector_6d(coordinate)
11515 def get_zero_vector_1d():
11516 r"""get_zero_vector_1d() -> Vector1D"""
11517 return _IMP_kernel.get_zero_vector_1d()
11519 def get_zero_vector_2d():
11520 r"""get_zero_vector_2d() -> Vector2D"""
11521 return _IMP_kernel.get_zero_vector_2d()
11523 def get_zero_vector_3d():
11524 r"""get_zero_vector_3d() -> Vector3D"""
11525 return _IMP_kernel.get_zero_vector_3d()
11527 def get_zero_vector_4d():
11528 r"""get_zero_vector_4d() -> Vector4D"""
11529 return _IMP_kernel.get_zero_vector_4d()
11531 def get_zero_vector_5d():
11532 r"""get_zero_vector_5d() -> Vector5D"""
11533 return _IMP_kernel.get_zero_vector_5d()
11535 def get_zero_vector_6d():
11536 r"""get_zero_vector_6d() -> Vector6D"""
11537 return _IMP_kernel.get_zero_vector_6d()
11539 def get_ones_vector_1d(v=1):
11540 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11541 return _IMP_kernel.get_ones_vector_1d(v)
11543 def get_ones_vector_2d(v=1):
11544 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11545 return _IMP_kernel.get_ones_vector_2d(v)
11547 def get_ones_vector_3d(v=1):
11548 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11549 return _IMP_kernel.get_ones_vector_3d(v)
11551 def get_ones_vector_4d(v=1):
11552 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11553 return _IMP_kernel.get_ones_vector_4d(v)
11555 def get_ones_vector_5d(v=1):
11556 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11557 return _IMP_kernel.get_ones_vector_5d(v)
11559 def get_ones_vector_6d(v=1):
11560 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11561 return _IMP_kernel.get_ones_vector_6d(v)
11563 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11565 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11566 __repr__ = _swig_repr
11568 def __init__(self, *args):
11570 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11571 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11573 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11575 def do_add_score_and_derivatives(self, sa, ss):
11576 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11577 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11579 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11580 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)"""
11581 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11583 def do_get_inputs(self):
11584 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11585 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11587 def get_restraints(self):
11588 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11589 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11591 def set_restraints(self, s):
11592 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11593 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11595 def get_number_of_restraints(self):
11596 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11597 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11599 def clear_restraints(self):
11600 r"""clear_restraints(_RestraintsScoringFunction self)"""
11601 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11603 def get_restraint(self, i):
11604 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11605 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11607 def erase_restraint(self, i):
11608 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11609 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11612 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11613 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11616 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11617 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11619 def _python_index_restraint(self, r, start, stop):
11620 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11621 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11624 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11625 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11626 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11630 return _object_cast_to__RestraintsScoringFunction(o)
11633 def __get_restraints(self):
11634 return _list_util.VarList(
11635 getdimfunc=self.get_number_of_restraints,
11636 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11637 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11638 clearfunc=self.clear_restraints,
11639 indexfunc=self._python_index_restraint)
11641 def __set_restraints(self, obj):
11642 _list_util.set_varlist(self.restraints, obj)
11644 def __del_restraints(self):
11645 _list_util.del_varlist(self.restraints)
11647 restraints = property(__get_restraints, __set_restraints,
11648 __del_restraints, doc=
"List of Restraints")
11651 def _get_jax(self):
11652 import IMP._jax_util
11653 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
11654 funcs = [j.score_func
for j
in jis]
11655 keys = frozenset(x
for j
in jis
for x
in j._keys)
11657 return sum(f(jm)
for f
in funcs)
11658 return IMP._jax_util.JAXRestraintInfo(
11659 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11663 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11665 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11667 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11669 def __init__(self, *args):
11671 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11672 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11674 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11676 def set(self, p, key, value):
11677 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11678 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11681 r"""reset(ScopedSetFloatAttribute self)"""
11682 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11683 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11685 def show(self, *args):
11686 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11687 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11690 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11691 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11693 def __repr__(self):
11694 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11695 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11698 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11700 def _get_module_data_path(module, file_name):
11701 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11702 return _IMP_kernel._get_module_data_path(module, file_name)
11704 def _get_module_example_path(module, file_name):
11705 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11706 return _IMP_kernel._get_module_example_path(module, file_name)
11715 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11716 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11717 pathcomps = os.environ[
'PATH'].split(
";")
11719 if d
not in pathcomps:
11720 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11728 """Allow command line tools to easily implement multiple commands.
