14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_KERNEL_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_KERNEL_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_kernel.delete_IMP_KERNEL_SwigPyIterator
77 r"""value(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
78 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_value(self)
81 r"""incr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
82 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
86 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
94 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_KERNEL_SwigPyIterator self) -> IMP_KERNEL_SwigPyIterator"""
98 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_copy(self)
101 r"""next(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
102 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_next(self)
105 r"""__next__(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
106 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___next__(self)
109 r"""previous(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
110 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
114 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
118 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
122 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
126 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
130 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
134 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator
139 __sub__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___sub__(self, *args)
146 _IMP_kernel.IMP_KERNEL_SwigPyIterator_swigregister(IMP_KERNEL_SwigPyIterator)
153 IMP_DEBUG = _IMP_kernel.IMP_DEBUG
155 IMP_RELEASE = _IMP_kernel.IMP_RELEASE
157 IMP_SILENT = _IMP_kernel.IMP_SILENT
159 IMP_PROGRESS = _IMP_kernel.IMP_PROGRESS
161 IMP_TERSE = _IMP_kernel.IMP_TERSE
163 IMP_VERBOSE = _IMP_kernel.IMP_VERBOSE
165 IMP_MEMORY = _IMP_kernel.IMP_MEMORY
167 IMP_NONE = _IMP_kernel.IMP_NONE
169 IMP_USAGE = _IMP_kernel.IMP_USAGE
171 IMP_INTERNAL = _IMP_kernel.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_kernel.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_kernel.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_kernel.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_kernel.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_kernel.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_kernel.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_kernel.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_kernel.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 DEFAULT_CHECK = _IMP_kernel.DEFAULT_CHECK
226 NONE = _IMP_kernel.NONE
228 USAGE = _IMP_kernel.USAGE
230 USAGE_AND_INTERNAL = _IMP_kernel.USAGE_AND_INTERNAL
234 r"""set_check_level(IMP::CheckLevel tf)"""
235 return _IMP_kernel.set_check_level(tf)
238 r"""get_check_level() -> IMP::CheckLevel"""
239 return _IMP_kernel.get_check_level()
241 from _IMP_kernel
import Exception, InternalException, ModelException, EventException
242 from _IMP_kernel
import UsageException, IndexException, IOException, ValueException
243 from _IMP_kernel
import TypeException
245 class _ostream(object):
246 r"""Proxy of C++ std::ostream class."""
248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
250 def __init__(self, *args, **kwargs):
251 raise AttributeError(
"No constructor defined")
252 __repr__ = _swig_repr
254 def write(self, osa_buf):
255 r"""write(_ostream self, char const * osa_buf)"""
256 return _IMP_kernel._ostream_write(self, osa_buf)
259 _IMP_kernel._ostream_swigregister(_ostream)
260 IMP_C_OPEN_BINARY = _IMP_kernel.IMP_C_OPEN_BINARY
263 from .
import _list_util
266 _models_set = weakref.WeakSet()
268 def _models_set_get(m):
269 for x
in _models_set:
274 _raii_types.append(
"SetLogState")
277 _raii_types.append(
"SetNumberOfThreads")
280 _raii_types.append(
"SetCheckState")
283 _object_types.append(
"Object")
286 def _object_cast_to_Object(o):
287 r"""_object_cast_to_Object(Object * o) -> Object"""
288 return _IMP_kernel._object_cast_to_Object(o)
290 _object_types.append(
"_TestObject")
293 def _object_cast_to__TestObject(o):
294 r"""_object_cast_to__TestObject(Object * o) -> _TestObject"""
295 return _IMP_kernel._object_cast_to__TestObject(o)
298 _plural_types.append(
"VersionInfos")
299 _value_types.append(
"VersionInfo")
302 _raii_types.append(
"CreateLogContext")
305 _raii_types.append(
"WarningContext")
308 _raii_types.append(
"SetLogTarget")
312 _plural_types.append(
"_TestValues")
313 _value_types.append(
"_TestValue")
317 _plural_types.append(
"Floats")
318 _value_types.append(
"Float")
322 _plural_types.append(
"Ints")
323 _value_types.append(
"Int")
327 _plural_types.append(
"Strings")
328 _value_types.append(
"String")
332 _plural_types.append(
"_Protections")
333 _value_types.append(
"_Protection")
335 class _InputAdaptor(object):
336 r"""Proxy of C++ IMP::InputAdaptor class."""
338 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
340 def __init__(self, *args, **kwargs):
341 raise AttributeError(
"No constructor defined")
342 __repr__ = _swig_repr
344 def __getstate__(self):
345 raise NotImplementedError(str(self.__class__)
346 +
" does not support serialization")
348 __swig_destroy__ = _IMP_kernel.delete__InputAdaptor
351 _IMP_kernel._InputAdaptor_swigregister(_InputAdaptor)
352 class _NonCopyable(object):
353 r"""Proxy of C++ IMP::NonCopyable class."""
355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
357 def __init__(self, *args, **kwargs):
358 raise AttributeError(
"No constructor defined")
359 __repr__ = _swig_repr
360 __swig_destroy__ = _IMP_kernel.delete__NonCopyable
363 _IMP_kernel._NonCopyable_swigregister(_NonCopyable)
364 class _RAII(_NonCopyable):
365 r"""Proxy of C++ IMP::RAII class."""
367 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
369 def __init__(self, *args, **kwargs):
370 raise AttributeError(
"No constructor defined")
371 __repr__ = _swig_repr
372 __swig_destroy__ = _IMP_kernel.delete__RAII
375 _IMP_kernel._RAII_swigregister(_RAII)
376 class _Value(object):
377 r"""Proxy of C++ IMP::Value class."""
379 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
381 def __init__(self, *args, **kwargs):
382 raise AttributeError(
"No constructor defined")
383 __repr__ = _swig_repr
385 def __getstate__(self):
386 raise NotImplementedError(str(self.__class__)
387 +
" does not support serialization")
389 __swig_destroy__ = _IMP_kernel.delete__Value
392 _IMP_kernel._Value_swigregister(_Value)
395 r"""get_executable_name() -> std::string"""
396 return _IMP_kernel.get_executable_name()
400 setup_from_argv(IMP::Strings const & argv, std::string description)
401 setup_from_argv(IMP::Strings const & argv, std::string description, std::string positional_description, int num_positional) -> IMP::Strings
403 return _IMP_kernel.setup_from_argv(*args)
406 r"""add_string_flag(std::string name, std::string default_value, std::string description)"""
407 return _IMP_kernel.add_string_flag(name, default_value, description)
410 r"""get_string_flag(std::string name) -> std::string"""
411 return _IMP_kernel.get_string_flag(name)
414 r"""add_int_flag(std::string name, size_t default_value, std::string description)"""
415 return _IMP_kernel.add_int_flag(name, default_value, description)
418 r"""get_int_flag(std::string name) -> size_t"""
419 return _IMP_kernel.get_int_flag(name)
422 r"""add_bool_flag(std::string name, std::string description)"""
423 return _IMP_kernel.add_bool_flag(name, description)
426 r"""get_bool_flag(std::string name) -> bool"""
427 return _IMP_kernel.get_bool_flag(name)
430 r"""add_float_flag(std::string name, double default_value, std::string description)"""
431 return _IMP_kernel.add_float_flag(name, default_value, description)
434 r"""get_float_flag(std::string name) -> double"""
435 return _IMP_kernel.get_float_flag(name)
438 r"""write_help(_ostream out=std::cerr)"""
439 return _IMP_kernel.write_help(*args)
442 r"""get_is_quick_test() -> bool"""
443 return _IMP_kernel.get_is_quick_test()
444 DEFAULT = _IMP_kernel.DEFAULT
446 SILENT = _IMP_kernel.SILENT
448 WARNING = _IMP_kernel.WARNING
450 PROGRESS = _IMP_kernel.PROGRESS
452 TERSE = _IMP_kernel.TERSE
454 VERBOSE = _IMP_kernel.VERBOSE
456 MEMORY = _IMP_kernel.MEMORY
458 ALL_LOG = _IMP_kernel.ALL_LOG
460 class VersionInfo(_Value):
461 r"""Proxy of C++ IMP::VersionInfo class."""
463 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
465 def __init__(self, *args):
467 __init__(VersionInfo self, std::string module, std::string version) -> VersionInfo
468 __init__(VersionInfo self) -> VersionInfo
470 _IMP_kernel.VersionInfo_swiginit(self, _IMP_kernel.new_VersionInfo(*args))
472 def get_module(self):
473 r"""get_module(VersionInfo self) -> std::string"""
474 return _IMP_kernel.VersionInfo_get_module(self)
476 def get_version(self):
477 r"""get_version(VersionInfo self) -> std::string"""
478 return _IMP_kernel.VersionInfo_get_version(self)
480 def show(self, *args):
481 r"""show(VersionInfo self, _ostream out=std::cout)"""
482 return _IMP_kernel.VersionInfo_show(self, *args)
484 def __cmp__(self, o):
485 r"""__cmp__(VersionInfo self, VersionInfo o) -> int"""
486 return _IMP_kernel.VersionInfo___cmp__(self, o)
489 r"""__eq__(VersionInfo self, VersionInfo o) -> bool"""
490 return _IMP_kernel.VersionInfo___eq__(self, o)
493 r"""__ne__(VersionInfo self, VersionInfo o) -> bool"""
494 return _IMP_kernel.VersionInfo___ne__(self, o)
497 r"""__lt__(VersionInfo self, VersionInfo o) -> bool"""
498 return _IMP_kernel.VersionInfo___lt__(self, o)
501 r"""__gt__(VersionInfo self, VersionInfo o) -> bool"""
502 return _IMP_kernel.VersionInfo___gt__(self, o)
505 r"""__ge__(VersionInfo self, VersionInfo o) -> bool"""
506 return _IMP_kernel.VersionInfo___ge__(self, o)
509 r"""__le__(VersionInfo self, VersionInfo o) -> bool"""
510 return _IMP_kernel.VersionInfo___le__(self, o)
513 r"""__str__(VersionInfo self) -> std::string"""
514 return _IMP_kernel.VersionInfo___str__(self)
517 r"""__repr__(VersionInfo self) -> std::string"""
518 return _IMP_kernel.VersionInfo___repr__(self)
520 def _get_as_binary(self):
521 r"""_get_as_binary(VersionInfo self) -> PyObject *"""
522 return _IMP_kernel.VersionInfo__get_as_binary(self)
524 def _set_from_binary(self, p):
525 r"""_set_from_binary(VersionInfo self, PyObject * p)"""
526 return _IMP_kernel.VersionInfo__set_from_binary(self, p)
528 def __getstate__(self):
529 p = self._get_as_binary()
530 if len(self.__dict__) > 1:
531 d = self.__dict__.copy()
536 def __setstate__(self, p):
537 if not hasattr(self,
'this'):
539 if isinstance(p, tuple):
541 self.__dict__.update(d)
542 return self._set_from_binary(p)
544 __swig_destroy__ = _IMP_kernel.delete_VersionInfo
547 _IMP_kernel.VersionInfo_swigregister(VersionInfo)
548 class TextOutput(_InputAdaptor):
549 r"""Proxy of C++ IMP::TextOutput class."""
551 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
552 __repr__ = _swig_repr
554 def __init__(self, *args):
556 __init__(TextOutput self, int arg2) -> TextOutput
557 __init__(TextOutput self, double arg2) -> TextOutput
558 __init__(TextOutput self, char const * c, bool append=False) -> TextOutput
559 __init__(TextOutput self, IMP::TextProxy< std::ostream > p) -> TextOutput
560 __init__(TextOutput self) -> TextOutput
561 __init__(TextOutput self, std::string file_name, bool append=False) -> TextOutput
563 _IMP_kernel.TextOutput_swiginit(self, _IMP_kernel.new_TextOutput(*args))
565 def show(self, *args):
566 r"""show(TextOutput self, _ostream out=std::cout)"""
567 return _IMP_kernel.TextOutput_show(self, *args)
570 r"""get_name(TextOutput self) -> std::string"""
571 return _IMP_kernel.TextOutput_get_name(self)
572 __swig_destroy__ = _IMP_kernel.delete_TextOutput
575 _IMP_kernel.TextOutput_swigregister(TextOutput)
576 class TextInput(_InputAdaptor):
577 r"""Proxy of C++ IMP::TextInput class."""
579 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
580 __repr__ = _swig_repr
582 def __init__(self, *args):
584 __init__(TextInput self, int arg2) -> TextInput
585 __init__(TextInput self, double arg2) -> TextInput
586 __init__(TextInput self, char const * c) -> TextInput
587 __init__(TextInput self, IMP::TextProxy< std::istream > p) -> TextInput
588 __init__(TextInput self) -> TextInput
589 __init__(TextInput self, std::string file_name) -> TextInput
591 _IMP_kernel.TextInput_swiginit(self, _IMP_kernel.new_TextInput(*args))
593 def show(self, *args):
594 r"""show(TextInput self, _ostream out=std::cout)"""
595 return _IMP_kernel.TextInput_show(self, *args)
598 r"""get_name(TextInput self) -> std::string"""
599 return _IMP_kernel.TextInput_get_name(self)
601 def set_binary_open_mode(self, binary):
602 r"""set_binary_open_mode(TextInput self, bool binary)"""
603 return _IMP_kernel.TextInput_set_binary_open_mode(self, binary)
604 __swig_destroy__ = _IMP_kernel.delete_TextInput
607 _IMP_kernel.TextInput_swigregister(TextInput)
608 class SetLogTarget(_RAII):
609 r"""Proxy of C++ IMP::SetLogTarget class."""
611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
613 def __init__(self, *args):
615 __init__(SetLogTarget self) -> SetLogTarget
616 __init__(SetLogTarget self, TextOutput to) -> SetLogTarget
618 _IMP_kernel.SetLogTarget_swiginit(self, _IMP_kernel.new_SetLogTarget(*args))
621 r"""set(SetLogTarget self, TextOutput to)"""
622 return _IMP_kernel.SetLogTarget_set(self, to)
625 r"""reset(SetLogTarget self)"""
626 return _IMP_kernel.SetLogTarget_reset(self)
627 __swig_destroy__ = _IMP_kernel.delete_SetLogTarget
629 def show(self, *args):
630 r"""show(SetLogTarget self, _ostream out=std::cout)"""
631 return _IMP_kernel.SetLogTarget_show(self, *args)
635 def __exit__(self, exc_type, exc_val, exc_tb):
641 r"""__str__(SetLogTarget self) -> std::string"""
642 return _IMP_kernel.SetLogTarget___str__(self)
645 r"""__repr__(SetLogTarget self) -> std::string"""
646 return _IMP_kernel.SetLogTarget___repr__(self)
649 _IMP_kernel.SetLogTarget_swigregister(SetLogTarget)
652 r"""create_temporary_file(std::string prefix="imp_temp", std::string suffix="") -> TextOutput"""
653 return _IMP_kernel.create_temporary_file(*args)
656 r"""create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="") -> std::string"""
657 return _IMP_kernel.create_temporary_file_name(*args)
660 r"""get_relative_path(std::string base, std::string relative) -> std::string"""
661 return _IMP_kernel.get_relative_path(base, relative)
664 r"""get_absolute_path(std::string file) -> std::string"""
665 return _IMP_kernel.get_absolute_path(file)
667 def push_log_context(functionname, object):
668 r"""push_log_context(char const * functionname, void const * object)"""
669 return _IMP_kernel.push_log_context(functionname, object)
671 def pop_log_context():
672 r"""pop_log_context()"""
673 return _IMP_kernel.pop_log_context()
677 add_to_log(std::string to_write)
678 add_to_log(IMP::LogLevel level, std::string to_write)
680 return _IMP_kernel.add_to_log(*args)
683 r"""set_log_level(IMP::LogLevel l)"""
684 return _IMP_kernel.set_log_level(l)
687 r"""set_log_timer(bool tb)"""
688 return _IMP_kernel.set_log_timer(tb)
691 r"""reset_log_timer()"""
692 return _IMP_kernel.reset_log_timer()
695 r"""get_log_level() -> IMP::LogLevel"""
696 return _IMP_kernel.get_log_level()
699 r"""set_progress_display(std::string description, unsigned int steps)"""
700 return _IMP_kernel.set_progress_display(description, steps)
703 r"""add_to_progress_display(unsigned int step=1)"""
704 return _IMP_kernel.add_to_progress_display(step)
705 class Object(_NonCopyable):
706 r"""Proxy of C++ IMP::Object class."""
708 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
710 def __init__(self, name):
711 r"""__init__(Object self, std::string name) -> Object"""
712 if self.__class__ == Object:
716 _IMP_kernel.Object_swiginit(self, _IMP_kernel.new_Object(_self, name))
718 if self.__class__ != Object:
719 _director_objects.register(self)
723 __swig_destroy__ = _IMP_kernel.delete_Object
726 r"""__hash__(Object self) -> std::size_t"""
727 return _IMP_kernel.Object___hash__(self)
730 r"""set_log_level(Object self, IMP::LogLevel l)"""
731 return _IMP_kernel.Object_set_log_level(self, l)
734 r"""set_check_level(Object self, IMP::CheckLevel l)"""
735 return _IMP_kernel.Object_set_check_level(self, l)
738 r"""get_log_level(Object self) -> IMP::LogLevel"""
739 return _IMP_kernel.Object_get_log_level(self)
742 r"""get_check_level(Object self) -> IMP::CheckLevel"""
743 return _IMP_kernel.Object_get_check_level(self)
745 def get_version_info(self):
746 r"""get_version_info(Object self) -> VersionInfo"""
747 val = _IMP_kernel.Object_get_version_info(self)
748 if val.get_module() ==
'none':
755 r"""get_name(Object self) -> std::string const &"""
756 return _IMP_kernel.Object_get_name(self)
758 def set_name(self, name):
759 r"""set_name(Object self, std::string name)"""
760 return _IMP_kernel.Object_set_name(self, name)
762 def get_type_name(self):
763 r"""get_type_name(Object self) -> std::string"""
764 val = _IMP_kernel.Object_get_type_name(self)
765 if val ==
'unknown object type':
766 val = self.__class__.__name__
769 def set_was_used(self, tf):
770 r"""set_was_used(Object self, bool tf)"""
771 return _IMP_kernel.Object_set_was_used(self, tf)
773 def show(self, *args):
774 r"""show(Object self, _ostream out=std::cout)"""
775 return _IMP_kernel.Object_show(self, *args)
777 def get_string(self):
778 r"""get_string(Object self) -> std::string"""
779 return _IMP_kernel.Object_get_string(self)
781 def _on_destruction(self):
782 r"""_on_destruction(Object self)"""
783 return _IMP_kernel.Object__on_destruction(self)
785 def get_is_valid(self):
786 r"""get_is_valid(Object self) -> bool"""
787 return _IMP_kernel.Object_get_is_valid(self)
789 def get_ref_count(self):
790 r"""get_ref_count(Object self) -> unsigned int"""
791 return _IMP_kernel.Object_get_ref_count(self)
794 def get_number_of_live_objects():
795 r"""get_number_of_live_objects() -> unsigned int"""
796 return _IMP_kernel.Object_get_number_of_live_objects()
798 def get_is_shared(self):
799 r"""get_is_shared(Object self) -> bool"""
800 return _IMP_kernel.Object_get_is_shared(self)
802 def clear_caches(self):
803 r"""clear_caches(Object self)"""
804 return _IMP_kernel.Object_clear_caches(self)
806 def do_destroy(self):
807 r"""do_destroy(Object self)"""
808 return _IMP_kernel.Object_do_destroy(self)
810 def __getstate__(self):
811 raise NotImplementedError(str(self.__class__)
812 +
" does not support serialization")
816 r"""__eq__(Object self, Object o) -> bool"""
817 return _IMP_kernel.Object___eq__(self, o)
820 r"""__ne__(Object self, Object o) -> bool"""
821 return _IMP_kernel.Object___ne__(self, o)
824 r"""__le__(Object self, Object o) -> bool"""
825 return _IMP_kernel.Object___le__(self, o)
828 r"""__lt__(Object self, Object o) -> bool"""
829 return _IMP_kernel.Object___lt__(self, o)
832 r"""__ge__(Object self, Object o) -> bool"""
833 return _IMP_kernel.Object___ge__(self, o)
836 r"""__gt__(Object self, Object o) -> bool"""
837 return _IMP_kernel.Object___gt__(self, o)
839 def _get_director_object(self):
840 r"""_get_director_object(Object self) -> PyObject *"""
841 return _IMP_kernel.Object__get_director_object(self)
844 """Return this object cast to the most derived subclass."""
846 pyobj = self._get_director_object()
847 if pyobj
is not None:
851 modname = self.get_version_info().get_module().replace(
'::',
'.')
852 type_name = self.get_type_name()
855 if modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
857 type_name =
'RestraintsScoringFunction'
858 elif (modname ==
'IMP.core'
859 and type_name ==
'GenericBoundingBox3DSingletonScore'):
860 type_name =
'BoundingBox3DSingletonScore'
861 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
865 modobj = sys.modules[modname]
866 clsobj = getattr(modobj, type_name)
867 return clsobj.get_from(self)
871 r"""__str__(Object self) -> std::string"""
872 return _IMP_kernel.Object___str__(self)
875 r"""__repr__(Object self) -> std::string"""
876 return _IMP_kernel.Object___repr__(self)
880 return _object_cast_to_Object(o)
882 def __disown__(self):
884 _IMP_kernel.disown_Object(self)
885 return weakref.proxy(self)
888 _IMP_kernel.Object_swigregister(Object)
889 class SetLogState(_RAII):
890 r"""Proxy of C++ IMP::SetLogState class."""
892 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
895 r"""reset(SetLogState self)"""
896 return _IMP_kernel.SetLogState_reset(self)
897 __swig_destroy__ = _IMP_kernel.delete_SetLogState
899 def show(self, *args):
900 r"""show(SetLogState self, _ostream out=std::cout)"""
901 return _IMP_kernel.SetLogState_show(self, *args)
903 def __init__(self, *args):
905 __init__(SetLogState self) -> SetLogState
906 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
907 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
909 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
911 def set(self, *args):
913 set(SetLogState self, Object o, IMP::LogLevel l)
914 set(SetLogState self, IMP::LogLevel l)
916 return _IMP_kernel.SetLogState_set(self, *args)
920 def __exit__(self, exc_type, exc_val, exc_tb):
926 r"""__str__(SetLogState self) -> std::string"""
927 return _IMP_kernel.SetLogState___str__(self)
930 r"""__repr__(SetLogState self) -> std::string"""
931 return _IMP_kernel.SetLogState___repr__(self)
934 _IMP_kernel.SetLogState_swigregister(SetLogState)
935 class WarningContext(object):
936 r"""Proxy of C++ IMP::WarningContext class."""