11729 Typically, an IMP command line tool will use an instance of this class
11730 to provide a consistent interface to multiple distinct commands
11731 from a single binary, rather than providing a potentially large
11732 number of binaries. This is similar to the way a number of common
11733 command line tools outside of IMP function (e.g. Git provides a single
11734 `git` tool which implements multiple commands - `git add`, `git commit`,
11735 `git push` and so on).
11737 Each command is implemented with a Python module of the same name
11738 that can be imported from the module (for example, if `module_name`
11739 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11740 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11741 Each such module should have a docstring and a `%main()` method
11742 that takes no arguments (the module should also call its `%main()` method
11743 if it is run directly, i.e. with something like
11744 `if __name__=="__main__": %main()`). The encompassing module
11745 (`IMP.foo` in the example) should define `_all_commands` as a Python
11746 list of all valid commands.
11748 See the `multifit` and `cnmultifit` command line tools for example
11754 @param short_help A few words that describe the command line tool.
11755 @param long_help Longer text, used in the `help` command.
11756 @param module_name Name of the module (e.g. `IMP.foo`) that
11757 implements the commands.
11759 self.short_help = short_help
11760 self.long_help = long_help
11761 self.module_name = module_name
11762 self._all_commands = self.import_module()._all_commands
11763 self._progname = os.path.basename(sys.argv[0])
11766 """Call this method to act upon the user-provided command line"""
11767 if len(sys.argv) <= 1:
11768 print(self.short_help +
" Use '%s help' for help." % self._progname)
11770 command = sys.argv[1]
11771 if command
in (
'help',
'--help',
'-h'):
11772 if len(sys.argv) == 3:
11773 self.show_command_help(sys.argv[2])
11776 elif command ==
'--version':
11777 self.show_version()
11778 elif command
in self._all_commands:
11779 self.do_command(command)
11781 self.unknown_command(command)
11783 def import_module(self, mod=None):
11784 modname = self.module_name
11785 if mod
is not None:
11786 modname +=
"." + mod
11787 return __import__(modname, {}, {}, [
''])
11789 def unknown_command(self, command):
11790 print(
"Unknown command: '%s'" % command)
11791 print(
"Use '%s help' for help." % self._progname)
11794 def _get_version(self):
11797 def show_version(self):
11798 print(self._progname +
' ' + self._get_version())
11800 def show_help(self):
11801 ver = self._get_version()
11802 print(
"%s, version %s." % (self._progname, ver))
11803 print(self.long_help +
"""