938 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
939 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
941 def add_warning(self, key, warning):
942 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
943 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
945 def clear_warnings(self):
946 r"""clear_warnings(WarningContext self)"""
947 return _IMP_kernel.WarningContext_clear_warnings(self)
949 def dump_warnings(self):
950 r"""dump_warnings(WarningContext self)"""
951 return _IMP_kernel.WarningContext_dump_warnings(self)
952 __swig_destroy__ = _IMP_kernel.delete_WarningContext
954 def show(self, *args):
955 r"""show(WarningContext self, _ostream out=std::cout)"""
956 return _IMP_kernel.WarningContext_show(self, *args)
960 def __exit__(self, exc_type, exc_val, exc_tb):
966 r"""__str__(WarningContext self) -> std::string"""
967 return _IMP_kernel.WarningContext___str__(self)
970 r"""__repr__(WarningContext self) -> std::string"""
971 return _IMP_kernel.WarningContext___repr__(self)
974 r"""__init__(WarningContext self) -> WarningContext"""
975 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
978 _IMP_kernel.WarningContext_swigregister(WarningContext)
979 class CreateLogContext(_RAII):
980 r"""Proxy of C++ IMP::CreateLogContext class."""
982 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
984 def __init__(self, *args):
986 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
987 __init__(CreateLogContext self) -> CreateLogContext
988 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
990 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
992 def set(self, fname, object=None):
993 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
994 return _IMP_kernel.CreateLogContext_set(self, fname, object)
997 r"""reset(CreateLogContext self)"""
998 return _IMP_kernel.CreateLogContext_reset(self)
999 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1001 def show(self, *args):
1002 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1003 return _IMP_kernel.CreateLogContext_show(self, *args)
1005 def __enter__(self):
1007 def __exit__(self, exc_type, exc_val, exc_tb):
1013 r"""__str__(CreateLogContext self) -> std::string"""
1014 return _IMP_kernel.CreateLogContext___str__(self)
1017 r"""__repr__(CreateLogContext self) -> std::string"""
1018 return _IMP_kernel.CreateLogContext___repr__(self)
1021 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1022 class SetCheckState(_RAII):
1023 r"""Proxy of C++ IMP::SetCheckState class."""
1025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1028 r"""reset(SetCheckState self)"""
1029 return _IMP_kernel.SetCheckState_reset(self)
1030 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1032 def show(self, *args):
1033 r"""show(SetCheckState self, _ostream out=std::cout)"""
1034 return _IMP_kernel.SetCheckState_show(self, *args)
1036 def __init__(self, *args):
1038 __init__(SetCheckState self) -> SetCheckState
1039 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1040 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1042 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1044 def set(self, *args):
1046 set(SetCheckState self, Object o, IMP::CheckLevel l)
1047 set(SetCheckState self, IMP::CheckLevel l)
1049 return _IMP_kernel.SetCheckState_set(self, *args)
1051 def __enter__(self):
1053 def __exit__(self, exc_type, exc_val, exc_tb):
1059 r"""__str__(SetCheckState self) -> std::string"""
1060 return _IMP_kernel.SetCheckState___str__(self)
1063 r"""__repr__(SetCheckState self) -> std::string"""
1064 return _IMP_kernel.SetCheckState___repr__(self)
1067 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1070 r"""get_unique_name(std::string templ) -> std::string"""
1071 return _IMP_kernel.get_unique_name(templ)
1074 r"""get_copyright() -> std::string"""
1075 return _IMP_kernel.get_copyright()
1076 class _Protection(object):
1077 r"""Proxy of C++ IMP::internal::_Protection class."""
1079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1081 def __init__(self, *args, **kwargs):
1082 raise AttributeError(
"No constructor defined")
1084 def show(self, *args):
1085 r"""show(_Protection self, _ostream out=std::cout)"""
1086 return _IMP_kernel._Protection_show(self, *args)
1089 r"""__str__(_Protection self) -> std::string"""
1090 return _IMP_kernel._Protection___str__(self)
1093 r"""__repr__(_Protection self) -> std::string"""
1094 return _IMP_kernel._Protection___repr__(self)
1095 __swig_destroy__ = _IMP_kernel.delete__Protection
1098 _IMP_kernel._Protection_swigregister(_Protection)
1102 return _IMP_kernel._test_log()
1104 def _test_intranges(ips):
1105 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1106 return _IMP_kernel._test_intranges(ips)
1108 def _test_intrange(*args):
1110 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1111 _test_intrange() -> IMP::IntRange
1113 return _IMP_kernel._test_intrange(*args)
1116 r"""_test_ifile(TextInput a) -> std::string"""
1117 return _IMP_kernel._test_ifile(a)
1120 r"""_test_ofile(TextOutput a) -> std::string"""
1121 return _IMP_kernel._test_ofile(a)
1123 def _test_ifile_overloaded(*args):
1125 _test_ifile_overloaded(TextInput a, int i) -> std::string
1126 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1128 return _IMP_kernel._test_ifile_overloaded(*args)
1130 def _test_ofile_overloaded(*args):
1132 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1133 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1135 return _IMP_kernel._test_ofile_overloaded(*args)
1136 class _TestValue(object):
1137 r"""Proxy of C++ IMP::internal::_TestValue class."""
1139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1141 def __init__(self, i):
1142 r"""__init__(_TestValue self, int i) -> _TestValue"""
1143 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1145 def show(self, *args):
1146 r"""show(_TestValue self, _ostream out=std::cout)"""
1147 return _IMP_kernel._TestValue_show(self, *args)
1149 def __cmp__(self, o):
1150 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1151 return _IMP_kernel._TestValue___cmp__(self, o)
1153 def __eq__(self, o):
1154 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1155 return _IMP_kernel._TestValue___eq__(self, o)
1157 def __ne__(self, o):
1158 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1159 return _IMP_kernel._TestValue___ne__(self, o)
1161 def __lt__(self, o):
1162 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1163 return _IMP_kernel._TestValue___lt__(self, o)
1165 def __gt__(self, o):
1166 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1167 return _IMP_kernel._TestValue___gt__(self, o)
1169 def __ge__(self, o):
1170 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1171 return _IMP_kernel._TestValue___ge__(self, o)
1173 def __le__(self, o):
1174 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1175 return _IMP_kernel._TestValue___le__(self, o)
1178 r"""get(_TestValue self) -> int"""
1179 return _IMP_kernel._TestValue_get(self)
1181 def get_float(self):
1182 r"""get_float(_TestValue self) -> float const &"""
1183 return _IMP_kernel._TestValue_get_float(self)
1185 def get_double(self):
1186 r"""get_double(_TestValue self) -> double const &"""
1187 return _IMP_kernel._TestValue_get_double(self)
1189 def get_Float(self):
1190 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1191 return _IMP_kernel._TestValue_get_Float(self)
1194 r"""get_int(_TestValue self) -> int const &"""
1195 return _IMP_kernel._TestValue_get_int(self)
1198 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1199 return _IMP_kernel._TestValue_get_Int(self)
1201 def get_string(self):
1202 r"""get_string(_TestValue self) -> std::string const &"""
1203 return _IMP_kernel._TestValue_get_string(self)
1205 def get_String(self):
1206 r"""get_String(_TestValue self) -> IMP::String const &"""
1207 return _IMP_kernel._TestValue_get_String(self)
1210 r"""__str__(_TestValue self) -> std::string"""
1211 return _IMP_kernel._TestValue___str__(self)
1214 r"""__repr__(_TestValue self) -> std::string"""
1215 return _IMP_kernel._TestValue___repr__(self)
1216 __swig_destroy__ = _IMP_kernel.delete__TestValue
1219 _IMP_kernel._TestValue_swigregister(_TestValue)
1221 def _pass_plain_pair(p):
1222 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1223 return _IMP_kernel._pass_plain_pair(p)
1225 def _pass_overloaded_strings(*args):
1227 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1228 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1230 return _IMP_kernel._pass_overloaded_strings(*args)
1233 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1234 return _IMP_kernel._pass_pair(p)
1236 def _pass_floats(input):
1237 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1238 return _IMP_kernel._pass_floats(input)
1240 def _pass_ints(input):
1241 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1242 return _IMP_kernel._pass_ints(input)
1244 def _pass_ints_list(input):
1245 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1246 return _IMP_kernel._pass_ints_list(input)
1248 def _pass_ints_lists(input):
1249 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1250 return _IMP_kernel._pass_ints_lists(input)
1252 def _pass_strings(input):
1253 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1254 return _IMP_kernel._pass_strings(input)
1255 class _TestObject(
Object):
1256 r"""Proxy of C++ IMP::internal::_TestObject class."""
1258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1261 r"""__init__(_TestObject self) -> _TestObject"""
1262 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1265 r"""get_version_info(_TestObject self) -> VersionInfo"""
1266 return _IMP_kernel._TestObject_get_version_info(self)
1267 __swig_destroy__ = _IMP_kernel.delete__TestObject
1270 r"""__str__(_TestObject self) -> std::string"""
1271 return _IMP_kernel._TestObject___str__(self)
1274 r"""__repr__(_TestObject self) -> std::string"""
1275 return _IMP_kernel._TestObject___repr__(self)
1279 return _object_cast_to__TestObject(o)
1283 _IMP_kernel._TestObject_swigregister(_TestObject)
1286 r"""get_live_object_names() -> IMP::Strings"""
1287 return _IMP_kernel.get_live_object_names()
1290 r"""get_live_objects() -> IMP::Objects"""
1291 return _IMP_kernel.get_live_objects()
1294 r"""set_show_leaked_objects(bool tf)"""
1295 return _IMP_kernel.set_show_leaked_objects(tf)
1298 r"""set_deprecation_warnings(bool tf)"""
1299 return _IMP_kernel.set_deprecation_warnings(tf)
1302 r"""set_deprecation_exceptions(bool tf)"""
1303 return _IMP_kernel.set_deprecation_exceptions(tf)
1306 r"""get_deprecation_exceptions() -> bool"""
1307 return _IMP_kernel.get_deprecation_exceptions()
1310 r"""handle_use_deprecated(std::string message)"""
1311 return _IMP_kernel.handle_use_deprecated(message)
1314 r"""get_number_of_threads() -> unsigned int"""
1315 return _IMP_kernel.get_number_of_threads()
1318 r"""set_number_of_threads(unsigned int n)"""
1319 return _IMP_kernel.set_number_of_threads(n)
1320 class SetNumberOfThreads(_RAII):
1321 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1325 def __init__(self, *args):
1327 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1328 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1330 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1333 r"""set(SetNumberOfThreads self, unsigned int n)"""
1334 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1337 r"""reset(SetNumberOfThreads self)"""
1338 return _IMP_kernel.SetNumberOfThreads_reset(self)
1339 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1341 def show(self, *args):
1342 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1343 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1345 def __enter__(self):
1347 def __exit__(self, exc_type, exc_val, exc_tb):
1353 r"""__str__(SetNumberOfThreads self) -> std::string"""
1354 return _IMP_kernel.SetNumberOfThreads___str__(self)
1357 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1358 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1361 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1364 i_m_p=
"IMP_MODULE_PATH"
1365 if i_m_p
in os.environ.keys():
1366 __path__.insert(0, os.environ[i_m_p])
1368 def _forward_add_attribute(self, name, value, opt=None):
1370 self.get_particle().add_attribute(name, value, opt)
1372 self.get_particle().add_attribute(name, value)
1373 def _forward_get_value(self, name):
1374 self.get_particle().get_value(name)
1375 def _forward_set_value(self, name, value):
1376 self.get_particle().set_value(name, value)
1382 _object_types.append(
"Constraint")
1385 def _object_cast_to_Constraint(o):
1386 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1387 return _IMP_kernel._object_cast_to_Constraint(o)
1389 _object_types.append(
"Undecorator")
1392 def _object_cast_to_Undecorator(o):
1393 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1394 return _IMP_kernel._object_cast_to_Undecorator(o)
1396 _object_types.append(
"Container")
1399 def _object_cast_to_Container(o):
1400 r"""_object_cast_to_Container(Object o) -> Container"""
1401 return _IMP_kernel._object_cast_to_Container(o)
1403 _object_types.append(
"Optimizer")
1406 def _object_cast_to_Optimizer(o):
1407 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1408 return _IMP_kernel._object_cast_to_Optimizer(o)
1410 _object_types.append(
"AttributeOptimizer")
1413 def _object_cast_to_AttributeOptimizer(o):
1414 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1415 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1417 _object_types.append(
"OptimizerState")
1420 def _object_cast_to_OptimizerState(o):
1421 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1422 return _IMP_kernel._object_cast_to_OptimizerState(o)
1424 _object_types.append(
"PairContainer")
1427 def _object_cast_to_PairContainer(o):
1428 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1429 return _IMP_kernel._object_cast_to_PairContainer(o)
1431 _object_types.append(
"PairModifier")
1434 def _object_cast_to_PairModifier(o):
1435 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1436 return _IMP_kernel._object_cast_to_PairModifier(o)
1438 _object_types.append(
"PairScore")
1441 def _object_cast_to_PairScore(o):
1442 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1443 return _IMP_kernel._object_cast_to_PairScore(o)
1445 _object_types.append(
"QuadContainer")
1448 def _object_cast_to_QuadContainer(o):
1449 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1450 return _IMP_kernel._object_cast_to_QuadContainer(o)
1452 _object_types.append(
"QuadModifier")
1455 def _object_cast_to_QuadModifier(o):
1456 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1457 return _IMP_kernel._object_cast_to_QuadModifier(o)
1459 _object_types.append(
"QuadScore")
1462 def _object_cast_to_QuadScore(o):
1463 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1464 return _IMP_kernel._object_cast_to_QuadScore(o)
1466 _object_types.append(
"Refiner")
1469 def _object_cast_to_Refiner(o):
1470 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1471 return _IMP_kernel._object_cast_to_Refiner(o)
1473 _object_types.append(
"Restraint")
1476 def _object_cast_to_Restraint(o):
1477 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1478 return _IMP_kernel._object_cast_to_Restraint(o)
1480 _object_types.append(
"Sampler")
1483 def _object_cast_to_Sampler(o):
1484 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1485 return _IMP_kernel._object_cast_to_Sampler(o)
1487 _object_types.append(
"ScoreState")
1490 def _object_cast_to_ScoreState(o):
1491 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1492 return _IMP_kernel._object_cast_to_ScoreState(o)
1494 _object_types.append(
"SingletonContainer")
1497 def _object_cast_to_SingletonContainer(o):
1498 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
1499 return _IMP_kernel._object_cast_to_SingletonContainer(o)
1501 _object_types.append(
"SingletonModifier")
1504 def _object_cast_to_SingletonModifier(o):
1505 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
1506 return _IMP_kernel._object_cast_to_SingletonModifier(o)
1508 _object_types.append(
"SingletonScore")
1511 def _object_cast_to_SingletonScore(o):
1512 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
1513 return _IMP_kernel._object_cast_to_SingletonScore(o)
1515 _object_types.append(
"TripletContainer")
1518 def _object_cast_to_TripletContainer(o):
1519 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
1520 return _IMP_kernel._object_cast_to_TripletContainer(o)
1522 _object_types.append(
"TripletModifier")
1525 def _object_cast_to_TripletModifier(o):
1526 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
1527 return _IMP_kernel._object_cast_to_TripletModifier(o)
1529 _object_types.append(
"TripletScore")
1532 def _object_cast_to_TripletScore(o):
1533 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
1534 return _IMP_kernel._object_cast_to_TripletScore(o)
1536 _object_types.append(
"UnaryFunction")
1539 def _object_cast_to_UnaryFunction(o):
1540 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
1541 return _IMP_kernel._object_cast_to_UnaryFunction(o)
1543 _object_types.append(
"RestraintInfo")
1546 def _object_cast_to_RestraintInfo(o):
1547 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
1548 return _IMP_kernel._object_cast_to_RestraintInfo(o)
1550 _object_types.append(
"ConfigurationSet")
1553 def _object_cast_to_ConfigurationSet(o):
1554 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
1555 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
1557 _object_types.append(
"Configuration")
1560 def _object_cast_to_Configuration(o):
1561 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
1562 return _IMP_kernel._object_cast_to_Configuration(o)
1564 _object_types.append(
"Model")
1567 def _object_cast_to_Model(o):
1568 r"""_object_cast_to_Model(Object o) -> Model"""
1569 return _IMP_kernel._object_cast_to_Model(o)
1571 _object_types.append(
"Particle")
1574 def _object_cast_to_Particle(o):
1575 r"""_object_cast_to_Particle(Object o) -> Particle"""
1576 return _IMP_kernel._object_cast_to_Particle(o)
1578 _object_types.append(
"RestraintSet")
1581 def _object_cast_to_RestraintSet(o):
1582 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
1583 return _IMP_kernel._object_cast_to_RestraintSet(o)
1585 ParticlePairsTemp=list
1586 _plural_types.append(
"ParticlePairsTemp")
1587 _value_types.append(
"ParticlePair")
1590 ParticleTripletsTemp=list
1591 _plural_types.append(
"ParticleTripletsTemp")
1592 _value_types.append(
"ParticleTriplet")
1595 ParticleQuadsTemp=list
1596 _plural_types.append(
"ParticleQuadsTemp")
1597 _value_types.append(
"ParticleQuad")
1600 ParticleIndexPairs=list
1601 _plural_types.append(
"ParticleIndexPairs")
1602 _value_types.append(
"ParticleIndexPair")
1605 ParticleIndexTriplets=list
1606 _plural_types.append(
"ParticleIndexTriplets")
1607 _value_types.append(
"ParticleIndexTriplet")
1610 ParticleIndexQuads=list
1611 _plural_types.append(
"ParticleIndexQuads")
1612 _value_types.append(
"ParticleIndexQuad")
1615 _object_types.append(
"SingletonPredicate")
1618 def _object_cast_to_SingletonPredicate(o):
1619 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
1620 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
1622 _object_types.append(
"PairPredicate")
1625 def _object_cast_to_PairPredicate(o):
1626 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
1627 return _IMP_kernel._object_cast_to_PairPredicate(o)
1629 _object_types.append(
"TripletPredicate")
1632 def _object_cast_to_TripletPredicate(o):
1633 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
1634 return _IMP_kernel._object_cast_to_TripletPredicate(o)
1636 _object_types.append(
"QuadPredicate")
1639 def _object_cast_to_QuadPredicate(o):
1640 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
1641 return _IMP_kernel._object_cast_to_QuadPredicate(o)
1643 _object_types.append(
"SaveToConfigurationSetOptimizerState")
1646 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
1647 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
1648 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
1650 EvaluationStates=list
1651 _plural_types.append(
"EvaluationStates")
1652 _value_types.append(
"EvaluationState")
1655 ScoreAccumulators=list
1656 _plural_types.append(
"ScoreAccumulators")
1657 _value_types.append(
"ScoreAccumulator")
1660 ParticleIndexes=list
1661 _plural_types.append(
"ParticleIndexes")
1662 _value_types.append(
"ParticleIndex")
1666 _plural_types.append(
"FloatIndexes")
1667 _value_types.append(
"FloatIndex")
1671 _plural_types.append(
"FloatKeys")
1672 _value_types.append(
"FloatKey")
1676 _plural_types.append(
"FloatsKeys")
1677 _value_types.append(
"FloatsKey")
1681 _plural_types.append(
"IntKeys")
1682 _value_types.append(
"IntKey")
1686 _plural_types.append(
"IntsKeys")
1687 _value_types.append(
"IntsKey")
1691 _plural_types.append(
"StringKeys")
1692 _value_types.append(
"StringKey")
1695 ParticleIndexKeys=list
1696 _plural_types.append(
"ParticleIndexKeys")
1697 _value_types.append(
"ParticleIndexKey")
1700 ParticleIndexesKeys=list
1701 _plural_types.append(
"ParticleIndexesKeys")
1702 _value_types.append(
"ParticleIndexesKey")
1706 _plural_types.append(
"ObjectKeys")
1707 _value_types.append(
"ObjectKey")
1711 _plural_types.append(
"ModelKeys")
1712 _value_types.append(
"ModelKey")
1716 _plural_types.append(
"TriggerKeys")
1717 _value_types.append(
"TriggerKey")
1720 SparseFloatKeys=list
1721 _plural_types.append(
"SparseFloatKeys")
1722 _value_types.append(
"SparseFloatKey")
1726 _plural_types.append(
"SparseIntKeys")
1727 _value_types.append(
"SparseIntKey")
1730 SparseStringKeys=list
1731 _plural_types.append(
"SparseStringKeys")
1732 _value_types.append(
"SparseStringKey")
1735 SparseParticleIndexKeys=list
1736 _plural_types.append(
"SparseParticleIndexKeys")
1737 _value_types.append(
"SparseParticleIndexKey")
1741 _plural_types.append(
"Vector3DKeys")
1742 _value_types.append(
"Vector3DKey")
1745 _raii_types.append(
"ScopedSetFloatAttribute")
1748 _object_types.append(
"ScoringFunction")
1751 def _object_cast_to_ScoringFunction(o):
1752 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
1753 return _IMP_kernel._object_cast_to_ScoringFunction(o)
1755 _object_types.append(
"ModelObject")
1758 def _object_cast_to_ModelObject(o):
1759 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
1760 return _IMP_kernel._object_cast_to_ModelObject(o)
1762 def _TrivialDecorators(l=[]):
1763 return [_TrivialDecorator(x)
for x
in l]
1764 _plural_types.append(
"_TrivialDecorators")
1767 _value_types.append(
"_TrivialDecorator")
1770 def _TrivialDerivedDecorators(l=[]):
1771 return [_TrivialDerivedDecorator(x)
for x
in l]
1772 _plural_types.append(
"_TrivialDerivedDecorators")
1775 _value_types.append(
"_TrivialDerivedDecorator")
1778 def _TrivialTraitsDecorators(l=[]):
1779 return [_TrivialTraitsDecorator(x)
for x
in l]
1780 _plural_types.append(
"_TrivialTraitsDecorators")
1783 _value_types.append(
"_TrivialTraitsDecorator")
1786 _object_types.append(
"_ConstRestraint")
1789 def _object_cast_to__ConstRestraint(o):
1790 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
1791 return _IMP_kernel._object_cast_to__ConstRestraint(o)
1793 _object_types.append(
"_ConstOptimizer")
1796 def _object_cast_to__ConstOptimizer(o):
1797 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
1798 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
1800 _object_types.append(
"_ConstSingletonScore")
1803 def _object_cast_to__ConstSingletonScore(o):
1804 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
1805 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
1807 _object_types.append(
"_ConstPairScore")
1810 def _object_cast_to__ConstPairScore(o):
1811 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
1812 return _IMP_kernel._object_cast_to__ConstPairScore(o)
1814 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
1816 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1817 __repr__ = _swig_repr
1820 r"""__init__(DependencyGraph self) -> DependencyGraph"""
1821 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
1823 def get_graph(self):
1824 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
1825 return _IMP_kernel.DependencyGraph_get_graph(self)
1828 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
1829 return _IMP_kernel.DependencyGraph_get_vertices(self)
1831 def get_vertex_name(self, i):
1832 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
1833 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
1835 def get_in_neighbors(self, v):
1836 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"""
1837 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
1839 def get_out_neighbors(self, v):
1840 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"""
1841 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
1844 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
1845 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
1847 def get_graphviz_string(self):
1848 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
1849 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
1851 def add_edge(self, v0, v1):
1852 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)"""
1853 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
1855 def add_vertex(self, l):
1856 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
1857 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
1859 def remove_vertex(self, l):
1860 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
1861 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
1862 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
1865 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
1867 _value_types.append(
"DependencyGraph")
1870 r"""Proxy of C++ IMP::Key< 0 > class."""
1872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1874 def __init__(self, *args):
1876 __init__(FloatKey self) -> FloatKey
1877 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
1878 __init__(FloatKey self, unsigned int i) -> FloatKey
1880 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
1884 r"""add_key(std::string sc) -> unsigned int"""
1885 return _IMP_kernel.FloatKey_add_key(sc)
1888 def get_key_exists(sc):
1889 r"""get_key_exists(std::string sc) -> bool"""
1890 return _IMP_kernel.FloatKey_get_key_exists(sc)
1892 def get_string(self):
1893 r"""get_string(FloatKey self) -> std::string const"""
1894 return _IMP_kernel.FloatKey_get_string(self)
1896 def __cmp__(self, o):
1897 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
1898 return _IMP_kernel.FloatKey___cmp__(self, o)
1900 def __eq__(self, o):
1901 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
1902 return _IMP_kernel.FloatKey___eq__(self, o)
1904 def __ne__(self, o):
1905 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
1906 return _IMP_kernel.FloatKey___ne__(self, o)
1908 def __lt__(self, o):
1909 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
1910 return _IMP_kernel.FloatKey___lt__(self, o)
1912 def __gt__(self, o):
1913 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
1914 return _IMP_kernel.FloatKey___gt__(self, o)
1916 def __ge__(self, o):
1917 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
1918 return _IMP_kernel.FloatKey___ge__(self, o)
1920 def __le__(self, o):
1921 r"""__le__(FloatKey self, FloatKey o) -> bool"""
1922 return _IMP_kernel.FloatKey___le__(self, o)
1925 r"""__hash__(FloatKey self) -> std::size_t"""
1926 return _IMP_kernel.FloatKey___hash__(self)
1928 def show(self, *args):
1929 r"""show(FloatKey self, _ostream out=std::cout)"""
1930 return _IMP_kernel.FloatKey_show(self, *args)
1933 def add_alias(old_key, new_name):
1934 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
1935 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
1938 def get_number_of_keys():
1939 r"""get_number_of_keys() -> unsigned int"""
1940 return _IMP_kernel.FloatKey_get_number_of_keys()
1943 r"""get_index(FloatKey self) -> unsigned int"""
1944 return _IMP_kernel.FloatKey_get_index(self)
1948 r"""show_all(_ostream out)"""
1949 return _IMP_kernel.FloatKey_show_all(out)
1952 def get_all_strings():
1953 r"""get_all_strings() -> IMP::Vector< std::string >"""
1954 return _IMP_kernel.FloatKey_get_all_strings()
1957 def get_number_unique():
1958 r"""get_number_unique() -> unsigned int"""
1959 return _IMP_kernel.FloatKey_get_number_unique()
1962 r"""__str__(FloatKey self) -> std::string"""
1963 return _IMP_kernel.FloatKey___str__(self)
1966 r"""__repr__(FloatKey self) -> std::string"""
1967 return _IMP_kernel.FloatKey___repr__(self)
1968 __swig_destroy__ = _IMP_kernel.delete_FloatKey
1971 _IMP_kernel.FloatKey_swigregister(FloatKey)
1973 r"""Proxy of C++ IMP::Key< 1 > class."""
1975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1977 def __init__(self, *args):
1979 __init__(IntKey self) -> IntKey
1980 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
1981 __init__(IntKey self, unsigned int i) -> IntKey
1983 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
1987 r"""add_key(std::string sc) -> unsigned int"""
1988 return _IMP_kernel.IntKey_add_key(sc)
1991 def get_key_exists(sc):
1992 r"""get_key_exists(std::string sc) -> bool"""
1993 return _IMP_kernel.IntKey_get_key_exists(sc)
1995 def get_string(self):
1996 r"""get_string(IntKey self) -> std::string const"""
1997 return _IMP_kernel.IntKey_get_string(self)
1999 def __cmp__(self, o):
2000 r"""__cmp__(IntKey self, IntKey o) -> int"""
2001 return _IMP_kernel.IntKey___cmp__(self, o)
2003 def __eq__(self, o):
2004 r"""__eq__(IntKey self, IntKey o) -> bool"""
2005 return _IMP_kernel.IntKey___eq__(self, o)
2007 def __ne__(self, o):
2008 r"""__ne__(IntKey self, IntKey o) -> bool"""
2009 return _IMP_kernel.IntKey___ne__(self, o)
2011 def __lt__(self, o):
2012 r"""__lt__(IntKey self, IntKey o) -> bool"""
2013 return _IMP_kernel.IntKey___lt__(self, o)
2015 def __gt__(self, o):
2016 r"""__gt__(IntKey self, IntKey o) -> bool"""
2017 return _IMP_kernel.IntKey___gt__(self, o)
2019 def __ge__(self, o):
2020 r"""__ge__(IntKey self, IntKey o) -> bool"""
2021 return _IMP_kernel.IntKey___ge__(self, o)
2023 def __le__(self, o):
2024 r"""__le__(IntKey self, IntKey o) -> bool"""
2025 return _IMP_kernel.IntKey___le__(self, o)
2028 r"""__hash__(IntKey self) -> std::size_t"""
2029 return _IMP_kernel.IntKey___hash__(self)
2031 def show(self, *args):
2032 r"""show(IntKey self, _ostream out=std::cout)"""
2033 return _IMP_kernel.IntKey_show(self, *args)
2036 def add_alias(old_key, new_name):
2037 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2038 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2041 def get_number_of_keys():
2042 r"""get_number_of_keys() -> unsigned int"""
2043 return _IMP_kernel.IntKey_get_number_of_keys()
2046 r"""get_index(IntKey self) -> unsigned int"""
2047 return _IMP_kernel.IntKey_get_index(self)
2051 r"""show_all(_ostream out)"""
2052 return _IMP_kernel.IntKey_show_all(out)
2055 def get_all_strings():
2056 r"""get_all_strings() -> IMP::Vector< std::string >"""
2057 return _IMP_kernel.IntKey_get_all_strings()
2060 def get_number_unique():
2061 r"""get_number_unique() -> unsigned int"""
2062 return _IMP_kernel.IntKey_get_number_unique()
2065 r"""__str__(IntKey self) -> std::string"""
2066 return _IMP_kernel.IntKey___str__(self)
2069 r"""__repr__(IntKey self) -> std::string"""
2070 return _IMP_kernel.IntKey___repr__(self)
2071 __swig_destroy__ = _IMP_kernel.delete_IntKey
2074 _IMP_kernel.IntKey_swigregister(IntKey)
2076 r"""Proxy of C++ IMP::Key< 2 > class."""
2078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2080 def __init__(self, *args):
2082 __init__(StringKey self) -> StringKey
2083 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2084 __init__(StringKey self, unsigned int i) -> StringKey
2086 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2090 r"""add_key(std::string sc) -> unsigned int"""
2091 return _IMP_kernel.StringKey_add_key(sc)
2094 def get_key_exists(sc):
2095 r"""get_key_exists(std::string sc) -> bool"""
2096 return _IMP_kernel.StringKey_get_key_exists(sc)
2098 def get_string(self):
2099 r"""get_string(StringKey self) -> std::string const"""
2100 return _IMP_kernel.StringKey_get_string(self)
2102 def __cmp__(self, o):
2103 r"""__cmp__(StringKey self, StringKey o) -> int"""
2104 return _IMP_kernel.StringKey___cmp__(self, o)
2106 def __eq__(self, o):
2107 r"""__eq__(StringKey self, StringKey o) -> bool"""
2108 return _IMP_kernel.StringKey___eq__(self, o)
2110 def __ne__(self, o):
2111 r"""__ne__(StringKey self, StringKey o) -> bool"""
2112 return _IMP_kernel.StringKey___ne__(self, o)
2114 def __lt__(self, o):
2115 r"""__lt__(StringKey self, StringKey o) -> bool"""
2116 return _IMP_kernel.StringKey___lt__(self, o)
2118 def __gt__(self, o):
2119 r"""__gt__(StringKey self, StringKey o) -> bool"""
2120 return _IMP_kernel.StringKey___gt__(self, o)
2122 def __ge__(self, o):
2123 r"""__ge__(StringKey self, StringKey o) -> bool"""
2124 return _IMP_kernel.StringKey___ge__(self, o)
2126 def __le__(self, o):
2127 r"""__le__(StringKey self, StringKey o) -> bool"""
2128 return _IMP_kernel.StringKey___le__(self, o)
2131 r"""__hash__(StringKey self) -> std::size_t"""
2132 return _IMP_kernel.StringKey___hash__(self)
2134 def show(self, *args):
2135 r"""show(StringKey self, _ostream out=std::cout)"""
2136 return _IMP_kernel.StringKey_show(self, *args)
2139 def add_alias(old_key, new_name):
2140 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2141 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2144 def get_number_of_keys():
2145 r"""get_number_of_keys() -> unsigned int"""
2146 return _IMP_kernel.StringKey_get_number_of_keys()
2149 r"""get_index(StringKey self) -> unsigned int"""
2150 return _IMP_kernel.StringKey_get_index(self)
2154 r"""show_all(_ostream out)"""
2155 return _IMP_kernel.StringKey_show_all(out)
2158 def get_all_strings():
2159 r"""get_all_strings() -> IMP::Vector< std::string >"""
2160 return _IMP_kernel.StringKey_get_all_strings()
2163 def get_number_unique():
2164 r"""get_number_unique() -> unsigned int"""
2165 return _IMP_kernel.StringKey_get_number_unique()
2168 r"""__str__(StringKey self) -> std::string"""
2169 return _IMP_kernel.StringKey___str__(self)
2172 r"""__repr__(StringKey self) -> std::string"""
2173 return _IMP_kernel.StringKey___repr__(self)
2174 __swig_destroy__ = _IMP_kernel.delete_StringKey
2177 _IMP_kernel.StringKey_swigregister(StringKey)
2179 r"""Proxy of C++ IMP::Key< 3 > class."""
2181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2183 def __init__(self, *args):
2185 __init__(ParticleIndexKey self) -> ParticleIndexKey
2186 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2187 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2189 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2193 r"""add_key(std::string sc) -> unsigned int"""
2194 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2197 def get_key_exists(sc):
2198 r"""get_key_exists(std::string sc) -> bool"""
2199 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2201 def get_string(self):
2202 r"""get_string(ParticleIndexKey self) -> std::string const"""
2203 return _IMP_kernel.ParticleIndexKey_get_string(self)
2205 def __cmp__(self, o):
2206 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2207 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2209 def __eq__(self, o):
2210 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2211 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2213 def __ne__(self, o):
2214 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2215 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2217 def __lt__(self, o):
2218 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2219 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2221 def __gt__(self, o):
2222 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2223 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2225 def __ge__(self, o):
2226 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2227 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2229 def __le__(self, o):
2230 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2231 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2234 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2235 return _IMP_kernel.ParticleIndexKey___hash__(self)
2237 def show(self, *args):
2238 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2239 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2242 def add_alias(old_key, new_name):
2243 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2244 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2247 def get_number_of_keys():
2248 r"""get_number_of_keys() -> unsigned int"""
2249 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2252 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2253 return _IMP_kernel.ParticleIndexKey_get_index(self)
2257 r"""show_all(_ostream out)"""
2258 return _IMP_kernel.ParticleIndexKey_show_all(out)
2261 def get_all_strings():
2262 r"""get_all_strings() -> IMP::Vector< std::string >"""
2263 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2266 def get_number_unique():
2267 r"""get_number_unique() -> unsigned int"""
2268 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2271 r"""__str__(ParticleIndexKey self) -> std::string"""
2272 return _IMP_kernel.ParticleIndexKey___str__(self)
2275 r"""__repr__(ParticleIndexKey self) -> std::string"""
2276 return _IMP_kernel.ParticleIndexKey___repr__(self)
2277 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2280 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2282 r"""Proxy of C++ IMP::Key< 4 > class."""
2284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2286 def __init__(self, *args):
2288 __init__(ObjectKey self) -> ObjectKey
2289 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2290 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2292 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2296 r"""add_key(std::string sc) -> unsigned int"""
2297 return _IMP_kernel.ObjectKey_add_key(sc)
2300 def get_key_exists(sc):
2301 r"""get_key_exists(std::string sc) -> bool"""
2302 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2304 def get_string(self):
2305 r"""get_string(ObjectKey self) -> std::string const"""
2306 return _IMP_kernel.ObjectKey_get_string(self)
2308 def __cmp__(self, o):
2309 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2310 return _IMP_kernel.ObjectKey___cmp__(self, o)
2312 def __eq__(self, o):
2313 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2314 return _IMP_kernel.ObjectKey___eq__(self, o)
2316 def __ne__(self, o):
2317 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2318 return _IMP_kernel.ObjectKey___ne__(self, o)
2320 def __lt__(self, o):
2321 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2322 return _IMP_kernel.ObjectKey___lt__(self, o)
2324 def __gt__(self, o):
2325 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2326 return _IMP_kernel.ObjectKey___gt__(self, o)
2328 def __ge__(self, o):
2329 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2330 return _IMP_kernel.ObjectKey___ge__(self, o)
2332 def __le__(self, o):
2333 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2334 return _IMP_kernel.ObjectKey___le__(self, o)
2337 r"""__hash__(ObjectKey self) -> std::size_t"""
2338 return _IMP_kernel.ObjectKey___hash__(self)
2340 def show(self, *args):
2341 r"""show(ObjectKey self, _ostream out=std::cout)"""
2342 return _IMP_kernel.ObjectKey_show(self, *args)
2345 def add_alias(old_key, new_name):
2346 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2347 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2350 def get_number_of_keys():
2351 r"""get_number_of_keys() -> unsigned int"""
2352 return _IMP_kernel.ObjectKey_get_number_of_keys()
2355 r"""get_index(ObjectKey self) -> unsigned int"""
2356 return _IMP_kernel.ObjectKey_get_index(self)
2360 r"""show_all(_ostream out)"""
2361 return _IMP_kernel.ObjectKey_show_all(out)
2364 def get_all_strings():
2365 r"""get_all_strings() -> IMP::Vector< std::string >"""
2366 return _IMP_kernel.ObjectKey_get_all_strings()
2369 def get_number_unique():
2370 r"""get_number_unique() -> unsigned int"""
2371 return _IMP_kernel.ObjectKey_get_number_unique()
2374 r"""__str__(ObjectKey self) -> std::string"""
2375 return _IMP_kernel.ObjectKey___str__(self)
2378 r"""__repr__(ObjectKey self) -> std::string"""
2379 return _IMP_kernel.ObjectKey___repr__(self)
2380 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2383 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2385 r"""Proxy of C++ IMP::Key< 5 > class."""
2387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2389 def __init__(self, *args):
2391 __init__(IntsKey self) -> IntsKey
2392 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2393 __init__(IntsKey self, unsigned int i) -> IntsKey
2395 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2399 r"""add_key(std::string sc) -> unsigned int"""
2400 return _IMP_kernel.IntsKey_add_key(sc)
2403 def get_key_exists(sc):
2404 r"""get_key_exists(std::string sc) -> bool"""
2405 return _IMP_kernel.IntsKey_get_key_exists(sc)
2407 def get_string(self):
2408 r"""get_string(IntsKey self) -> std::string const"""
2409 return _IMP_kernel.IntsKey_get_string(self)
2411 def __cmp__(self, o):
2412 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2413 return _IMP_kernel.IntsKey___cmp__(self, o)
2415 def __eq__(self, o):
2416 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2417 return _IMP_kernel.IntsKey___eq__(self, o)
2419 def __ne__(self, o):
2420 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2421 return _IMP_kernel.IntsKey___ne__(self, o)
2423 def __lt__(self, o):
2424 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2425 return _IMP_kernel.IntsKey___lt__(self, o)
2427 def __gt__(self, o):
2428 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2429 return _IMP_kernel.IntsKey___gt__(self, o)
2431 def __ge__(self, o):
2432 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2433 return _IMP_kernel.IntsKey___ge__(self, o)
2435 def __le__(self, o):
2436 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2437 return _IMP_kernel.IntsKey___le__(self, o)
2440 r"""__hash__(IntsKey self) -> std::size_t"""
2441 return _IMP_kernel.IntsKey___hash__(self)
2443 def show(self, *args):
2444 r"""show(IntsKey self, _ostream out=std::cout)"""
2445 return _IMP_kernel.IntsKey_show(self, *args)
2448 def add_alias(old_key, new_name):
2449 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2450 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2453 def get_number_of_keys():
2454 r"""get_number_of_keys() -> unsigned int"""
2455 return _IMP_kernel.IntsKey_get_number_of_keys()
2458 r"""get_index(IntsKey self) -> unsigned int"""
2459 return _IMP_kernel.IntsKey_get_index(self)
2463 r"""show_all(_ostream out)"""
2464 return _IMP_kernel.IntsKey_show_all(out)
2467 def get_all_strings():
2468 r"""get_all_strings() -> IMP::Vector< std::string >"""
2469 return _IMP_kernel.IntsKey_get_all_strings()
2472 def get_number_unique():
2473 r"""get_number_unique() -> unsigned int"""
2474 return _IMP_kernel.IntsKey_get_number_unique()
2477 r"""__str__(IntsKey self) -> std::string"""
2478 return _IMP_kernel.IntsKey___str__(self)
2481 r"""__repr__(IntsKey self) -> std::string"""
2482 return _IMP_kernel.IntsKey___repr__(self)
2483 __swig_destroy__ = _IMP_kernel.delete_IntsKey
2486 _IMP_kernel.IntsKey_swigregister(IntsKey)
2488 r"""Proxy of C++ IMP::Key< 6 > class."""
2490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2492 def __init__(self, *args):
2494 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
2495 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
2496 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
2498 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
2502 r"""add_key(std::string sc) -> unsigned int"""
2503 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
2506 def get_key_exists(sc):
2507 r"""get_key_exists(std::string sc) -> bool"""
2508 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
2510 def get_string(self):
2511 r"""get_string(ParticleIndexesKey self) -> std::string const"""
2512 return _IMP_kernel.ParticleIndexesKey_get_string(self)
2514 def __cmp__(self, o):
2515 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
2516 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
2518 def __eq__(self, o):
2519 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2520 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
2522 def __ne__(self, o):
2523 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2524 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
2526 def __lt__(self, o):
2527 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2528 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
2530 def __gt__(self, o):
2531 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2532 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
2534 def __ge__(self, o):
2535 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2536 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
2538 def __le__(self, o):
2539 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2540 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
2543 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
2544 return _IMP_kernel.ParticleIndexesKey___hash__(self)
2546 def show(self, *args):
2547 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
2548 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
2551 def add_alias(old_key, new_name):
2552 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
2553 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
2556 def get_number_of_keys():
2557 r"""get_number_of_keys() -> unsigned int"""
2558 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
2561 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
2562 return _IMP_kernel.ParticleIndexesKey_get_index(self)
2566 r"""show_all(_ostream out)"""
2567 return _IMP_kernel.ParticleIndexesKey_show_all(out)
2570 def get_all_strings():
2571 r"""get_all_strings() -> IMP::Vector< std::string >"""
2572 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
2575 def get_number_unique():
2576 r"""get_number_unique() -> unsigned int"""
2577 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
2580 r"""__str__(ParticleIndexesKey self) -> std::string"""
2581 return _IMP_kernel.ParticleIndexesKey___str__(self)
2584 r"""__repr__(ParticleIndexesKey self) -> std::string"""
2585 return _IMP_kernel.ParticleIndexesKey___repr__(self)
2586 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
2589 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
2591 r"""Proxy of C++ IMP::Key< 8 > class."""