11805 This program is part of IMP, the Integrative Modeling Platform,
11807 For additional information about IMP, see <https://integrativemodeling.org>.
11809 Usage: %s <command> [options] [args]
11812 commands = self._all_commands[:] + [
'help']
11814 cmdlen = max([len(c)
for c
in commands])
11817 doc =
'Get help on using %s.' % self._progname
11819 doc = self.import_module(c).__doc__
or "<no help>"
11820 c +=
' ' * (cmdlen - len(c))
11821 print(
' ' + c +
' ' + doc)
11823 Use "%s help <command>" for detailed help on any command
11824 or "%s --version" to see the version number.""" % (self._progname,
11827 def do_command(self, command):
11828 mod = self.import_module(command)
11829 sys.argv[0] = self._progname +
' ' + command
11833 def show_command_help(self, command):
11834 if command ==
'help':
11836 elif command
in self._all_commands
or command ==
'help':
11837 mod = self.import_module(command)
11838 sys.argv = [self._progname +
' ' + command,
'--help']
11841 self.unknown_command(command)
11848 g = networkx.DiGraph()
11849 if len(ig.get_vertices()) == 0:
11858 return self.p.get_name()
11860 def __call__(self, name):
11861 return self.p.__call__(name)
11863 for vi
in ig.get_vertices():
11864 n = ig.get_vertex_name(vi)
11865 g.add_node(NodeWrapper(n))
11866 for vi
in ig.get_vertices():
11867 n = ig.get_vertex_name(vi)
11868 for ni
in ig.get_out_neighbors(vi):
11869 nn = ig.get_vertex_name(ni)
11870 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11877 n0 = name.get_name()
11880 n1 = str(n0).replace(
'"',
'')
11881 n2 = n1.replace(
"\n",
'')
11884 from altgraph
import Graph, Dot
11885 graph = Graph.Graph()
11886 for i, v
in enumerate(g.get_vertices()):
11888 for i, v
in enumerate(g.get_vertices()):
11889 for n
in g.get_out_neighbors(v):
11890 graph.add_edge(v, n)
11891 dot = Dot.Dot(graph)
11892 for i, v
in enumerate(g.get_vertices()):
11893 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11901 st = g.get_graphviz_string()
11902 with open(tfn,
"w")
as fh:
11905 print(
"running dot")
11906 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11910 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")
11913 if platform.system() ==
"Darwin":
11916 cmd = [
"gv",
"acroread",
"xpdf"]
11919 print(
"launching viewer " + c)
11921 subprocess.check_call([c, tfon])
11927 print(
"Could not display file. It is saved at " + tfon)
11937 """Mark a Python module as deprecated.
11938 @note The `module` argument would normally be `__name__`.
11939 @see [deprecation support](@ref deprecation)."""
11941 "Module %s is deprecated. %s\n" % (module, help_message))
11944 """Python decorator to mark a class as deprecated.
11945 @see [deprecation support](@ref deprecation)."""
11947 orig_init = obj.__init__
11950 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11951 def __init__(obj, *args, **keys):
11953 % (type(obj), help_message))
11954 orig_init(obj, *args, **keys)
11955 obj.__init__ = __init__
11960 """Python decorator to mark a method as deprecated.
11961 @see [deprecation support](@ref deprecation)."""
11962 def out_wrapper(obj):
11963 @functools.wraps(obj)
11964 def wrapper(cls, *args, **keys):
11966 % (obj.__name__, type(cls), help_message))
11967 return obj(cls, *args, **keys)
11972 """Python decorator to mark a function as deprecated.
11973 @see [deprecation support](@ref deprecation)."""
11974 def out_wrapper(obj):
11975 @functools.wraps(obj)
11976 def wrapper(*args, **keys):
11978 % (obj.__name__, help_message))
11979 return obj(*args, **keys)
11983 @contextlib.contextmanager
11985 """Context manager to temporarily allow (or disallow) deprecated code.
11986 @see [deprecation support](@ref deprecation)."""
11993 def _get_all_flags(ntokens):
11994 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
11995 return _IMP_kernel._get_all_flags(ntokens)
11997 def _print_internal_help(out, description):
11998 r"""_print_internal_help(_ostream out, std::string description)"""
11999 return _IMP_kernel._print_internal_help(out, description)
12005 class _PassThroughAction(argparse.Action):
12006 """Pass an argument through to the IMP Boost parser"""
12007 def __call__(self, parser, namespace, values, option_string=None):
12008 parser._boost_command_line.append(option_string)
12010 parser._boost_command_line.append(values)
12013 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12014 parser._handle_boost()
12018 """IMP-specific subclass of argparse.ArgumentParser.
12019 This adds options common to all IMP applications
12020 (see IMP::setup_from_argv()).
12023 def __init__(self, *args, **kwargs):
12025 kwargs[
'add_help'] =
False
12026 super().__init__(*args, **kwargs)
12027 for ntoken
in (0, 1):
12028 flags = _get_all_flags(ntoken)
12030 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12031 self.add_argument(*arg, help=argparse.SUPPRESS,
12032 nargs=
None if ntoken
else 0,
12033 action=_PassThroughAction,
12034 default=argparse.SUPPRESS)
12037 """Parse the command line and return optional and positional arguments.