2593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2595 def __init__(self, *args):
2597 __init__(ModelKey self) -> ModelKey
2598 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
2599 __init__(ModelKey self, unsigned int i) -> ModelKey
2601 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
2605 r"""add_key(std::string sc) -> unsigned int"""
2606 return _IMP_kernel.ModelKey_add_key(sc)
2609 def get_key_exists(sc):
2610 r"""get_key_exists(std::string sc) -> bool"""
2611 return _IMP_kernel.ModelKey_get_key_exists(sc)
2613 def get_string(self):
2614 r"""get_string(ModelKey self) -> std::string const"""
2615 return _IMP_kernel.ModelKey_get_string(self)
2617 def __cmp__(self, o):
2618 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
2619 return _IMP_kernel.ModelKey___cmp__(self, o)
2621 def __eq__(self, o):
2622 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
2623 return _IMP_kernel.ModelKey___eq__(self, o)
2625 def __ne__(self, o):
2626 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
2627 return _IMP_kernel.ModelKey___ne__(self, o)
2629 def __lt__(self, o):
2630 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
2631 return _IMP_kernel.ModelKey___lt__(self, o)
2633 def __gt__(self, o):
2634 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
2635 return _IMP_kernel.ModelKey___gt__(self, o)
2637 def __ge__(self, o):
2638 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
2639 return _IMP_kernel.ModelKey___ge__(self, o)
2641 def __le__(self, o):
2642 r"""__le__(ModelKey self, ModelKey o) -> bool"""
2643 return _IMP_kernel.ModelKey___le__(self, o)
2646 r"""__hash__(ModelKey self) -> std::size_t"""
2647 return _IMP_kernel.ModelKey___hash__(self)
2649 def show(self, *args):
2650 r"""show(ModelKey self, _ostream out=std::cout)"""
2651 return _IMP_kernel.ModelKey_show(self, *args)
2654 def add_alias(old_key, new_name):
2655 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
2656 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
2659 def get_number_of_keys():
2660 r"""get_number_of_keys() -> unsigned int"""
2661 return _IMP_kernel.ModelKey_get_number_of_keys()
2664 r"""get_index(ModelKey self) -> unsigned int"""
2665 return _IMP_kernel.ModelKey_get_index(self)
2669 r"""show_all(_ostream out)"""
2670 return _IMP_kernel.ModelKey_show_all(out)
2673 def get_all_strings():
2674 r"""get_all_strings() -> IMP::Vector< std::string >"""
2675 return _IMP_kernel.ModelKey_get_all_strings()
2678 def get_number_unique():
2679 r"""get_number_unique() -> unsigned int"""
2680 return _IMP_kernel.ModelKey_get_number_unique()
2683 r"""__str__(ModelKey self) -> std::string"""
2684 return _IMP_kernel.ModelKey___str__(self)
2687 r"""__repr__(ModelKey self) -> std::string"""
2688 return _IMP_kernel.ModelKey___repr__(self)
2689 __swig_destroy__ = _IMP_kernel.delete_ModelKey
2692 _IMP_kernel.ModelKey_swigregister(ModelKey)
2694 r"""Proxy of C++ IMP::Key< 11 > class."""
2696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2698 def __init__(self, *args):
2700 __init__(TriggerKey self) -> TriggerKey
2701 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
2702 __init__(TriggerKey self, unsigned int i) -> TriggerKey
2704 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
2708 r"""add_key(std::string sc) -> unsigned int"""
2709 return _IMP_kernel.TriggerKey_add_key(sc)
2712 def get_key_exists(sc):
2713 r"""get_key_exists(std::string sc) -> bool"""
2714 return _IMP_kernel.TriggerKey_get_key_exists(sc)
2716 def get_string(self):
2717 r"""get_string(TriggerKey self) -> std::string const"""
2718 return _IMP_kernel.TriggerKey_get_string(self)
2720 def __cmp__(self, o):
2721 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
2722 return _IMP_kernel.TriggerKey___cmp__(self, o)
2724 def __eq__(self, o):
2725 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
2726 return _IMP_kernel.TriggerKey___eq__(self, o)
2728 def __ne__(self, o):
2729 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
2730 return _IMP_kernel.TriggerKey___ne__(self, o)
2732 def __lt__(self, o):
2733 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
2734 return _IMP_kernel.TriggerKey___lt__(self, o)
2736 def __gt__(self, o):
2737 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
2738 return _IMP_kernel.TriggerKey___gt__(self, o)
2740 def __ge__(self, o):
2741 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
2742 return _IMP_kernel.TriggerKey___ge__(self, o)
2744 def __le__(self, o):
2745 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
2746 return _IMP_kernel.TriggerKey___le__(self, o)
2749 r"""__hash__(TriggerKey self) -> std::size_t"""
2750 return _IMP_kernel.TriggerKey___hash__(self)
2752 def show(self, *args):
2753 r"""show(TriggerKey self, _ostream out=std::cout)"""
2754 return _IMP_kernel.TriggerKey_show(self, *args)
2757 def add_alias(old_key, new_name):
2758 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
2759 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
2762 def get_number_of_keys():
2763 r"""get_number_of_keys() -> unsigned int"""
2764 return _IMP_kernel.TriggerKey_get_number_of_keys()
2767 r"""get_index(TriggerKey self) -> unsigned int"""
2768 return _IMP_kernel.TriggerKey_get_index(self)
2772 r"""show_all(_ostream out)"""
2773 return _IMP_kernel.TriggerKey_show_all(out)
2776 def get_all_strings():
2777 r"""get_all_strings() -> IMP::Vector< std::string >"""
2778 return _IMP_kernel.TriggerKey_get_all_strings()
2781 def get_number_unique():
2782 r"""get_number_unique() -> unsigned int"""
2783 return _IMP_kernel.TriggerKey_get_number_unique()
2786 r"""__str__(TriggerKey self) -> std::string"""
2787 return _IMP_kernel.TriggerKey___str__(self)
2790 r"""__repr__(TriggerKey self) -> std::string"""
2791 return _IMP_kernel.TriggerKey___repr__(self)
2792 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
2795 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
2797 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
2799 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2801 def __init__(self, *args):
2803 __init__(ParticleIndex self, int i) -> ParticleIndex
2804 __init__(ParticleIndex self) -> ParticleIndex
2806 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
2809 r"""get_index(ParticleIndex self) -> int"""
2810 return _IMP_kernel.ParticleIndex_get_index(self)
2812 def __cmp__(self, o):
2813 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
2814 return _IMP_kernel.ParticleIndex___cmp__(self, o)
2816 def __eq__(self, o):
2817 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
2818 return _IMP_kernel.ParticleIndex___eq__(self, o)
2820 def __ne__(self, o):
2821 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
2822 return _IMP_kernel.ParticleIndex___ne__(self, o)
2824 def __lt__(self, o):
2825 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
2826 return _IMP_kernel.ParticleIndex___lt__(self, o)
2828 def __gt__(self, o):
2829 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
2830 return _IMP_kernel.ParticleIndex___gt__(self, o)
2832 def __ge__(self, o):
2833 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
2834 return _IMP_kernel.ParticleIndex___ge__(self, o)
2836 def __le__(self, o):
2837 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
2838 return _IMP_kernel.ParticleIndex___le__(self, o)
2840 def show(self, *args):
2841 r"""show(ParticleIndex self, _ostream out=std::cout)"""
2842 return _IMP_kernel.ParticleIndex_show(self, *args)
2845 r"""__hash__(ParticleIndex self) -> std::size_t"""
2846 return _IMP_kernel.ParticleIndex___hash__(self)
2849 r"""__str__(ParticleIndex self) -> std::string"""
2850 return _IMP_kernel.ParticleIndex___str__(self)
2853 r"""__repr__(ParticleIndex self) -> std::string"""
2854 return _IMP_kernel.ParticleIndex___repr__(self)
2855 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
2858 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
2860 r"""Proxy of C++ IMP::Key< 10 > class."""
2862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2864 def __init__(self, *args):
2866 __init__(FloatsKey self) -> FloatsKey
2867 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
2868 __init__(FloatsKey self, unsigned int i) -> FloatsKey
2870 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
2874 r"""add_key(std::string sc) -> unsigned int"""
2875 return _IMP_kernel.FloatsKey_add_key(sc)
2878 def get_key_exists(sc):
2879 r"""get_key_exists(std::string sc) -> bool"""
2880 return _IMP_kernel.FloatsKey_get_key_exists(sc)
2882 def get_string(self):
2883 r"""get_string(FloatsKey self) -> std::string const"""
2884 return _IMP_kernel.FloatsKey_get_string(self)
2886 def __cmp__(self, o):
2887 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
2888 return _IMP_kernel.FloatsKey___cmp__(self, o)
2890 def __eq__(self, o):
2891 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
2892 return _IMP_kernel.FloatsKey___eq__(self, o)
2894 def __ne__(self, o):
2895 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
2896 return _IMP_kernel.FloatsKey___ne__(self, o)
2898 def __lt__(self, o):
2899 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
2900 return _IMP_kernel.FloatsKey___lt__(self, o)
2902 def __gt__(self, o):
2903 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
2904 return _IMP_kernel.FloatsKey___gt__(self, o)
2906 def __ge__(self, o):
2907 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
2908 return _IMP_kernel.FloatsKey___ge__(self, o)
2910 def __le__(self, o):
2911 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
2912 return _IMP_kernel.FloatsKey___le__(self, o)
2915 r"""__hash__(FloatsKey self) -> std::size_t"""
2916 return _IMP_kernel.FloatsKey___hash__(self)
2918 def show(self, *args):
2919 r"""show(FloatsKey self, _ostream out=std::cout)"""
2920 return _IMP_kernel.FloatsKey_show(self, *args)
2923 def add_alias(old_key, new_name):
2924 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
2925 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
2928 def get_number_of_keys():
2929 r"""get_number_of_keys() -> unsigned int"""
2930 return _IMP_kernel.FloatsKey_get_number_of_keys()
2933 r"""get_index(FloatsKey self) -> unsigned int"""
2934 return _IMP_kernel.FloatsKey_get_index(self)
2938 r"""show_all(_ostream out)"""
2939 return _IMP_kernel.FloatsKey_show_all(out)
2942 def get_all_strings():
2943 r"""get_all_strings() -> IMP::Vector< std::string >"""
2944 return _IMP_kernel.FloatsKey_get_all_strings()
2947 def get_number_unique():
2948 r"""get_number_unique() -> unsigned int"""
2949 return _IMP_kernel.FloatsKey_get_number_unique()
2952 r"""__str__(FloatsKey self) -> std::string"""
2953 return _IMP_kernel.FloatsKey___str__(self)
2956 r"""__repr__(FloatsKey self) -> std::string"""
2957 return _IMP_kernel.FloatsKey___repr__(self)
2958 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
2961 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
2963 r"""Proxy of C++ IMP::Key< 12 > class."""
2965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2967 def __init__(self, *args):
2969 __init__(SparseStringKey self) -> SparseStringKey
2970 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
2971 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
2973 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
2977 r"""add_key(std::string sc) -> unsigned int"""
2978 return _IMP_kernel.SparseStringKey_add_key(sc)
2981 def get_key_exists(sc):
2982 r"""get_key_exists(std::string sc) -> bool"""
2983 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
2985 def get_string(self):
2986 r"""get_string(SparseStringKey self) -> std::string const"""
2987 return _IMP_kernel.SparseStringKey_get_string(self)
2989 def __cmp__(self, o):
2990 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
2991 return _IMP_kernel.SparseStringKey___cmp__(self, o)
2993 def __eq__(self, o):
2994 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
2995 return _IMP_kernel.SparseStringKey___eq__(self, o)
2997 def __ne__(self, o):
2998 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
2999 return _IMP_kernel.SparseStringKey___ne__(self, o)
3001 def __lt__(self, o):
3002 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3003 return _IMP_kernel.SparseStringKey___lt__(self, o)
3005 def __gt__(self, o):
3006 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3007 return _IMP_kernel.SparseStringKey___gt__(self, o)
3009 def __ge__(self, o):
3010 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3011 return _IMP_kernel.SparseStringKey___ge__(self, o)
3013 def __le__(self, o):
3014 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3015 return _IMP_kernel.SparseStringKey___le__(self, o)
3018 r"""__hash__(SparseStringKey self) -> std::size_t"""
3019 return _IMP_kernel.SparseStringKey___hash__(self)
3021 def show(self, *args):
3022 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3023 return _IMP_kernel.SparseStringKey_show(self, *args)
3026 def add_alias(old_key, new_name):
3027 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3028 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3031 def get_number_of_keys():
3032 r"""get_number_of_keys() -> unsigned int"""
3033 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3036 r"""get_index(SparseStringKey self) -> unsigned int"""
3037 return _IMP_kernel.SparseStringKey_get_index(self)
3041 r"""show_all(_ostream out)"""
3042 return _IMP_kernel.SparseStringKey_show_all(out)
3045 def get_all_strings():
3046 r"""get_all_strings() -> IMP::Vector< std::string >"""
3047 return _IMP_kernel.SparseStringKey_get_all_strings()
3050 def get_number_unique():
3051 r"""get_number_unique() -> unsigned int"""
3052 return _IMP_kernel.SparseStringKey_get_number_unique()
3055 r"""__str__(SparseStringKey self) -> std::string"""
3056 return _IMP_kernel.SparseStringKey___str__(self)
3059 r"""__repr__(SparseStringKey self) -> std::string"""
3060 return _IMP_kernel.SparseStringKey___repr__(self)
3061 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3064 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3066 r"""Proxy of C++ IMP::Key< 13 > class."""
3068 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3070 def __init__(self, *args):
3072 __init__(SparseIntKey self) -> SparseIntKey
3073 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3074 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3076 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3080 r"""add_key(std::string sc) -> unsigned int"""
3081 return _IMP_kernel.SparseIntKey_add_key(sc)
3084 def get_key_exists(sc):
3085 r"""get_key_exists(std::string sc) -> bool"""
3086 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3088 def get_string(self):
3089 r"""get_string(SparseIntKey self) -> std::string const"""
3090 return _IMP_kernel.SparseIntKey_get_string(self)
3092 def __cmp__(self, o):
3093 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3094 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3096 def __eq__(self, o):
3097 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3098 return _IMP_kernel.SparseIntKey___eq__(self, o)
3100 def __ne__(self, o):
3101 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3102 return _IMP_kernel.SparseIntKey___ne__(self, o)
3104 def __lt__(self, o):
3105 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3106 return _IMP_kernel.SparseIntKey___lt__(self, o)
3108 def __gt__(self, o):
3109 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3110 return _IMP_kernel.SparseIntKey___gt__(self, o)
3112 def __ge__(self, o):
3113 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3114 return _IMP_kernel.SparseIntKey___ge__(self, o)
3116 def __le__(self, o):
3117 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3118 return _IMP_kernel.SparseIntKey___le__(self, o)
3121 r"""__hash__(SparseIntKey self) -> std::size_t"""
3122 return _IMP_kernel.SparseIntKey___hash__(self)
3124 def show(self, *args):
3125 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3126 return _IMP_kernel.SparseIntKey_show(self, *args)
3129 def add_alias(old_key, new_name):
3130 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3131 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3134 def get_number_of_keys():
3135 r"""get_number_of_keys() -> unsigned int"""
3136 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3139 r"""get_index(SparseIntKey self) -> unsigned int"""
3140 return _IMP_kernel.SparseIntKey_get_index(self)
3144 r"""show_all(_ostream out)"""
3145 return _IMP_kernel.SparseIntKey_show_all(out)
3148 def get_all_strings():
3149 r"""get_all_strings() -> IMP::Vector< std::string >"""
3150 return _IMP_kernel.SparseIntKey_get_all_strings()
3153 def get_number_unique():
3154 r"""get_number_unique() -> unsigned int"""
3155 return _IMP_kernel.SparseIntKey_get_number_unique()
3158 r"""__str__(SparseIntKey self) -> std::string"""
3159 return _IMP_kernel.SparseIntKey___str__(self)
3162 r"""__repr__(SparseIntKey self) -> std::string"""
3163 return _IMP_kernel.SparseIntKey___repr__(self)
3164 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3167 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3169 r"""Proxy of C++ IMP::Key< 14 > class."""
3171 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3173 def __init__(self, *args):
3175 __init__(SparseFloatKey self) -> SparseFloatKey
3176 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3177 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3179 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3183 r"""add_key(std::string sc) -> unsigned int"""
3184 return _IMP_kernel.SparseFloatKey_add_key(sc)
3187 def get_key_exists(sc):
3188 r"""get_key_exists(std::string sc) -> bool"""
3189 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3191 def get_string(self):
3192 r"""get_string(SparseFloatKey self) -> std::string const"""
3193 return _IMP_kernel.SparseFloatKey_get_string(self)
3195 def __cmp__(self, o):
3196 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3197 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3199 def __eq__(self, o):
3200 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3201 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3203 def __ne__(self, o):
3204 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3205 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3207 def __lt__(self, o):
3208 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3209 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3211 def __gt__(self, o):
3212 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3213 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3215 def __ge__(self, o):
3216 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3217 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3219 def __le__(self, o):
3220 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3221 return _IMP_kernel.SparseFloatKey___le__(self, o)
3224 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3225 return _IMP_kernel.SparseFloatKey___hash__(self)
3227 def show(self, *args):
3228 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3229 return _IMP_kernel.SparseFloatKey_show(self, *args)
3232 def add_alias(old_key, new_name):
3233 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3234 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3237 def get_number_of_keys():
3238 r"""get_number_of_keys() -> unsigned int"""
3239 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3242 r"""get_index(SparseFloatKey self) -> unsigned int"""
3243 return _IMP_kernel.SparseFloatKey_get_index(self)
3247 r"""show_all(_ostream out)"""
3248 return _IMP_kernel.SparseFloatKey_show_all(out)
3251 def get_all_strings():
3252 r"""get_all_strings() -> IMP::Vector< std::string >"""
3253 return _IMP_kernel.SparseFloatKey_get_all_strings()
3256 def get_number_unique():
3257 r"""get_number_unique() -> unsigned int"""
3258 return _IMP_kernel.SparseFloatKey_get_number_unique()
3261 r"""__str__(SparseFloatKey self) -> std::string"""
3262 return _IMP_kernel.SparseFloatKey___str__(self)
3265 r"""__repr__(SparseFloatKey self) -> std::string"""
3266 return _IMP_kernel.SparseFloatKey___repr__(self)
3267 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3270 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3272 r"""Proxy of C++ IMP::Key< 15 > class."""
3274 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3276 def __init__(self, *args):
3278 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3279 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3280 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3282 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3286 r"""add_key(std::string sc) -> unsigned int"""
3287 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3290 def get_key_exists(sc):
3291 r"""get_key_exists(std::string sc) -> bool"""
3292 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3294 def get_string(self):
3295 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3296 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3298 def __cmp__(self, o):
3299 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3300 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3302 def __eq__(self, o):
3303 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3304 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3306 def __ne__(self, o):
3307 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3308 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3310 def __lt__(self, o):
3311 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3312 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3314 def __gt__(self, o):
3315 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3316 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3318 def __ge__(self, o):
3319 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3320 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3322 def __le__(self, o):
3323 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3324 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3327 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3328 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3330 def show(self, *args):
3331 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3332 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3335 def add_alias(old_key, new_name):
3336 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3337 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3340 def get_number_of_keys():
3341 r"""get_number_of_keys() -> unsigned int"""
3342 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3345 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3346 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3350 r"""show_all(_ostream out)"""
3351 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3354 def get_all_strings():
3355 r"""get_all_strings() -> IMP::Vector< std::string >"""
3356 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3359 def get_number_unique():
3360 r"""get_number_unique() -> unsigned int"""
3361 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3364 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3365 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3368 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3369 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3370 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3373 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3375 r"""Proxy of C++ IMP::Key< 16 > class."""
3377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3379 def __init__(self, *args):
3381 __init__(Vector3DKey self) -> Vector3DKey
3382 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3383 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3385 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3389 r"""add_key(std::string sc) -> unsigned int"""
3390 return _IMP_kernel.Vector3DKey_add_key(sc)
3393 def get_key_exists(sc):
3394 r"""get_key_exists(std::string sc) -> bool"""
3395 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3397 def get_string(self):
3398 r"""get_string(Vector3DKey self) -> std::string const"""
3399 return _IMP_kernel.Vector3DKey_get_string(self)
3401 def __cmp__(self, o):
3402 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3403 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3405 def __eq__(self, o):
3406 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3407 return _IMP_kernel.Vector3DKey___eq__(self, o)
3409 def __ne__(self, o):
3410 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3411 return _IMP_kernel.Vector3DKey___ne__(self, o)
3413 def __lt__(self, o):
3414 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3415 return _IMP_kernel.Vector3DKey___lt__(self, o)
3417 def __gt__(self, o):
3418 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3419 return _IMP_kernel.Vector3DKey___gt__(self, o)
3421 def __ge__(self, o):
3422 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3423 return _IMP_kernel.Vector3DKey___ge__(self, o)
3425 def __le__(self, o):
3426 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3427 return _IMP_kernel.Vector3DKey___le__(self, o)
3430 r"""__hash__(Vector3DKey self) -> std::size_t"""
3431 return _IMP_kernel.Vector3DKey___hash__(self)
3433 def show(self, *args):
3434 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3435 return _IMP_kernel.Vector3DKey_show(self, *args)
3438 def add_alias(old_key, new_name):
3439 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3440 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3443 def get_number_of_keys():
3444 r"""get_number_of_keys() -> unsigned int"""
3445 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3448 r"""get_index(Vector3DKey self) -> unsigned int"""
3449 return _IMP_kernel.Vector3DKey_get_index(self)
3453 r"""show_all(_ostream out)"""
3454 return _IMP_kernel.Vector3DKey_show_all(out)
3457 def get_all_strings():
3458 r"""get_all_strings() -> IMP::Vector< std::string >"""
3459 return _IMP_kernel.Vector3DKey_get_all_strings()
3462 def get_number_unique():
3463 r"""get_number_unique() -> unsigned int"""
3464 return _IMP_kernel.Vector3DKey_get_number_unique()
3467 r"""__str__(Vector3DKey self) -> std::string"""
3468 return _IMP_kernel.Vector3DKey___str__(self)
3471 r"""__repr__(Vector3DKey self) -> std::string"""
3472 return _IMP_kernel.Vector3DKey___repr__(self)
3473 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
3476 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
3485 class FloatIndex(_Value):
3486 r"""Proxy of C++ IMP::FloatIndex class."""