12038 This functions in the same way as the method in the base class
12039 argparse.ArgumentParser, except that it also processes optional
12040 arguments common to all IMP applications (these are not returned
12041 in `args`, but can be obtained in the usual way, e.g. by calling
12042 IMP::get_string_flag()).
12045 self._boost_command_line = [sys.argv[0]]
12047 if len(self._boost_command_line) > 1:
12048 self._handle_boost()
12051 def _get_description(self):
12052 return self.format_help() +
"\nOptions common to all IMP applications:"
12054 def print_help(self, file=None):
12055 _print_internal_help(file
if file
else sys.stdout,
12056 self._get_description())
12058 def _handle_boost(self):
12060 self._get_description(),
12063 class RandomNumberGenerator(object):
12064 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12066 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12067 __repr__ = _swig_repr
12070 r"""seed(RandomNumberGenerator self, int x)"""
12071 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12073 def __call__(self):
12074 r"""__call__(RandomNumberGenerator self) -> int"""
12075 return _IMP_kernel.RandomNumberGenerator___call__(self)
12077 def get_state(self):
12078 r"""get_state(RandomNumberGenerator self) -> PyObject *"""
12079 return _IMP_kernel.RandomNumberGenerator_get_state(self)
12081 def set_state(self, p):
12082 r"""set_state(RandomNumberGenerator self, PyObject * p)"""
12083 return _IMP_kernel.RandomNumberGenerator_set_state(self, p)
12085 def __init__(self):
12086 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12087 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12088 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12091 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12095 get_random_float_uniform() -> float
12096 get_random_float_uniform(float min, float max) -> float
12098 return _IMP_kernel.get_random_float_uniform(*args)
12102 get_random_double_uniform() -> double
12103 get_random_double_uniform(double min, double max) -> double
12105 return _IMP_kernel.get_random_double_uniform(*args)
12107 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12108 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12109 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12111 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12112 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12113 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12115 def get_random_floats_uniform(n):
12116 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12117 return _IMP_kernel.get_random_floats_uniform(n)
12119 def get_random_doubles_uniform(n):
12120 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12121 return _IMP_kernel.get_random_doubles_uniform(n)
12124 r"""get_random_seed() -> boost::uint64_t"""
12125 return _IMP_kernel.get_random_seed()
12127 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12128 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12129 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12131 def _get_floats_numpy(m, k, m_pyobj, read_only):
12132 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12133 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12135 def _get_ints_numpy(m, k, m_pyobj, read_only):
12136 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12137 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12139 def _get_particle_indexes_numpy(m, k, m_pyobj, read_only):
12140 r"""_get_particle_indexes_numpy(Model m, ParticleIndexKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12141 return _IMP_kernel._get_particle_indexes_numpy(m, k, m_pyobj, read_only)
12143 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12144 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12145 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12147 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12148 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12149 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12151 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12152 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12153 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12155 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12156 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12157 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12159 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12160 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12161 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12163 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12164 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12165 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12167 def _get_spheres_numpy(m, m_pyobj, read_only):
12168 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12169 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12171 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12172 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12173 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12175 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12176 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12177 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12179 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12180 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12181 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12185 ParticleIndex = numpy.intc
12186 except ImportError:
12191 """Warning for incomplete JAX support or different behavior of JAX code"""
12195 def get_module_name():
12196 r"""get_module_name() -> std::string const"""
12197 return _IMP_kernel.get_module_name()
12200 r"""get_module_version() -> std::string const"""
12201 return _IMP_kernel.get_module_version()
12204 r"""get_example_path(std::string fname) -> std::string"""
12205 return _IMP_kernel.get_example_path(fname)
12208 r"""get_data_path(std::string fname) -> std::string"""
12209 return _IMP_kernel.get_data_path(fname)
12211 from .
import _version_check
12216 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.
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.
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.