3488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3490 def __init__(self, *args):
3491 r"""__init__(FloatIndex self, ParticleIndex i0=ParticleIndex(), FloatKey i1=FloatKey()) -> FloatIndex"""
3492 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
3495 r"""__hash__(FloatIndex self) -> std::size_t"""
3496 return _IMP_kernel.FloatIndex___hash__(self)
3498 def show(self, *args):
3499 r"""show(FloatIndex self, _ostream out=std::cout)"""
3500 return _IMP_kernel.FloatIndex_show(self, *args)
3502 def __cmp__(self, o):
3503 r"""__cmp__(FloatIndex self, FloatIndex o) -> int"""
3504 return _IMP_kernel.FloatIndex___cmp__(self, o)
3506 def __eq__(self, o):
3507 r"""__eq__(FloatIndex self, FloatIndex o) -> bool"""
3508 return _IMP_kernel.FloatIndex___eq__(self, o)
3510 def __ne__(self, o):
3511 r"""__ne__(FloatIndex self, FloatIndex o) -> bool"""
3512 return _IMP_kernel.FloatIndex___ne__(self, o)
3514 def __lt__(self, o):
3515 r"""__lt__(FloatIndex self, FloatIndex o) -> bool"""
3516 return _IMP_kernel.FloatIndex___lt__(self, o)
3518 def __gt__(self, o):
3519 r"""__gt__(FloatIndex self, FloatIndex o) -> bool"""
3520 return _IMP_kernel.FloatIndex___gt__(self, o)
3522 def __ge__(self, o):
3523 r"""__ge__(FloatIndex self, FloatIndex o) -> bool"""
3524 return _IMP_kernel.FloatIndex___ge__(self, o)
3526 def __le__(self, o):
3527 r"""__le__(FloatIndex self, FloatIndex o) -> bool"""
3528 return _IMP_kernel.FloatIndex___le__(self, o)
3530 def get_particle(self):
3531 r"""get_particle(FloatIndex self) -> ParticleIndex const &"""
3532 return _IMP_kernel.FloatIndex_get_particle(self)
3534 def set_particle(self, v):
3535 r"""set_particle(FloatIndex self, ParticleIndex const & v)"""
3536 return _IMP_kernel.FloatIndex_set_particle(self, v)
3539 r"""get_key(FloatIndex self) -> FloatKey const &"""
3540 return _IMP_kernel.FloatIndex_get_key(self)
3542 def set_key(self, v):
3543 r"""set_key(FloatIndex self, FloatKey const & v)"""
3544 return _IMP_kernel.FloatIndex_set_key(self, v)
3547 r"""__str__(FloatIndex self) -> std::string"""
3548 return _IMP_kernel.FloatIndex___str__(self)
3551 r"""__repr__(FloatIndex self) -> std::string"""
3552 return _IMP_kernel.FloatIndex___repr__(self)
3553 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
3556 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
3557 class _ParticleIndexTag(object):
3558 r"""Proxy of C++ IMP::ParticleIndexTag class."""
3560 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3561 __repr__ = _swig_repr
3564 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
3565 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
3566 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
3569 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
3570 class ModelObject(
Object):
3571 r"""Proxy of C++ IMP::ModelObject class."""
3573 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3575 def __init__(self, *args):
3577 __init__(ModelObject self, Model m, std::string name) -> ModelObject
3578 __init__(ModelObject self) -> ModelObject
3580 if self.__class__ == ModelObject:
3584 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
3586 if self.__class__ != ModelObject:
3587 _director_objects.register(self)
3591 __swig_destroy__ = _IMP_kernel.delete_ModelObject
3593 def get_model(self):
3594 m = _IMP_kernel.ModelObject_get_model(self)
3595 if m
in _models_set:
3596 m = _models_set_get(m)
3601 def get_inputs(self):
3602 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3603 return _IMP_kernel.ModelObject_get_inputs(self)
3605 def get_outputs(self):
3606 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3607 return _IMP_kernel.ModelObject_get_outputs(self)
3609 def get_interactions(self):
3610 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3611 return _IMP_kernel.ModelObject_get_interactions(self)
3613 def get_has_dependencies(self):
3614 r"""get_has_dependencies(ModelObject self) -> bool"""
3615 return _IMP_kernel.ModelObject_get_has_dependencies(self)
3617 def set_has_dependencies(self, tf):
3618 r"""set_has_dependencies(ModelObject self, bool tf)"""
3619 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
3621 def set_has_required_score_states(self, tf):
3622 r"""set_has_required_score_states(ModelObject self, bool tf)"""
3623 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
3625 def get_has_required_score_states(self):
3626 r"""get_has_required_score_states(ModelObject self) -> bool"""
3627 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
3629 def get_required_score_states(self):
3630 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
3631 return _IMP_kernel.ModelObject_get_required_score_states(self)
3633 def handle_set_has_required_score_states(self, arg0):
3634 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
3635 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
3637 def do_get_inputs(self):
3638 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3639 return _IMP_kernel.ModelObject_do_get_inputs(self)
3641 def do_get_outputs(self):
3642 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3643 return _IMP_kernel.ModelObject_do_get_outputs(self)
3645 def do_get_interactions(self):
3646 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3647 return _IMP_kernel.ModelObject_do_get_interactions(self)
3650 r"""__str__(ModelObject self) -> std::string"""
3651 return _IMP_kernel.ModelObject___str__(self)
3654 r"""__repr__(ModelObject self) -> std::string"""
3655 return _IMP_kernel.ModelObject___repr__(self)
3659 return _object_cast_to_ModelObject(o)
3662 def do_show(self, out):
3667 return _object_cast_to_ModelObject(o)
3669 def __disown__(self):
3671 _IMP_kernel.disown_ModelObject(self)
3672 return weakref.proxy(self)
3675 r"""do_destroy(ModelObject self)"""
3676 return _IMP_kernel.ModelObject_do_destroy(self)
3679 _IMP_kernel.ModelObject_swigregister(ModelObject)
3680 cvar = _IMP_kernel.cvar
3681 NO_MAX = cvar.NO_MAX
3682 BAD_SCORE = cvar.BAD_SCORE
3684 class _ParticleInputs(object):
3685 r"""Proxy of C++ IMP::ParticleInputs class."""
3687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3689 def __init__(self, *args, **kwargs):
3690 raise AttributeError(
"No constructor defined - class is abstract")
3691 __repr__ = _swig_repr
3693 def get_inputs(self, m, pis):
3694 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3695 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
3698 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
3699 class _ParticleOutputs(object):
3700 r"""Proxy of C++ IMP::ParticleOutputs class."""
3702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3704 def __init__(self, *args, **kwargs):
3705 raise AttributeError(
"No constructor defined - class is abstract")
3706 __repr__ = _swig_repr
3708 def get_outputs(self, m, pis):
3709 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3710 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
3713 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
3716 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3717 return _IMP_kernel.get_input_particles(mos)
3720 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3721 return _IMP_kernel.get_input_containers(mos)
3724 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3725 return _IMP_kernel.get_output_particles(mos)
3728 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3729 return _IMP_kernel.get_output_containers(mos)
3730 class DerivativeAccumulator(object):
3731 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
3733 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3734 __repr__ = _swig_repr
3736 def __init__(self, *args):
3738 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
3739 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
3740 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
3742 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
3744 def __call__(self, value):
3745 r"""__call__(DerivativeAccumulator self, double const value) -> double"""
3746 return _IMP_kernel.DerivativeAccumulator___call__(self, value)
3748 def get_weight(self):
3749 r"""get_weight(DerivativeAccumulator self) -> double"""
3750 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
3752 def show(self, *args):
3753 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
3754 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
3755 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
3758 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
3759 class EvaluationState(object):
3760 r"""Proxy of C++ IMP::EvaluationState class."""
3762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3763 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
3764 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
3766 def __init__(self, *args):
3768 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
3769 __init__(EvaluationState self) -> EvaluationState
3771 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
3773 def show(self, *args):
3774 r"""show(EvaluationState self, _ostream out=std::cout)"""
3775 return _IMP_kernel.EvaluationState_show(self, *args)
3778 r"""__str__(EvaluationState self) -> std::string"""
3779 return _IMP_kernel.EvaluationState___str__(self)
3782 r"""__repr__(EvaluationState self) -> std::string"""
3783 return _IMP_kernel.EvaluationState___repr__(self)
3784 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
3787 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
3788 class ScoreAccumulator(_Value):
3789 r"""Proxy of C++ IMP::ScoreAccumulator class."""
3791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3793 def __init__(self, *args):
3795 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
3796 __init__(ScoreAccumulator self) -> ScoreAccumulator
3797 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
3798 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
3800 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
3802 def add_score(self, score):
3803 r"""add_score(ScoreAccumulator self, double score)"""
3804 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
3806 def get_abort_evaluation(self):
3807 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
3808 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
3810 def get_is_evaluate_if_below(self):
3811 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
3812 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
3814 def get_is_evaluate_if_good(self):
3815 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
3816 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
3818 def get_maximum(self):
3819 r"""get_maximum(ScoreAccumulator self) -> double"""
3820 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
3822 def get_derivative_accumulator(self):
3823 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
3824 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
3826 def show(self, *args):
3827 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
3828 return _IMP_kernel.ScoreAccumulator_show(self, *args)
3831 r"""__str__(ScoreAccumulator self) -> std::string"""
3832 return _IMP_kernel.ScoreAccumulator___str__(self)
3835 r"""__repr__(ScoreAccumulator self) -> std::string"""
3836 return _IMP_kernel.ScoreAccumulator___repr__(self)
3837 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
3840 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
3841 class ScoreState(ModelObject):
3842 r"""Proxy of C++ IMP::ScoreState class."""
3844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3846 def set_can_skip(self, can_skip):
3847 r"""set_can_skip(ScoreState self, bool can_skip)"""
3848 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
3850 def __init__(self, *args):
3852 __init__(ScoreState self, Model m, std::string name) -> ScoreState
3853 __init__(ScoreState self) -> ScoreState
3855 if self.__class__ == ScoreState:
3859 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
3861 if self.__class__ != ScoreState:
3862 _director_objects.register(self)
3867 def before_evaluate(self):
3868 r"""before_evaluate(ScoreState self)"""
3869 return _IMP_kernel.ScoreState_before_evaluate(self)
3871 def after_evaluate(self, accpt):
3872 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3873 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
3875 def get_can_skip(self):
3876 r"""get_can_skip(ScoreState self) -> bool"""
3877 return _IMP_kernel.ScoreState_get_can_skip(self)
3879 def get_has_update_order(self):
3880 r"""get_has_update_order(ScoreState self) -> bool"""
3881 return _IMP_kernel.ScoreState_get_has_update_order(self)
3884 r"""get_update_order(ScoreState self) -> unsigned int"""
3885 return _IMP_kernel.ScoreState_get_update_order(self)
3887 def handle_set_has_required_score_states(self, tf):
3888 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
3889 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
3891 def do_before_evaluate(self):
3892 r"""do_before_evaluate(ScoreState self)"""
3893 return _IMP_kernel.ScoreState_do_before_evaluate(self)
3895 def do_after_evaluate(self, accpt):
3896 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3897 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
3898 __swig_destroy__ = _IMP_kernel.delete_ScoreState
3901 r"""__str__(ScoreState self) -> std::string"""
3902 return _IMP_kernel.ScoreState___str__(self)
3905 r"""__repr__(ScoreState self) -> std::string"""
3906 return _IMP_kernel.ScoreState___repr__(self)
3910 return _object_cast_to_ScoreState(o)
3913 def do_show(self, out):
3918 return _object_cast_to_ScoreState(o)
3921 def _wrap_jax(self, apply_func, keys=None):
3922 """Create the return value for _get_jax.
3923 Use this method in _get_jax() to wrap the JAX apply function
3924 with other model- and ScoreState-specific information.
3926 @param apply_func A function implemented using JAX that takes
3927 a single argument (the current JAX Model) and returns
3928 a new JAX Model with the ScoreState's transformation
3930 @param keys If given, a set of IMP::Key objects describing Model
3931 attributes (other than xyz and radius) that the ScoreState
3934 from IMP._jax_util
import JAXScoreStateInfo
3935 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
3939 """Return a JAX implementation of this ScoreState.
3940 Implement this method in a ScoreState subclass to provide
3941 an equivalent function using [JAX](https://docs.jax.dev/)
3942 that modifies the JAX Model. See also _wrap_jax.
3944 raise NotImplementedError(f
"No JAX implementation for {self}")
3946 def __disown__(self):
3948 _IMP_kernel.disown_ScoreState(self)
3949 return weakref.proxy(self)
3952 r"""do_destroy(ScoreState self)"""
3953 return _IMP_kernel.ScoreState_do_destroy(self)
3955 def do_get_inputs(self):
3956 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3957 return _IMP_kernel.ScoreState_do_get_inputs(self)
3959 def do_get_outputs(self):
3960 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3961 return _IMP_kernel.ScoreState_do_get_outputs(self)
3963 def do_get_interactions(self):
3964 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
3965 return _IMP_kernel.ScoreState_do_get_interactions(self)
3968 _IMP_kernel.ScoreState_swigregister(ScoreState)
3971 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
3972 return _IMP_kernel.get_update_order(input)
3973 class Constraint(ScoreState):
3974 r"""Proxy of C++ IMP::Constraint class."""
3976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3978 def __init__(self, *args):
3980 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
3981 __init__(Constraint self) -> Constraint
3983 if self.__class__ == Constraint:
3987 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
3989 if self.__class__ != Constraint:
3990 _director_objects.register(self)
3995 def do_update_attributes(self):
3996 r"""do_update_attributes(Constraint self)"""
3997 return _IMP_kernel.Constraint_do_update_attributes(self)
3999 def do_update_derivatives(self, da):
4000 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4001 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4003 def do_before_evaluate(self):
4004 r"""do_before_evaluate(Constraint self)"""
4005 return _IMP_kernel.Constraint_do_before_evaluate(self)
4007 def do_after_evaluate(self, da):
4008 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4009 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4010 __swig_destroy__ = _IMP_kernel.delete_Constraint
4013 r"""__str__(Constraint self) -> std::string"""
4014 return _IMP_kernel.Constraint___str__(self)
4017 r"""__repr__(Constraint self) -> std::string"""
4018 return _IMP_kernel.Constraint___repr__(self)
4022 return _object_cast_to_Constraint(o)
4025 def do_show(self, out):
4030 return _object_cast_to_Constraint(o)
4032 def __disown__(self):
4034 _IMP_kernel.disown_Constraint(self)
4035 return weakref.proxy(self)
4038 r"""do_destroy(Constraint self)"""
4039 return _IMP_kernel.Constraint_do_destroy(self)
4041 def do_get_inputs(self):
4042 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4043 return _IMP_kernel.Constraint_do_get_inputs(self)
4045 def do_get_outputs(self):
4046 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4047 return _IMP_kernel.Constraint_do_get_outputs(self)
4049 def do_get_interactions(self):
4050 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4051 return _IMP_kernel.Constraint_do_get_interactions(self)
4054 _IMP_kernel.Constraint_swigregister(Constraint)
4055 class Container(ModelObject):
4056 r"""Proxy of C++ IMP::Container class."""
4058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4060 def __init__(self, *args):
4062 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4063 __init__(Container self) -> Container
4065 if self.__class__ == Container:
4069 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4071 if self.__class__ != Container:
4072 _director_objects.register(self)
4077 def do_get_contents_hash(self):
4078 r"""do_get_contents_hash(Container self) -> std::size_t"""
4079 return _IMP_kernel.Container_do_get_contents_hash(self)
4081 def get_all_possible_indexes(self):
4082 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4083 return _IMP_kernel.Container_get_all_possible_indexes(self)
4085 def get_contents_hash(self):
4086 r"""get_contents_hash(Container self) -> std::size_t"""
4087 return _IMP_kernel.Container_get_contents_hash(self)
4089 def do_get_outputs(self):
4090 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
4091 return _IMP_kernel.Container_do_get_outputs(self)
4093 def get_is_decomposable(self):
4094 r"""get_is_decomposable(Container self) -> bool"""
4095 return _IMP_kernel.Container_get_is_decomposable(self)
4097 def validate_readable(self):
4098 r"""validate_readable(Container self)"""
4099 return _IMP_kernel.Container_validate_readable(self)
4101 def validate_writable(self):
4102 r"""validate_writable(Container self)"""
4103 return _IMP_kernel.Container_validate_writable(self)
4105 def set_is_readable(self, tf):
4106 r"""set_is_readable(Container self, bool tf)"""
4107 return _IMP_kernel.Container_set_is_readable(self, tf)
4109 def set_is_writable(self, tf):
4110 r"""set_is_writable(Container self, bool tf)"""
4111 return _IMP_kernel.Container_set_is_writable(self, tf)
4112 __swig_destroy__ = _IMP_kernel.delete_Container
4115 r"""__str__(Container self) -> std::string"""
4116 return _IMP_kernel.Container___str__(self)
4119 r"""__repr__(Container self) -> std::string"""
4120 return _IMP_kernel.Container___repr__(self)
4124 return _object_cast_to_Container(o)
4127 def do_show(self, out):
4132 return _object_cast_to_Container(o)
4134 def __disown__(self):
4136 _IMP_kernel.disown_Container(self)
4137 return weakref.proxy(self)
4140 r"""do_destroy(Container self)"""
4141 return _IMP_kernel.Container_do_destroy(self)
4143 def handle_set_has_required_score_states(self, arg0):
4144 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
4145 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
4147 def do_get_inputs(self):
4148 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
4149 return _IMP_kernel.Container_do_get_inputs(self)
4151 def do_get_interactions(self):
4152 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
4153 return _IMP_kernel.Container_do_get_interactions(self)
4156 _IMP_kernel.Container_swigregister(Container)
4157 class RestraintInfo(
Object):
4158 r"""Proxy of C++ IMP::RestraintInfo class."""
4160 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4162 def __init__(self, *args):
4163 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
4164 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
4167 r"""clear(RestraintInfo self)"""
4168 return _IMP_kernel.RestraintInfo_clear(self)
4170 def add_int(self, key, value):
4171 r"""add_int(RestraintInfo self, std::string key, int value)"""
4172 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
4174 def get_number_of_int(self):
4175 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
4176 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
4178 def get_int_key(self, i):
4179 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
4180 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
4182 def get_int_value(self, i):
4183 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
4184 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
4186 def add_float(self, key, value):
4187 r"""add_float(RestraintInfo self, std::string key, double value)"""
4188 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
4190 def get_number_of_float(self):
4191 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
4192 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
4194 def get_float_key(self, i):
4195 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
4196 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
4198 def get_float_value(self, i):
4199 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
4200 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
4202 def add_string(self, key, value):
4203 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
4204 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
4206 def get_number_of_string(self):
4207 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
4208 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
4210 def get_string_key(self, i):
4211 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
4212 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
4214 def get_string_value(self, i):
4215 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
4216 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
4218 def add_filename(self, key, value):
4219 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
4220 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
4222 def get_number_of_filename(self):
4223 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
4224 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
4226 def get_filename_key(self, i):
4227 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
4228 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
4230 def get_filename_value(self, i):
4231 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
4232 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
4234 def add_floats(self, key, value):
4235 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
4236 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
4238 def get_number_of_floats(self):
4239 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
4240 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
4242 def get_floats_key(self, i):
4243 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
4244 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
4246 def get_floats_value(self, i):
4247 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
4248 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
4250 def add_ints(self, key, value):
4251 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
4252 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
4254 def get_number_of_ints(self):
4255 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
4256 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
4258 def get_ints_key(self, i):
4259 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
4260 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
4262 def get_ints_value(self, i):
4263 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
4264 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
4266 def add_strings(self, key, value):
4267 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
4268 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
4270 def get_number_of_strings(self):
4271 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
4272 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
4274 def get_strings_key(self, i):
4275 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
4276 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
4278 def get_strings_value(self, i):
4279 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4280 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
4282 def add_filenames(self, key, value):
4283 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
4284 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
4286 def get_number_of_filenames(self):
4287 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
4288 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
4290 def get_filenames_key(self, i):
4291 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
4292 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
4294 def get_filenames_value(self, i):
4295 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4296 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
4298 def add_particle_indexes(self, key, value):
4299 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
4300 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
4302 def get_number_of_particle_indexes(self):
4303 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
4304 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
4306 def get_particle_indexes_key(self, i):
4307 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
4308 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
4310 def get_particle_indexes_value(self, i):
4311 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
4312 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
4315 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
4316 return _IMP_kernel.RestraintInfo_get_version_info(self)
4317 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
4320 r"""__str__(RestraintInfo self) -> std::string"""
4321 return _IMP_kernel.RestraintInfo___str__(self)
4324 r"""__repr__(RestraintInfo self) -> std::string"""
4325 return _IMP_kernel.RestraintInfo___repr__(self)
4329 return _object_cast_to_RestraintInfo(o)
4333 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
4334 class Restraint(ModelObject):
4335 r"""Proxy of C++ IMP::Restraint class."""
4337 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4339 def __init__(self, *args):
4341 __init__(Restraint self, Model m, std::string name) -> Restraint
4342 __init__(Restraint self) -> Restraint
4344 if self.__class__ == Restraint:
4348 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
4350 if self.__class__ != Restraint:
4351 _director_objects.register(self)
4356 def get_score(self):
4357 r"""get_score(Restraint self) -> double"""
4358 return _IMP_kernel.Restraint_get_score(self)
4360 def evaluate(self, calc_derivs):
4361 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
4362 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
4364 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
4365 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4366 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
4368 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
4369 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4370 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
4372 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
4373 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4374 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
4376 def evaluate_if_good(self, calc_derivatives):
4377 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
4378 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
4380 def evaluate_if_below(self, calc_derivatives, max):
4381 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
4382 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
4384 def unprotected_evaluate(self, da):
4385 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
4386 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
4388 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
4389 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4390 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
4392 def unprotected_evaluate_if_good(self, da, max):
4393 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
4394 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
4396 def unprotected_evaluate_if_below(self, da, max):
4397 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
4398 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
4400 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
4401 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4402 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
4404 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
4405 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4406 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
4408 def get_static_info(self):
4409 r"""get_static_info(Restraint self) -> RestraintInfo"""
4410 return _IMP_kernel.Restraint_get_static_info(self)
4412 def get_dynamic_info(self):
4413 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
4414 return _IMP_kernel.Restraint_get_dynamic_info(self)
4416 def add_score_and_derivatives(self, sa):
4417 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4418 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
4420 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4421 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4422 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4425 r"""create_decomposition(Restraint self) -> Restraint"""
4426 return _IMP_kernel.Restraint_create_decomposition(self)
4428 def create_current_decomposition(self):
4429 r"""create_current_decomposition(Restraint self) -> Restraint"""
4430 return _IMP_kernel.Restraint_create_current_decomposition(self)
4432 def set_weight(self, weight):
4433 r"""set_weight(Restraint self, IMP::Float weight)"""
4434 return _IMP_kernel.Restraint_set_weight(self, weight)
4436 def get_weight(self):
4437 r"""get_weight(Restraint self) -> IMP::Float"""
4438 return _IMP_kernel.Restraint_get_weight(self)
4440 def get_maximum_score(self):
4441 r"""get_maximum_score(Restraint self) -> double"""
4442 return _IMP_kernel.Restraint_get_maximum_score(self)
4444 def set_maximum_score(self, s):
4445 r"""set_maximum_score(Restraint self, double s)"""
4446 return _IMP_kernel.Restraint_set_maximum_score(self, s)
4449 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
4450 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
4452 def set_last_score(self, s):
4453 r"""set_last_score(Restraint self, double s)"""
4454 return _IMP_kernel.Restraint_set_last_score(self, s)
4456 def set_last_last_score(self, s):
4457 r"""set_last_last_score(Restraint self, double s)"""
4458 return _IMP_kernel.Restraint_set_last_last_score(self, s)
4460 def get_last_score(self):
4461 r"""get_last_score(Restraint self) -> double"""
4462 return _IMP_kernel.Restraint_get_last_score(self)
4464 def get_last_last_score(self):
4465 r"""get_last_last_score(Restraint self) -> double"""
4466 return _IMP_kernel.Restraint_get_last_last_score(self)
4468 def get_is_aggregate(self):
4469 r"""get_is_aggregate(Restraint self) -> bool"""
4470 return _IMP_kernel.Restraint_get_is_aggregate(self)
4472 def get_was_good(self):
4473 r"""get_was_good(Restraint self) -> bool"""
4474 return _IMP_kernel.Restraint_get_was_good(self)
4475 __swig_destroy__ = _IMP_kernel.delete_Restraint
4477 def do_create_decomposition(self):
4478 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
4479 return _IMP_kernel.Restraint_do_create_decomposition(self)
4481 def do_create_current_decomposition(self):
4482 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
4483 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
4485 def do_add_score_and_derivatives(self, sa):
4486 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4487 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
4489 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4490 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4491 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4493 def do_get_outputs(self):
4494 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
4495 return _IMP_kernel.Restraint_do_get_outputs(self)
4496 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
4499 r"""__str__(Restraint self) -> std::string"""
4500 return _IMP_kernel.Restraint___str__(self)
4503 r"""__repr__(Restraint self) -> std::string"""
4504 return _IMP_kernel.Restraint___repr__(self)
4508 return _object_cast_to_Restraint(o)
4511 def do_show(self, out):
4516 return _object_cast_to_Restraint(o)
4519 def _wrap_jax(self, score_func, keys=None):
4520 """Create the return value for _get_jax.
4521 Use this method in _get_jax() to wrap the JAX scoring function
4522 with other model- and restraint-specific information.
4524 @param score_func A function implemented using JAX that takes
4525 a single argument (the current JAX Model) and returns
4526 the score of the restraint.
4527 @param keys If given, a set of IMP::Key objects describing Model
4528 attributes (other than xyz and radius) that the restraint
4529 uses. For example, a restraint that uses electrostatic charge
4530 would pass IMP::atom::Charged::get_charge_key() here.
4532 from IMP._jax_util
import JAXRestraintInfo
4533 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
4534 weight=self.get_weight(), keys=keys)
4537 """Return a JAX implementation of this Restraint.
4538 Implement this method in a Restraint subclass to provide
4539 an equivalent function using [JAX](https://docs.jax.dev/)
4540 that scores the current JAX Model. See also _wrap_jax.
4542 raise NotImplementedError(f
"No JAX implementation for {self}")
4544 def __disown__(self):
4546 _IMP_kernel.disown_Restraint(self)
4547 return weakref.proxy(self)
4550 r"""do_destroy(Restraint self)"""
4551 return _IMP_kernel.Restraint_do_destroy(self)
4553 def handle_set_has_required_score_states(self, arg0):
4554 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
4555 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
4557 def do_get_inputs(self):
4558 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
4559 return _IMP_kernel.Restraint_do_get_inputs(self)
4561 def do_get_interactions(self):
4562 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
4563 return _IMP_kernel.Restraint_do_get_interactions(self)
4566 _IMP_kernel.Restraint_swigregister(Restraint)
4567 class _RestraintsAdaptor(_InputAdaptor):
4568 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
4570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4571 __repr__ = _swig_repr
4573 def __init__(self, *args):
4575 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
4576 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
4577 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
4578 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
4580 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
4581 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
4584 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
4585 class RestraintSet(Restraint):
4586 r"""Proxy of C++ IMP::RestraintSet class."""
4588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4590 def __init__(self, *args):
4592 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4593 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
4594 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4595 __init__(RestraintSet self) -> RestraintSet
4597 if self.__class__ == RestraintSet:
4601 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
4603 if self.__class__ != RestraintSet:
4604 _director_objects.register(self)
4609 def unprotected_evaluate(self, da):
4610 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
4611 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
4613 def get_type_name(self):
4614 r"""get_type_name(RestraintSet self) -> std::string"""
4615 return _IMP_kernel.RestraintSet_get_type_name(self)
4618 r"""get_version_info(RestraintSet self) -> VersionInfo"""
4619 return _IMP_kernel.RestraintSet_get_version_info(self)
4620 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
4621 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)
4622 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
4623 def __del_restraints(self): _list_util.del_varlist(self.restraints)
4624 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
4626 def remove_restraint(self, d):
4627 r"""remove_restraint(RestraintSet self, Restraint d)"""
4628 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
4630 def _python_index_restraint(self, d, start, stop):
4631 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
4632 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
4634 def remove_restraints(self, d):
4635 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
4636 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
4638 def set_restraints(self, ps):
4639 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
4640 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
4642 def set_restraints_order(self, objs):
4643 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
4644 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
4647 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
4648 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
4651 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
4652 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
4654 def clear_restraints(self):
4655 r"""clear_restraints(RestraintSet self)"""
4656 return _IMP_kernel.RestraintSet_clear_restraints(self)
4658 def get_number_of_restraints(self):
4659 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
4660 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
4662 def get_has_restraints(self):
4663 r"""get_has_restraints(RestraintSet self) -> bool"""
4664 return _IMP_kernel.RestraintSet_get_has_restraints(self)
4666 def get_restraint(self, i):
4667 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
4668 return _IMP_kernel.RestraintSet_get_restraint(self, i)
4670 def get_restraints(self):
4671 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
4672 return _IMP_kernel.RestraintSet_get_restraints(self)
4674 def erase_restraint(self, i):
4675 r"""erase_restraint(RestraintSet self, unsigned int i)"""
4676 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
4678 def reserve_restraints(self, sz):
4679 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
4680 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
4682 def get_non_sets_and_sets(self):
4683 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
4684 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
4686 def do_get_inputs(self):
4687 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4688 return _IMP_kernel.RestraintSet_do_get_inputs(self)
4691 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
4692 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
4694 def get_last_score(self):
4695 r"""get_last_score(RestraintSet self) -> double"""
4696 return _IMP_kernel.RestraintSet_get_last_score(self)
4699 r"""__str__(RestraintSet self) -> std::string"""
4700 return _IMP_kernel.RestraintSet___str__(self)
4703 r"""__repr__(RestraintSet self) -> std::string"""
4704 return _IMP_kernel.RestraintSet___repr__(self)
4708 return _object_cast_to_RestraintSet(o)
4711 def do_show(self, out):
4716 return _object_cast_to_RestraintSet(o)
4719 def _get_as_binary(self):
4720 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
4721 return _IMP_kernel.RestraintSet__get_as_binary(self)
4723 def _set_from_binary(self, p):
4724 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
4725 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
4727 def __getstate__(self):
4728 p = self._get_as_binary()
4729 if len(self.__dict__) > 1:
4730 d = self.__dict__.copy()
4735 def __setstate__(self, p):
4736 if not hasattr(self,
'this'):
4738 if isinstance(p, tuple):
4740 self.__dict__.update(d)
4741 return self._set_from_binary(p)
4745 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
4746 funcs = [j.score_func
for j
in jis]
4747 keys = frozenset(x
for j
in jis
for x
in j._keys)
4750 return sum(f(jm)
for f
in funcs)
4754 return self._wrap_jax(jax_sf, keys=keys)
4756 def __disown__(self):
4758 _IMP_kernel.disown_RestraintSet(self)
4759 return weakref.proxy(self)
4762 r"""do_destroy(RestraintSet self)"""
4763 return _IMP_kernel.RestraintSet_do_destroy(self)
4765 def handle_set_has_required_score_states(self, arg0):
4766 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
4767 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
4769 def do_get_outputs(self):
4770 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4771 return _IMP_kernel.RestraintSet_do_get_outputs(self)
4773 def do_get_interactions(self):
4774 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
4775 return _IMP_kernel.RestraintSet_do_get_interactions(self)
4777 def do_create_decomposition(self):
4778 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
4779 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
4781 def do_create_current_decomposition(self):
4782 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
4783 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
4785 def do_add_score_and_derivatives(self, sa):
4786 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
4787 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
4789 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4790 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4791 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4794 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
4796 def get_restraints(rs):
4797 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
4798 return _IMP_kernel.get_restraints(rs)
4800 def _check_particle(p, a):
4801 if (
not p.get_is_active()):
4802 raise ValueError(
"Inactive Particle")
4803 if (type(a)() == a):
4804 raise IndexError(
"Cannot use default Index")
4805 if (
not p.has_attribute(a)):
4806 raise IndexError(
"Particle does not have attribute")
4808 class Particle(ModelObject):
4809 r"""Proxy of C++ IMP::Particle class."""
4811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4814 r"""get_version_info(Particle self) -> VersionInfo"""
4815 return _IMP_kernel.Particle_get_version_info(self)
4816 __swig_destroy__ = _IMP_kernel.delete_Particle
4818 def __init__(self, *args):
4820 __init__(Particle self, Model m, std::string name) -> Particle
4821 __init__(Particle self, Model m) -> Particle
4822 __init__(Particle self) -> Particle
4824 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
4826 def get_float_keys(self):
4827 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
4828 return _IMP_kernel.Particle_get_float_keys(self)
4830 def get_floats_keys(self):
4831 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
4832 return _IMP_kernel.Particle_get_floats_keys(self)
4834 def get_int_keys(self):
4835 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
4836 return _IMP_kernel.Particle_get_int_keys(self)
4838 def get_ints_keys(self):
4839 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
4840 return _IMP_kernel.Particle_get_ints_keys(self)
4842 def get_string_keys(self):
4843 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
4844 return _IMP_kernel.Particle_get_string_keys(self)
4846 def get_object_keys(self):
4847 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
4848 return _IMP_kernel.Particle_get_object_keys(self)
4850 def add_cache_attribute(self, *args):
4852 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
4853 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
4854 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
4855 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
4856 add_cache_attribute(Particle self, StringKey name, IMP::String value)
4857 add_cache_attribute(Particle self, ObjectKey name, Object value)
4858 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
4860 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
4862 def get_weak_object_keys(self):
4863 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
4864 return _IMP_kernel.Particle_get_weak_object_keys(self)
4866 def add_to_derivative(self, key, value, da):
4867 r"""add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)"""
4868 return _IMP_kernel.Particle_add_to_derivative(self, key, value, da)
4870 def set_is_optimized(self, k, tf):
4871 r"""set_is_optimized(Particle self, FloatKey k, bool tf)"""
4872 return _IMP_kernel.Particle_set_is_optimized(self, k, tf)
4874 def get_is_optimized(self, k):
4875 r"""get_is_optimized(Particle self, FloatKey k) -> bool"""
4876 return _IMP_kernel.Particle_get_is_optimized(self, k)
4878 def get_derivative(self, k):
4879 r"""get_derivative(Particle self, FloatKey k) -> IMP::Float"""
4880 return _IMP_kernel.Particle_get_derivative(self, k)
4882 def add_attribute(self, *args):
4884 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
4885 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
4886 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
4887 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
4888 add_attribute(Particle self, StringKey name, IMP::String initial_value)
4889 add_attribute(Particle self, ObjectKey name, Object initial_value)
4890 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
4891 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
4892 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
4893 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
4894 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
4895 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
4896 add_attribute(Particle self, ParticleIndexKey k, Particle v)
4898 return _IMP_kernel.Particle_add_attribute(self, *args)
4900 def has_attribute(self, *args):
4902 has_attribute(Particle self, FloatKey name) -> bool
4903 has_attribute(Particle self, FloatsKey name) -> bool
4904 has_attribute(Particle self, IntKey name) -> bool
4905 has_attribute(Particle self, IntsKey name) -> bool
4906 has_attribute(Particle self, StringKey name) -> bool
4907 has_attribute(Particle self, ObjectKey name) -> bool
4908 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
4909 has_attribute(Particle self, SparseStringKey name) -> bool
4910 has_attribute(Particle self, SparseIntKey name) -> bool
4911 has_attribute(Particle self, SparseFloatKey name) -> bool
4912 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
4913 has_attribute(Particle self, ParticleIndexKey k) -> bool
4915 return _IMP_kernel.Particle_has_attribute(self, *args)
4917 def set_value(self, *args):
4919 set_value(Particle self, FloatKey name, IMP::Float value)
4920 set_value(Particle self, FloatsKey name, IMP::Floats value)
4921 set_value(Particle self, IntKey name, IMP::Int value)
4922 set_value(Particle self, IntsKey name, IMP::Ints value)
4923 set_value(Particle self, StringKey name, IMP::String value)
4924 set_value(Particle self, ObjectKey name, Object value)
4925 set_value(Particle self, IMP::WeakObjectKey name, Object value)
4926 set_value(Particle self, SparseStringKey name, IMP::String value)
4927 set_value(Particle self, SparseIntKey name, IMP::Int value)
4928 set_value(Particle self, SparseFloatKey name, IMP::Float value)
4929 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
4930 set_value(Particle self, ParticleIndexKey k, Particle v)
4932 return _IMP_kernel.Particle_set_value(self, *args)
4934 def get_value(self, *args):
4936 get_value(Particle self, FloatKey name) -> IMP::Float
4937 get_value(Particle self, FloatsKey name) -> IMP::Floats
4938 get_value(Particle self, IntKey name) -> IMP::Int
4939 get_value(Particle self, IntsKey name) -> IMP::Ints
4940 get_value(Particle self, StringKey name) -> IMP::String
4941 get_value(Particle self, ObjectKey name) -> Object
4942 get_value(Particle self, IMP::WeakObjectKey name) -> Object
4943 get_value(Particle self, SparseStringKey name) -> IMP::String
4944 get_value(Particle self, SparseIntKey name) -> IMP::Int
4945 get_value(Particle self, SparseFloatKey name) -> IMP::Float
4946 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
4947 get_value(Particle self, ParticleIndexKey k) -> Particle
4949 return _IMP_kernel.Particle_get_value(self, *args)
4951 def remove_attribute(self, *args):
4953 remove_attribute(Particle self, FloatKey name)
4954 remove_attribute(Particle self, FloatsKey name)
4955 remove_attribute(Particle self, IntKey name)
4956 remove_attribute(Particle self, IntsKey name)
4957 remove_attribute(Particle self, StringKey name)
4958 remove_attribute(Particle self, ObjectKey name)
4959 remove_attribute(Particle self, IMP::WeakObjectKey name)
4960 remove_attribute(Particle self, SparseStringKey name)
4961 remove_attribute(Particle self, SparseIntKey name)
4962 remove_attribute(Particle self, SparseFloatKey name)
4963 remove_attribute(Particle self, SparseParticleIndexKey name)
4964 remove_attribute(Particle self, ParticleIndexKey k)
4966 return _IMP_kernel.Particle_remove_attribute(self, *args)
4968 def get_particle_keys(self):
4969 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
4970 return _IMP_kernel.Particle_get_particle_keys(self)
4972 def show(self, *args):
4973 r"""show(Particle self, _ostream out=std::cout)"""
4974 return _IMP_kernel.Particle_show(self, *args)
4976 def get_is_active(self):
4977 r"""get_is_active(Particle self) -> bool"""
4978 return _IMP_kernel.Particle_get_is_active(self)
4981 r"""get_index(Particle self) -> ParticleIndex"""
4982 return _IMP_kernel.Particle_get_index(self)
4984 def __eq__(self, *args):
4986 __eq__(Particle self, Particle o) -> bool
4987 __eq__(Particle self, Decorator d) -> bool
4989 return _IMP_kernel.Particle___eq__(self, *args)
4991 def __ne__(self, *args):
4993 __ne__(Particle self, Particle o) -> bool
4994 __ne__(Particle self, Decorator d) -> bool
4996 return _IMP_kernel.Particle___ne__(self, *args)
4998 def __le__(self, *args):
5000 __le__(Particle self, Particle o) -> bool
5001 __le__(Particle self, Decorator d) -> bool
5003 return _IMP_kernel.Particle___le__(self, *args)
5005 def __lt__(self, *args):
5007 __lt__(Particle self, Particle o) -> bool
5008 __lt__(Particle self, Decorator d) -> bool
5010 return _IMP_kernel.Particle___lt__(self, *args)
5012 def __ge__(self, *args):
5014 __ge__(Particle self, Particle o) -> bool
5015 __ge__(Particle self, Decorator d) -> bool
5017 return _IMP_kernel.Particle___ge__(self, *args)
5019 def __gt__(self, *args):
5021 __gt__(Particle self, Particle o) -> bool
5022 __gt__(Particle self, Decorator d) -> bool
5024 return _IMP_kernel.Particle___gt__(self, *args)
5026 __hash__ = ModelObject.__hash__
5030 r"""__str__(Particle self) -> std::string"""
5031 return _IMP_kernel.Particle___str__(self)
5034 r"""__repr__(Particle self) -> std::string"""
5035 return _IMP_kernel.Particle___repr__(self)
5039 return _object_cast_to_Particle(o)
5042 def _get_as_binary(self):
5043 r"""_get_as_binary(Particle self) -> PyObject *"""
5044 return _IMP_kernel.Particle__get_as_binary(self)
5046 def _set_from_binary(self, p):
5047 r"""_set_from_binary(Particle self, PyObject * p)"""
5048 return _IMP_kernel.Particle__set_from_binary(self, p)
5050 def __getstate__(self):
5051 p = self._get_as_binary()
5052 if len(self.__dict__) > 1:
5053 d = self.__dict__.copy()
5058 def __setstate__(self, p):
5059 if not hasattr(self,
'this'):
5061 if isinstance(p, tuple):
5063 self.__dict__.update(d)
5064 return self._set_from_binary(p)
5068 _IMP_kernel.Particle_swigregister(Particle)
5069 class _ParticleAdaptor(_InputAdaptor):
5070 r"""Proxy of C++ IMP::ParticleAdaptor class."""
5072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5073 __repr__ = _swig_repr
5075 def __init__(self, *args):
5077 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
5078 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
5079 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
5081 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
5083 def get_model(self):
5084 r"""get_model(_ParticleAdaptor self) -> Model"""
5085 return _IMP_kernel._ParticleAdaptor_get_model(self)
5087 def get_particle_index(self):
5088 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
5089 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
5090 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
5093 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
5094 class _DependencyGraphVertexIndex(object):
5095 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
5097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5098 __repr__ = _swig_repr
5101 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
5102 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
5103 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
5106 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
5108 def show_as_graphviz(name, out):
5109 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
5110 return _IMP_kernel.show_as_graphviz(name, out)
5112 def get_vertex_index(g):
5113 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
5114 return _IMP_kernel.get_vertex_index(g)
5117 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
5118 return _IMP_kernel.get_dependency_graph(m)
5121 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
5122 return _IMP_kernel.get_pruned_dependency_graph(m)
5124 def get_dependent_particles(p, all, dg, index):
5125 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
5126 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
5128 def get_required_score_states(*args):
5130 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
5131 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
5132 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
5134 return _IMP_kernel.get_required_score_states(*args)
5135 class ScoringFunction(ModelObject):
5136 r"""Proxy of C++ IMP::ScoringFunction class."""
5138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5140 def do_add_score_and_derivatives(self, sa, ss):
5141 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
5142 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
5144 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
5145 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)"""
5146 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
5148 def get_score_accumulator_if_below(self, deriv, max):
5149 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
5150 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
5152 def get_score_accumulator_if_good(self, deriv):
5153 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5154 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
5156 def get_score_accumulator(self, deriv):
5157 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5158 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
5160 def __init__(self, *args):
5162 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
5163 __init__(ScoringFunction self) -> ScoringFunction
5165 if self.__class__ == ScoringFunction:
5169 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
5171 if self.__class__ != ScoringFunction:
5172 _director_objects.register(self)
5177 def do_get_outputs(self):
5178 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5179 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
5181 def evaluate(self, derivatives):
5182 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
5183 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
5185 def evaluate_if_good(self, derivatives):
5186 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
5187 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
5189 def evaluate_if_below(self, derivatives, max):
5190 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
5191 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
5193 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
5194 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5195 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
5197 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
5198 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5199 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
5201 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
5202 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5203 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
5205 def get_had_good_score(self):
5206 r"""get_had_good_score(ScoringFunction self) -> bool"""
5207 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
5209 def get_last_score(self):
5210 r"""get_last_score(ScoringFunction self) -> double"""
5211 return _IMP_kernel.ScoringFunction_get_last_score(self)
5214 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
5215 return _IMP_kernel.ScoringFunction_create_restraints(self)
5217 def get_single_restraint(self):
5218 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
5219 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
5222 r"""__str__(ScoringFunction self) -> std::string"""
5223 return _IMP_kernel.ScoringFunction___str__(self)
5226 r"""__repr__(ScoringFunction self) -> std::string"""
5227 return _IMP_kernel.ScoringFunction___repr__(self)
5231 return _object_cast_to_ScoringFunction(o)
5234 def do_show(self, out):
5239 return _object_cast_to_ScoringFunction(o)
5243 r = self.get_single_restraint()
5245 raise NotImplementedError(f
"No JAX implementation for {self}")
5247 return r.get_derived_object()._get_jax()
5249 def _evaluate_jax(self):
5250 """Similar to evaluate(False), but using JAX.
5251 This is intended to be useful for testing purposes. It will likely
5252 not be particularly fast as it will copy the IMP Model and
5253 jax.jit-compile the scoring function each time."""
5255 ji = self._get_jax()
5256 jm = ji.get_jax_model()
5257 j = jax.jit(ji.score_func)
5260 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
5261 def __disown__(self):
5263 _IMP_kernel.disown_ScoringFunction(self)
5264 return weakref.proxy(self)
5267 r"""do_destroy(ScoringFunction self)"""
5268 return _IMP_kernel.ScoringFunction_do_destroy(self)
5270 def handle_set_has_required_score_states(self, arg0):
5271 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
5272 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
5274 def do_get_inputs(self):
5275 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5276 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
5278 def do_get_interactions(self):
5279 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
5280 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
5283 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
5287 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
5288 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
5290 return _IMP_kernel.create_decomposition(*args)
5291 class _ScoringFunctionAdaptor(_InputAdaptor):
5292 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
5294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5295 __repr__ = _swig_repr
5297 def __init__(self, *args):
5299 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
5300 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
5301 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
5302 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
5303 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
5305 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
5306 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
5309 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
5312 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
5313 return _IMP_kernel.show_restraint_hierarchy(*args)
5314 class Undecorator(
Object):
5315 r"""Proxy of C++ IMP::Undecorator class."""
5317 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5319 def __init__(self, m, name):
5320 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
5321 if self.__class__ == Undecorator:
5325 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
5327 if self.__class__ != Undecorator:
5328 _director_objects.register(self)
5333 def teardown(self, pi):
5334 r"""teardown(Undecorator self, ParticleIndex pi)"""
5335 return _IMP_kernel.Undecorator_teardown(self, pi)
5338 r"""__str__(Undecorator self) -> std::string"""
5339 return _IMP_kernel.Undecorator___str__(self)
5342 r"""__repr__(Undecorator self) -> std::string"""
5343 return _IMP_kernel.Undecorator___repr__(self)
5347 return _object_cast_to_Undecorator(o)
5350 def do_show(self, out):
5355 return _object_cast_to_Undecorator(o)
5357 __swig_destroy__ = _IMP_kernel.delete_Undecorator
5358 def __disown__(self):
5360 _IMP_kernel.disown_Undecorator(self)
5361 return weakref.proxy(self)
5364 r"""do_destroy(Undecorator self)"""
5365 return _IMP_kernel.Undecorator_do_destroy(self)
5368 _IMP_kernel.Undecorator_swigregister(Undecorator)
5370 r"""Proxy of C++ IMP::Model class."""
5372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5374 def __init__(self, *args):
5375 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
5376 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
5378 if self
not in _models_set:
5379 _models_set.add(self)
5384 def clear_particle_caches(self, pi):
5385 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
5386 return _IMP_kernel.Model_clear_particle_caches(self, pi)
5389 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
5390 return _IMP_kernel.Model_add_particle(self, name)
5392 def get_particle_name(self, pi):
5393 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
5394 return _IMP_kernel.Model_get_particle_name(self, pi)
5396 def add_undecorator(self, pi, d):
5397 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
5398 return _IMP_kernel.Model_add_undecorator(self, pi, d)
5400 def get_dependent_restraints_uncached(self, pi):
5401 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
5402 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
5404 def get_dependent_particles_uncached(self, pi):
5405 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
5406 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
5408 def get_dependent_score_states_uncached(self, pi):
5409 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
5410 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
5411 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)
5412 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
5413 def __del_score_states(self): _list_util.del_varlist(self.score_states)
5414 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
5416 def remove_score_state(self, d):
5417 r"""remove_score_state(Model self, ScoreState d)"""
5418 return _IMP_kernel.Model_remove_score_state(self, d)
5420 def _python_index_score_state(self, d, start, stop):
5421 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
5422 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
5424 def remove_score_states(self, d):
5425 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
5426 return _IMP_kernel.Model_remove_score_states(self, d)
5428 def set_score_states(self, ps):
5429 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
5430 return _IMP_kernel.Model_set_score_states(self, ps)
5432 def set_score_states_order(self, objs):
5433 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
5434 return _IMP_kernel.Model_set_score_states_order(self, objs)
5436 def add_score_state(self, obj):
5437 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
5438 return _IMP_kernel.Model_add_score_state(self, obj)
5440 def add_score_states(self, objs):
5441 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
5442 return _IMP_kernel.Model_add_score_states(self, objs)
5444 def clear_score_states(self):
5445 r"""clear_score_states(Model self)"""
5446 return _IMP_kernel.Model_clear_score_states(self)
5448 def get_number_of_score_states(self):
5449 r"""get_number_of_score_states(Model self) -> unsigned int"""
5450 return _IMP_kernel.Model_get_number_of_score_states(self)
5452 def get_has_score_states(self):
5453 r"""get_has_score_states(Model self) -> bool"""
5454 return _IMP_kernel.Model_get_has_score_states(self)
5456 def get_score_state(self, i):
5457 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
5458 return _IMP_kernel.Model_get_score_state(self, i)
5460 def get_score_states(self):
5461 r"""get_score_states(Model self) -> IMP::ScoreStates"""
5462 return _IMP_kernel.Model_get_score_states(self)
5464 def erase_score_state(self, i):
5465 r"""erase_score_state(Model self, unsigned int i)"""
5466 return _IMP_kernel.Model_erase_score_state(self, i)
5468 def reserve_score_states(self, sz):
5469 r"""reserve_score_states(Model self, unsigned int sz)"""
5470 return _IMP_kernel.Model_reserve_score_states(self, sz)
5473 r"""update(Model self)"""
5474 return _IMP_kernel.Model_update(self)
5476 def get_ordered_score_states(self):
5477 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
5478 return _IMP_kernel.Model_get_ordered_score_states(self)
5480 def add_cache_attribute(self, *args):
5482 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5483 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5484 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5485 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5486 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5487 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5488 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5489 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5490 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5491 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5493 return _IMP_kernel.Model_add_cache_attribute(self, *args)
5495 def add_attribute(self, *args):
5497 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5498 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5499 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5500 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5501 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5502 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5503 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5504 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5505 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5506 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5507 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5508 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5509 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5510 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5512 return _IMP_kernel.Model_add_attribute(self, *args)
5514 def remove_attribute(self, *args):
5516 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
5517 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
5518 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
5519 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
5520 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
5521 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
5522 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
5523 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
5524 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
5525 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
5526 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
5527 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
5528 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
5529 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
5531 return _IMP_kernel.Model_remove_attribute(self, *args)
5533 def get_has_attribute(self, *args):
5535 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
5536 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
5537 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
5538 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
5539 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
5540 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
5541 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
5542 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5543 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
5544 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
5545 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
5546 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
5547 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
5548 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5550 return _IMP_kernel.Model_get_has_attribute(self, *args)
5552 def set_attribute(self, *args):
5554 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5555 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5556 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5557 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5558 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5559 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5560 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5561 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5562 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5563 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5564 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5565 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5566 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5567 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5569 return _IMP_kernel.Model_set_attribute(self, *args)
5571 def get_attribute(self, *args):
5573 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5574 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
5575 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
5576 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> IMP::algebra::Vector3D
5577 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
5578 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
5579 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
5580 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5581 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
5582 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
5583 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
5584 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
5585 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5586 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5588 return _IMP_kernel.Model_get_attribute(self, *args)
5590 def set_is_optimized(self, arg2, arg3, arg4):
5591 r"""set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)"""
5592 return _IMP_kernel.Model_set_is_optimized(self, arg2, arg3, arg4)
5594 def add_to_derivative(self, k, particle, v, da):
5595 r"""add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)"""
5596 return _IMP_kernel.Model_add_to_derivative(self, k, particle, v, da)
5598 def get_particle(self, p):
5599 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
5600 return _IMP_kernel.Model_get_particle(self, p)
5602 def get_has_particle(self, p):
5603 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
5604 return _IMP_kernel.Model_get_has_particle(self, p)
5607 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
5608 return _IMP_kernel.Model_get_particle_indexes(self)
5610 def get_model_objects(self):
5611 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
5612 return _IMP_kernel.Model_get_model_objects(self)
5614 def remove_particle(self, pi):
5615 r"""remove_particle(Model self, ParticleIndex pi)"""
5616 return _IMP_kernel.Model_remove_particle(self, pi)
5618 def add_data(self, mk, o):
5619 r"""add_data(Model self, ModelKey mk, Object o)"""
5620 return _IMP_kernel.Model_add_data(self, mk, o)
5622 def get_data(self, mk):
5623 r"""get_data(Model self, ModelKey mk) -> Object"""
5624 return _IMP_kernel.Model_get_data(self, mk)
5626 def remove_data(self, mk):
5627 r"""remove_data(Model self, ModelKey mk)"""
5628 return _IMP_kernel.Model_remove_data(self, mk)
5630 def get_has_data(self, mk):
5631 r"""get_has_data(Model self, ModelKey mk) -> bool"""
5632 return _IMP_kernel.Model_get_has_data(self, mk)
5635 r"""get_age(Model self) -> unsigned int"""
5636 return _IMP_kernel.Model_get_age(self)
5638 def get_trigger_last_updated(self, tk):
5639 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
5640 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
5642 def set_trigger_updated(self, tk):
5643 r"""set_trigger_updated(Model self, TriggerKey tk)"""
5644 return _IMP_kernel.Model_set_trigger_updated(self, tk)
5646 def get_dependencies_updated(self):
5647 r"""get_dependencies_updated(Model self) -> unsigned int"""
5648 return _IMP_kernel.Model_get_dependencies_updated(self)
5650 def get_removed_particles_attributes_age(self):
5651 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
5652 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
5654 def save_dependencies(self):
5655 r"""save_dependencies(Model self)"""
5656 return _IMP_kernel.Model_save_dependencies(self)
5658 def restore_dependencies(self):
5659 r"""restore_dependencies(Model self)"""
5660 return _IMP_kernel.Model_restore_dependencies(self)
5662 def get_particles_size(self):
5663 r"""get_particles_size(Model self) -> unsigned int"""
5664 return _IMP_kernel.Model_get_particles_size(self)
5666 def get_unique_id(self):
5667 r"""get_unique_id(Model self) -> uint32_t"""
5668 return _IMP_kernel.Model_get_unique_id(self)
5671 def get_by_unique_id(id):
5672 r"""get_by_unique_id(uint32_t id) -> Model"""
5673 return _IMP_kernel.Model_get_by_unique_id(id)
5676 r"""get_version_info(Model self) -> VersionInfo"""
5677 return _IMP_kernel.Model_get_version_info(self)
5678 __swig_destroy__ = _IMP_kernel.delete_Model
5680 r"""__del__(Model self)"""
5682 _director_objects.cleanup()
5689 r"""do_destroy(Model self)"""
5690 return _IMP_kernel.Model_do_destroy(self)
5693 r"""__str__(Model self) -> std::string"""
5694 return _IMP_kernel.Model___str__(self)
5697 r"""__repr__(Model self) -> std::string"""
5698 return _IMP_kernel.Model___repr__(self)
5702 return _object_cast_to_Model(o)
5705 def _get_as_binary(self):
5706 r"""_get_as_binary(Model self) -> PyObject *"""
5707 return _IMP_kernel.Model__get_as_binary(self)
5709 def _set_from_binary(self, p):
5710 r"""_set_from_binary(Model self, PyObject * p)"""
5711 return _IMP_kernel.Model__set_from_binary(self, p)
5713 def __getstate__(self):
5714 p = self._get_as_binary()
5715 if len(self.__dict__) > 1:
5716 d = self.__dict__.copy()
5721 def __setstate__(self, p):
5722 if not hasattr(self,
'this'):
5724 if isinstance(p, tuple):
5726 self.__dict__.update(d)
5727 return self._set_from_binary(p)
5731 """Get the model's attribute array for IntKey k as a NumPy array.
5732 The array is indexed by ParticleIndex; particles that don't have
5733 this attribute will either be off the end of the array or will have
5735 This is a NumPy view that shares memory with the Model. Thus,
5736 any changes to values in this list will be reflected in the Model.
5737 Also, if the Model attribute array moves in memory (e.g. if particles
5738 or attributes are added) this array will be invalidated, so it is
5739 unsafe to keep it around long term.
5740 If read_only is set True, values in the array cannot be changed.
5742 return _get_ints_numpy(self, k, self, read_only)
5745 """Get the model's attribute array for any type of Key
5746 k as a NumPy array. See Model::get_ints_numpy() for more details."""
5747 _numpy_meth_map = {IntKey: _get_ints_numpy,
5748 FloatKey: _get_floats_numpy,
5749 Vector3DKey: _get_vector3ds_numpy}
5750 return _numpy_meth_map[type(k)](self, k, self, read_only)
5753 """Get the model's attribute array for FloatKey k as a NumPy array.
5754 See Model::get_ints_numpy() for more details."""
5755 return _get_floats_numpy(self, k, self, read_only)
5758 """Get the model's attribute derivatives array for FloatKey k
5759 as a NumPy array. See Model::get_ints_numpy() for more details."""
5760 return _get_derivatives_numpy(self, k, self, read_only)
5763 """Get the model's attribute array for Vector3DKey k as a NumPy array.
5764 See Model::get_ints_numpy() for more details."""
5765 return _get_vector3ds_numpy(self, k, self, read_only)
5768 """Get the model's XYZR attribute arrays as NumPy arrays.
5769 The attribute arrays for Cartesian coordinates and radii are
5770 stored separately from those for other FloatKeys. This function
5771 returns a tuple of two NumPy arrays, the first of coordinates and
5772 the second of radii. See Model::get_ints_numpy() for more details."""
5773 return _get_spheres_numpy(self, self, read_only)
5776 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
5777 See Model::get_ints_numpy() for more details."""
5778 return _get_sphere_derivatives_numpy(self, self, read_only)
5781 """Get the model's internal coordinate array as a NumPy array.
5782 The attribute arrays for rigid body internal coordinates are
5783 stored separately from those for other FloatKeys.
5784 See Model::get_ints_numpy() for more details."""
5785 return _get_internal_coordinates_numpy(self, self, read_only)
5788 """Get the model's internal coordinate derivative array as a
5790 See Model::get_ints_numpy() for more details."""
5791 return _get_internal_coordinate_derivatives_numpy(
5792 self, self, read_only)
5796 _IMP_kernel.Model_swigregister(Model)
5798 r"""Proxy of C++ IMP::Decorator class."""
5800 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5801 __repr__ = _swig_repr
5803 def __init__(self, p):
5804 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
5805 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
5807 def __ne__(self, o):
5808 r"""__ne__(Decorator self, Object o) -> bool"""
5809 return _IMP_kernel.Decorator___ne__(self, o)
5811 def __lt__(self, o):
5812 r"""__lt__(Decorator self, Object o) -> bool"""
5813 return _IMP_kernel.Decorator___lt__(self, o)
5815 def __gt__(self, o):
5816 r"""__gt__(Decorator self, Object o) -> bool"""
5817 return _IMP_kernel.Decorator___gt__(self, o)
5819 def __ge__(self, o):
5820 r"""__ge__(Decorator self, Object o) -> bool"""
5821 return _IMP_kernel.Decorator___ge__(self, o)
5823 def __le__(self, o):
5824 r"""__le__(Decorator self, Object o) -> bool"""
5825 return _IMP_kernel.Decorator___le__(self, o)
5828 r"""get_particle(Decorator self) -> Particle"""
5829 return _IMP_kernel.Decorator_get_particle(self)
5831 def get_particle_index(self):
5832 r"""get_particle_index(Decorator self) -> ParticleIndex"""
5833 return _IMP_kernel.Decorator_get_particle_index(self)
5835 def get_model(self):
5836 m = _IMP_kernel.Decorator_get_model(self)
5837 if m
in _models_set:
5838 m = _models_set_get(m)
5843 def get_is_valid(self):
5844 r"""get_is_valid(Decorator self) -> bool"""
5845 return _IMP_kernel.Decorator_get_is_valid(self)
5848 r"""__hash__(Decorator self) -> std::size_t"""
5849 return _IMP_kernel.Decorator___hash__(self)
5851 def __eq__(self, *args):
5853 __eq__(Decorator self, Object o) -> bool
5854 __eq__(Decorator self, Decorator o) -> bool
5855 __eq__(Decorator self, Particle o) -> bool
5857 return _IMP_kernel.Decorator___eq__(self, *args)
5860 r"""__bool__(Decorator self) -> bool"""
5861 return _IMP_kernel.Decorator___bool__(self)
5862 __swig_destroy__ = _IMP_kernel.delete_Decorator
5865 _IMP_kernel.Decorator_swigregister(Decorator)
5867 def check_particle(m, pi):
5868 r"""check_particle(Model m, ParticleIndex pi)"""
5869 return _IMP_kernel.check_particle(m, pi)
5871 r"""Proxy of C++ IMP::UnaryFunction class."""
5873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5875 def __init__(self, *args):
5876 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
5877 if self.__class__ == UnaryFunction:
5881 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
5883 if self.__class__ != UnaryFunction:
5884 _director_objects.register(self)
5889 def evaluate(self, feature):
5890 r"""evaluate(UnaryFunction self, double feature) -> double"""
5891 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
5893 def evaluate_with_derivative(self, feature):
5894 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
5895 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
5896 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
5899 r"""__str__(UnaryFunction self) -> std::string"""
5900 return _IMP_kernel.UnaryFunction___str__(self)
5903 r"""__repr__(UnaryFunction self) -> std::string"""
5904 return _IMP_kernel.UnaryFunction___repr__(self)
5908 return _object_cast_to_UnaryFunction(o)
5911 def do_show(self, out):
5916 return _object_cast_to_UnaryFunction(o)
5920 """Return a JAX implementation of this UnaryFunction.
5921 Implement this method in a UnaryFunction subclass to provide
5922 an equivalent function using [JAX](https://docs.jax.dev/)
5923 that scores the provided feature value.
5925 raise NotImplementedError(f
"No JAX implementation for {self}")
5927 def __disown__(self):
5929 _IMP_kernel.disown_UnaryFunction(self)
5930 return weakref.proxy(self)
5933 r"""do_destroy(UnaryFunction self)"""
5934 return _IMP_kernel.UnaryFunction_do_destroy(self)
5937 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
5939 r"""Proxy of C++ IMP::OptimizerState class."""
5941 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5943 def __init__(self, *args):
5945 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
5946 __init__(OptimizerState self) -> OptimizerState
5948 if self.__class__ == OptimizerState:
5952 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
5954 if self.__class__ != OptimizerState:
5955 _director_objects.register(self)
5961 r"""update(OptimizerState self)"""
5962 return _IMP_kernel.OptimizerState_update(self)
5964 def set_is_optimizing(self, arg0):
5965 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
5966 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
5968 def get_optimizer(self):
5969 r"""get_optimizer(OptimizerState self) -> Optimizer"""
5970 return _IMP_kernel.OptimizerState_get_optimizer(self)
5972 def set_period(self, p):
5973 r"""set_period(OptimizerState self, unsigned int p)"""
5974 return _IMP_kernel.OptimizerState_set_period(self, p)
5976 def get_period(self):
5977 r"""get_period(OptimizerState self) -> unsigned int"""
5978 return _IMP_kernel.OptimizerState_get_period(self)
5981 r"""reset(OptimizerState self)"""
5982 return _IMP_kernel.OptimizerState_reset(self)
5984 def update_always(self):
5985 r"""update_always(OptimizerState self)"""
5986 return _IMP_kernel.OptimizerState_update_always(self)
5988 def get_number_of_updates(self):
5989 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
5990 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
5992 def set_number_of_updates(self, n):
5993 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
5994 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
5995 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
5997 def do_update(self, arg0):
5998 r"""do_update(OptimizerState self, unsigned int arg0)"""
5999 return _IMP_kernel.OptimizerState_do_update(self, arg0)
6001 def do_set_is_optimizing(self, arg0):
6002 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
6003 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
6005 def do_get_inputs(self):
6006 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6007 return _IMP_kernel.OptimizerState_do_get_inputs(self)
6009 def do_get_outputs(self):
6010 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6011 return _IMP_kernel.OptimizerState_do_get_outputs(self)
6014 r"""__str__(OptimizerState self) -> std::string"""
6015 return _IMP_kernel.OptimizerState___str__(self)
6018 r"""__repr__(OptimizerState self) -> std::string"""
6019 return _IMP_kernel.OptimizerState___repr__(self)
6023 return _object_cast_to_OptimizerState(o)
6026 def do_show(self, out):
6031 return _object_cast_to_OptimizerState(o)
6034 def _get_jax(self, state_index):
6035 """Add JAX support for this OptimizerState.
6037 Each OptimizerState must explicitly support how it is going to
6038 be called when the Optimizer is run via JAX.
6040 OptimizerStates can run as traditional IMP CPU code
6041 on the IMP Model object, in which case None should be returned here.
6042 The Optimizer will sync any necessary information from JAX back
6043 with the IMP Model before calling the OptimizerState. However,
6044 the OptimizerState is not permitted to modify the Model; any
6045 changes will not be propagated back to the Optimizer.
6046 (For example, a thermostat which tries to change particle
6047 velocities will not function correctly.)
6049 Alternatively, a pure JAX implementation can be provided.
6050 See _wrap_jax for more information.
6052 raise NotImplementedError(f
"No JAX implementation for {self}")
6054 def _wrap_jax(self, init_func, apply_func):
6055 """Create the return value for _get_jax.
6056 Use this method in _get_jax() to wrap the JAX function
6057 with other OptimizerState-specific information.
6059 @param init_func a JAX function which, given a JAX Optimizer,
6060 does any necessary setup and returns a (possibly modified)
6061 JAX Optimizer. If any OptimizerState-specific
6062 persistent state is needed, it can be stored in
6063 `opt.optimizer_states[state_index]` and later retrieved or
6064 modified in apply_func.
6065 @param apply_func a JAX function which, given a JAX Optimizer,
6066 does the JAX equivalent of do_update() and returns a new
6069 from IMP._jax_util
import JAXOptimizerStateInfo
6070 return JAXOptimizerStateInfo(self, init_func, apply_func)
6072 def __disown__(self):
6074 _IMP_kernel.disown_OptimizerState(self)
6075 return weakref.proxy(self)
6078 r"""do_destroy(OptimizerState self)"""
6079 return _IMP_kernel.OptimizerState_do_destroy(self)
6081 def handle_set_has_required_score_states(self, arg0):
6082 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
6083 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
6085 def do_get_interactions(self):
6086 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
6087 return _IMP_kernel.OptimizerState_do_get_interactions(self)
6090 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
6092 r"""Proxy of C++ IMP::Refiner class."""
6094 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6096 def __init__(self, *args):
6097 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
6098 if self.__class__ == Refiner:
6102 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
6104 if self.__class__ != Refiner:
6105 _director_objects.register(self)
6110 def get_can_refine(self, arg0):
6111 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
6112 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
6114 def get_refined_indexes(self, m, pi):
6115 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
6116 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
6118 def get_refined_indexes_by_ref(self, m, pi):
6119 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
6120 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
6122 def get_is_by_ref_supported(self):
6123 r"""get_is_by_ref_supported(Refiner self) -> bool"""
6124 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
6126 def get_refined(self, *args):
6128 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
6129 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
6131 return _IMP_kernel.Refiner_get_refined(self, *args)
6133 def get_number_of_refined(self, a):
6134 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
6135 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
6138 r"""__str__(Refiner self) -> std::string"""
6139 return _IMP_kernel.Refiner___str__(self)
6142 r"""__repr__(Refiner self) -> std::string"""
6143 return _IMP_kernel.Refiner___repr__(self)
6147 return _object_cast_to_Refiner(o)
6150 def do_show(self, out):
6155 return _object_cast_to_Refiner(o)
6157 __swig_destroy__ = _IMP_kernel.delete_Refiner
6158 def __disown__(self):
6160 _IMP_kernel.disown_Refiner(self)
6161 return weakref.proxy(self)
6163 def do_get_inputs(self, m, pis):
6164 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6165 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
6168 r"""do_destroy(Refiner self)"""
6169 return _IMP_kernel.Refiner_do_destroy(self)
6172 _IMP_kernel.Refiner_swigregister(Refiner)
6174 r"""Proxy of C++ IMP::Optimizer class."""
6176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6178 def set_is_optimizing_states(self, tf):
6179 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
6180 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
6182 def get_optimizer_state_inputs(self):
6183 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6184 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
6186 def do_get_inputs(self):
6187 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6188 return _IMP_kernel.Optimizer_do_get_inputs(self)
6190 def do_get_outputs(self):
6191 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6192 return _IMP_kernel.Optimizer_do_get_outputs(self)
6194 def __init__(self, *args):
6196 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
6197 __init__(Optimizer self) -> Optimizer
6199 if self.__class__ == Optimizer:
6203 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
6205 if self.__class__ != Optimizer:
6206 _director_objects.register(self)
6211 def optimize(self, max_steps):
6212 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
6213 return _IMP_kernel.Optimizer_optimize(self, max_steps)
6215 def set_stop_on_good_score(self, tf):
6216 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
6217 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
6219 def get_stop_on_good_score(self):
6220 r"""get_stop_on_good_score(Optimizer self) -> bool"""
6221 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
6223 def get_last_score(self):
6224 r"""get_last_score(Optimizer self) -> double"""
6225 return _IMP_kernel.Optimizer_get_last_score(self)
6227 def get_scoring_function(self):
6228 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
6229 return _IMP_kernel.Optimizer_get_scoring_function(self)
6230 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)
6231 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
6232 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
6233 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
6235 def remove_optimizer_state(self, d):
6236 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
6237 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
6239 def _python_index_optimizer_state(self, d, start, stop):
6240 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
6241 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
6243 def remove_optimizer_states(self, d):
6244 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
6245 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
6247 def set_optimizer_states(self, ps):
6248 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
6249 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
6251 def set_optimizer_states_order(self, objs):
6252 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
6253 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
6255 def add_optimizer_state(self, obj):
6256 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
6257 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
6259 def add_optimizer_states(self, objs):
6260 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
6261 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
6263 def clear_optimizer_states(self):
6264 r"""clear_optimizer_states(Optimizer self)"""
6265 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
6267 def get_number_of_optimizer_states(self):
6268 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
6269 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
6271 def get_has_optimizer_states(self):
6272 r"""get_has_optimizer_states(Optimizer self) -> bool"""
6273 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
6275 def get_optimizer_state(self, i):
6276 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
6277 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
6279 def get_optimizer_states(self):
6280 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
6281 return _IMP_kernel.Optimizer_get_optimizer_states(self)
6283 def erase_optimizer_state(self, i):
6284 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
6285 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
6287 def reserve_optimizer_states(self, sz):
6288 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
6289 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
6291 def set_scoring_function(self, sf):
6292 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
6293 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
6294 __swig_destroy__ = _IMP_kernel.delete_Optimizer
6296 r"""__del__(Optimizer self)"""
6298 _director_objects.cleanup()
6304 def do_optimize(self, ns):
6305 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
6306 return _IMP_kernel.Optimizer_do_optimize(self, ns)
6308 def update_states(self):
6309 r"""update_states(Optimizer self)"""
6310 return _IMP_kernel.Optimizer_update_states(self)
6313 r"""__str__(Optimizer self) -> std::string"""
6314 return _IMP_kernel.Optimizer___str__(self)
6317 r"""__repr__(Optimizer self) -> std::string"""
6318 return _IMP_kernel.Optimizer___repr__(self)
6322 return _object_cast_to_Optimizer(o)
6325 def do_show(self, out):
6330 return _object_cast_to_Optimizer(o)
6332 def __disown__(self):
6334 _IMP_kernel.disown_Optimizer(self)
6335 return weakref.proxy(self)
6338 r"""do_destroy(Optimizer self)"""
6339 return _IMP_kernel.Optimizer_do_destroy(self)
6341 def handle_set_has_required_score_states(self, arg0):
6342 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
6343 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
6345 def do_get_interactions(self):
6346 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
6347 return _IMP_kernel.Optimizer_do_get_interactions(self)
6350 _IMP_kernel.Optimizer_swigregister(Optimizer)
6352 r"""Proxy of C++ IMP::AttributeOptimizer class."""
6354 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6356 def __init__(self, *args):
6358 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
6359 __init__(AttributeOptimizer self) -> AttributeOptimizer
6361 if self.__class__ == AttributeOptimizer:
6365 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
6367 if self.__class__ != AttributeOptimizer:
6368 _director_objects.register(self)
6373 def get_optimized_attributes(self):
6374 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
6375 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
6377 def set_value(self, fi, v):
6378 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
6379 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
6381 def get_value(self, fi):
6382 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6383 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
6385 def get_derivative(self, fi):
6386 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6387 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
6389 def get_width(self, k):
6390 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
6391 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
6393 def set_scaled_value(self, fi, v):
6394 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
6395 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
6397 def get_scaled_value(self, fi):
6398 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
6399 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
6401 def get_scaled_derivative(self, fi):
6402 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
6403 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
6405 def clear_range_cache(self):
6406 r"""clear_range_cache(AttributeOptimizer self)"""
6407 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
6410 r"""__str__(AttributeOptimizer self) -> std::string"""
6411 return _IMP_kernel.AttributeOptimizer___str__(self)
6414 r"""__repr__(AttributeOptimizer self) -> std::string"""
6415 return _IMP_kernel.AttributeOptimizer___repr__(self)
6419 return _object_cast_to_AttributeOptimizer(o)
6422 def do_show(self, out):
6427 return _object_cast_to_AttributeOptimizer(o)
6429 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
6430 def __disown__(self):
6432 _IMP_kernel.disown_AttributeOptimizer(self)
6433 return weakref.proxy(self)
6436 r"""do_destroy(AttributeOptimizer self)"""
6437 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
6439 def handle_set_has_required_score_states(self, arg0):
6440 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
6441 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
6443 def do_get_inputs(self):
6444 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6445 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
6447 def do_get_outputs(self):
6448 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6449 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
6451 def do_get_interactions(self):
6452 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
6453 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
6455 def do_optimize(self, ns):
6456 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
6457 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
6460 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
6462 r"""Proxy of C++ IMP::ConfigurationSet class."""
6464 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6466 def __init__(self, *args):
6467 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
6468 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
6470 def save_configuration(self):
6471 r"""save_configuration(ConfigurationSet self)"""
6472 return _IMP_kernel.ConfigurationSet_save_configuration(self)
6474 def get_number_of_configurations(self):
6475 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
6476 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
6478 def load_configuration(self, i):
6479 r"""load_configuration(ConfigurationSet self, int i)"""
6480 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
6482 def remove_configuration(self, i):
6483 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
6484 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
6486 def get_model(self):
6487 r"""get_model(ConfigurationSet self) -> Model"""
6488 return _IMP_kernel.ConfigurationSet_get_model(self)
6491 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
6492 return _IMP_kernel.ConfigurationSet_get_version_info(self)
6493 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
6496 r"""__str__(ConfigurationSet self) -> std::string"""
6497 return _IMP_kernel.ConfigurationSet___str__(self)
6500 r"""__repr__(ConfigurationSet self) -> std::string"""
6501 return _IMP_kernel.ConfigurationSet___repr__(self)
6505 return _object_cast_to_ConfigurationSet(o)
6509 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
6511 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
6513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6515 def __init__(self, cs):
6516 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
6517 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
6520 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
6521 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
6522 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
6525 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6526 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
6529 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6530 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
6534 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
6538 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
6540 r"""Proxy of C++ IMP::Configuration class."""
6542 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6544 def __init__(self, *args):
6546 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
6547 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
6549 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
6551 def load_configuration(self):
6552 r"""load_configuration(Configuration self)"""
6553 return _IMP_kernel.Configuration_load_configuration(self)
6555 def swap_configuration(self):
6556 r"""swap_configuration(Configuration self)"""
6557 return _IMP_kernel.Configuration_swap_configuration(self)
6560 r"""get_version_info(Configuration self) -> VersionInfo"""
6561 return _IMP_kernel.Configuration_get_version_info(self)
6562 __swig_destroy__ = _IMP_kernel.delete_Configuration
6565 r"""__str__(Configuration self) -> std::string"""
6566 return _IMP_kernel.Configuration___str__(self)
6569 r"""__repr__(Configuration self) -> std::string"""
6570 return _IMP_kernel.Configuration___repr__(self)
6574 return _object_cast_to_Configuration(o)
6578 _IMP_kernel.Configuration_swigregister(Configuration)
6580 r"""Proxy of C++ IMP::Sampler class."""
6582 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6584 def __init__(self, *args):
6585 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
6586 if self.__class__ == Sampler:
6590 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
6592 if self.__class__ != Sampler:
6593 _director_objects.register(self)
6598 def create_sample(self):
6599 r"""create_sample(Sampler self) -> ConfigurationSet"""
6600 return _IMP_kernel.Sampler_create_sample(self)
6602 def get_scoring_function(self):
6603 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
6604 return _IMP_kernel.Sampler_get_scoring_function(self)
6606 def set_scoring_function(self, sf):
6607 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
6608 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
6610 def get_model(self):
6611 r"""get_model(Sampler self) -> Model"""
6612 return _IMP_kernel.Sampler_get_model(self)
6614 def do_sample(self):
6615 r"""do_sample(Sampler self) -> ConfigurationSet"""
6616 return _IMP_kernel.Sampler_do_sample(self)
6617 __swig_destroy__ = _IMP_kernel.delete_Sampler
6620 r"""__str__(Sampler self) -> std::string"""
6621 return _IMP_kernel.Sampler___str__(self)
6624 r"""__repr__(Sampler self) -> std::string"""
6625 return _IMP_kernel.Sampler___repr__(self)
6629 return _object_cast_to_Sampler(o)
6632 def do_show(self, out):
6637 return _object_cast_to_Sampler(o)
6639 def __disown__(self):
6641 _IMP_kernel.disown_Sampler(self)
6642 return weakref.proxy(self)
6645 r"""do_destroy(Sampler self)"""
6646 return _IMP_kernel.Sampler_do_destroy(self)
6649 _IMP_kernel.Sampler_swigregister(Sampler)
6651 r"""Proxy of C++ IMP::PairModifier class."""
6653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6655 def __init__(self, *args):
6656 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
6657 if self.__class__ == PairModifier:
6661 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
6663 if self.__class__ != PairModifier:
6664 _director_objects.register(self)
6669 def apply_index(self, m, v):
6670 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
6671 return _IMP_kernel.PairModifier_apply_index(self, m, v)
6673 def apply_indexes(self, m, o, lower_bound, upper_bound):
6674 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
6675 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
6677 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
6678 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)"""
6679 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
6682 r"""__str__(PairModifier self) -> std::string"""
6683 return _IMP_kernel.PairModifier___str__(self)
6686 r"""__repr__(PairModifier self) -> std::string"""
6687 return _IMP_kernel.PairModifier___repr__(self)
6691 return _object_cast_to_PairModifier(o)
6694 def do_show(self, out):
6699 return _object_cast_to_PairModifier(o)
6701 __swig_destroy__ = _IMP_kernel.delete_PairModifier
6702 def __disown__(self):
6704 _IMP_kernel.disown_PairModifier(self)
6705 return weakref.proxy(self)
6707 def do_get_inputs(self, m, pis):
6708 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6709 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
6711 def do_get_outputs(self, m, pis):
6712 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6713 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
6716 r"""do_destroy(PairModifier self)"""
6717 return _IMP_kernel.PairModifier_do_destroy(self)
6720 _IMP_kernel.PairModifier_swigregister(PairModifier)
6722 r"""Proxy of C++ IMP::PairScore class."""
6724 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6726 def __init__(self, *args):
6727 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
6728 if self.__class__ == PairScore:
6732 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
6734 if self.__class__ != PairScore:
6735 _director_objects.register(self)
6740 def evaluate_index(self, m, vt, da):
6741 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
6742 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
6744 def check_indexes(self, m, pis):
6745 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
6746 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
6748 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
6749 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"""
6750 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
6752 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6753 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"""
6754 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
6756 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
6757 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"""
6758 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
6760 def evaluate_if_good_index(self, m, vt, da, max):
6761 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
6762 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
6764 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6765 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"""
6766 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
6768 def create_current_decomposition(self, m, vt):
6769 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6770 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
6772 def do_create_current_decomposition(self, m, vt):
6773 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6774 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
6775 __swig_destroy__ = _IMP_kernel.delete_PairScore
6778 r"""__str__(PairScore self) -> std::string"""
6779 return _IMP_kernel.PairScore___str__(self)
6782 r"""__repr__(PairScore self) -> std::string"""
6783 return _IMP_kernel.PairScore___repr__(self)
6787 return _object_cast_to_PairScore(o)
6790 def do_show(self, out):
6795 return _object_cast_to_PairScore(o)
6798 def _wrap_jax(self, m, score_func, keys=None):
6799 """Create the return value for _get_jax.
6800 Use this method in _get_jax() to wrap the JAX scoring function
6801 with other score-specific information.
6803 @param m The IMP.Model that the score will act on.
6804 @param score_func A function implemented using JAX that takes
6805 one argument (the current JAX Model) and returns the total
6807 @param keys Model attributes used by the PairScore.
6808 See IMP::Restraint::_wrap_jax.
6810 from IMP._jax_util
import JAXScoreInfo
6811 return JAXScoreInfo(m, score_func=score_func, keys=keys)
6813 def _get_jax(self, m, indexes):
6814 """Return a JAX implementation of this PairScore.
6815 Implement this method in a PairScore subclass to provide
6816 an equivalent function using [JAX](https://docs.jax.dev/)
6817 that scores the current JAX Model with a given set of
6818 ParticlePairIndexes. See also _wrap_jax.
6820 @param m The IMP.Model that the score will act on.
6821 @param indexes The ParticlePairIndexes that the score will act on.
6823 raise NotImplementedError(f
"No JAX implementation for {self}")
6825 def __disown__(self):
6827 _IMP_kernel.disown_PairScore(self)
6828 return weakref.proxy(self)
6830 def do_get_inputs(self, m, pis):
6831 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6832 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
6835 r"""do_destroy(PairScore self)"""
6836 return _IMP_kernel.PairScore_do_destroy(self)
6839 _IMP_kernel.PairScore_swigregister(PairScore)
6841 r"""Proxy of C++ IMP::PairPredicate class."""
6843 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6845 def __init__(self, *args):
6846 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
6847 if self.__class__ == PairPredicate:
6851 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
6853 if self.__class__ != PairPredicate:
6854 _director_objects.register(self)
6859 def setup_for_get_value_index_in_batch(self, arg0):
6860 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
6861 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
6863 def get_value_index_in_batch(self, m, vt):
6864 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6865 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
6867 def __call__(self, m, vt):
6868 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6869 return _IMP_kernel.PairPredicate___call__(self, m, vt)
6871 def get_value_index(self, *args):
6873 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
6874 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6876 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
6877 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
6880 r"""__str__(PairPredicate self) -> std::string"""
6881 return _IMP_kernel.PairPredicate___str__(self)
6884 r"""__repr__(PairPredicate self) -> std::string"""
6885 return _IMP_kernel.PairPredicate___repr__(self)
6889 return _object_cast_to_PairPredicate(o)
6892 def do_show(self, out):
6897 return _object_cast_to_PairPredicate(o)
6899 def __disown__(self):
6901 _IMP_kernel.disown_PairPredicate(self)
6902 return weakref.proxy(self)
6904 def do_get_inputs(self, m, pis):
6905 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6906 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
6909 r"""do_destroy(PairPredicate self)"""
6910 return _IMP_kernel.PairPredicate_do_destroy(self)
6913 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
6915 r"""Proxy of C++ IMP::PairContainer class."""
6917 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6919 def apply_generic(self, m):
6920 r"""apply_generic(PairContainer self, PairModifier m)"""
6921 return _IMP_kernel.PairContainer_apply_generic(self, m)
6923 def apply_generic_moved(self, m, moved_pis, reset_pis):
6924 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6925 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
6927 def apply(self, sm):
6928 r"""apply(PairContainer self, PairModifier sm)"""
6929 return _IMP_kernel.PairContainer_apply(self, sm)
6931 def apply_moved(self, sm, moved_pis, reset_pis):
6932 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6933 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
6935 def get_range_indexes(self):
6936 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6937 return _IMP_kernel.PairContainer_get_range_indexes(self)
6939 def get_contents(self):
6940 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
6941 return _IMP_kernel.PairContainer_get_contents(self)
6944 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6945 return _IMP_kernel.PairContainer_get_indexes(self)
6947 def get(self, *args):
6949 get(PairContainer self) -> IMP::ParticlePairsTemp
6950 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
6952 return _IMP_kernel.PairContainer_get(self, *args)
6954 def get_number(self):
6955 r"""get_number(PairContainer self) -> unsigned int"""
6956 return _IMP_kernel.PairContainer_get_number(self)
6958 def __init__(self, *args):
6960 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
6961 __init__(PairContainer self) -> PairContainer
6963 if self.__class__ == PairContainer:
6967 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
6969 if self.__class__ != PairContainer:
6970 _director_objects.register(self)
6975 def do_apply(self, sm):
6976 r"""do_apply(PairContainer self, PairModifier sm)"""
6977 return _IMP_kernel.PairContainer_do_apply(self, sm)
6979 def do_apply_moved(self, sm, moved_pis, reset_pis):
6980 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6981 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
6983 def do_get_provides_access(self):
6984 r"""do_get_provides_access(PairContainer self) -> bool"""
6985 return _IMP_kernel.PairContainer_do_get_provides_access(self)
6986 __swig_destroy__ = _IMP_kernel.delete_PairContainer
6989 r"""__str__(PairContainer self) -> std::string"""
6990 return _IMP_kernel.PairContainer___str__(self)
6993 r"""__repr__(PairContainer self) -> std::string"""
6994 return _IMP_kernel.PairContainer___repr__(self)
6998 return _object_cast_to_PairContainer(o)
7001 def do_show(self, out):
7006 return _object_cast_to_PairContainer(o)
7008 def __disown__(self):
7010 _IMP_kernel.disown_PairContainer(self)
7011 return weakref.proxy(self)
7014 r"""do_destroy(PairContainer self)"""
7015 return _IMP_kernel.PairContainer_do_destroy(self)
7017 def handle_set_has_required_score_states(self, arg0):
7018 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
7019 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
7021 def do_get_inputs(self):
7022 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
7023 return _IMP_kernel.PairContainer_do_get_inputs(self)
7025 def do_get_interactions(self):
7026 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
7027 return _IMP_kernel.PairContainer_do_get_interactions(self)
7029 def do_get_contents_hash(self):
7030 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
7031 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
7034 _IMP_kernel.PairContainer_swigregister(PairContainer)
7035 class _PairContainerAdaptor(_InputAdaptor):
7036 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
7038 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7039 __repr__ = _swig_repr
7041 def __init__(self, *args):
7043 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
7044 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
7045 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
7047 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
7049 def set_name_if_default(self, name):
7050 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
7051 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
7052 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
7055 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
7057 r"""Proxy of C++ IMP::QuadModifier class."""
7059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7061 def __init__(self, *args):
7062 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
7063 if self.__class__ == QuadModifier:
7067 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
7069 if self.__class__ != QuadModifier:
7070 _director_objects.register(self)
7075 def apply_index(self, m, v):
7076 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
7077 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
7079 def apply_indexes(self, m, o, lower_bound, upper_bound):
7080 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7081 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7083 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7084 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)"""
7085 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7088 r"""__str__(QuadModifier self) -> std::string"""
7089 return _IMP_kernel.QuadModifier___str__(self)
7092 r"""__repr__(QuadModifier self) -> std::string"""
7093 return _IMP_kernel.QuadModifier___repr__(self)
7097 return _object_cast_to_QuadModifier(o)
7100 def do_show(self, out):
7105 return _object_cast_to_QuadModifier(o)
7107 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
7108 def __disown__(self):
7110 _IMP_kernel.disown_QuadModifier(self)
7111 return weakref.proxy(self)
7113 def do_get_inputs(self, m, pis):
7114 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7115 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
7117 def do_get_outputs(self, m, pis):
7118 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7119 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
7122 r"""do_destroy(QuadModifier self)"""
7123 return _IMP_kernel.QuadModifier_do_destroy(self)
7126 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
7128 r"""Proxy of C++ IMP::QuadScore class."""
7130 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7132 def __init__(self, *args):
7133 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
7134 if self.__class__ == QuadScore:
7138 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
7140 if self.__class__ != QuadScore:
7141 _director_objects.register(self)
7146 def evaluate_index(self, m, vt, da):
7147 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
7148 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
7150 def check_indexes(self, m, pis):
7151 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7152 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
7154 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7155 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"""
7156 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7158 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7159 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"""
7160 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7162 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7163 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"""
7164 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7166 def evaluate_if_good_index(self, m, vt, da, max):
7167 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
7168 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
7170 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7171 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"""
7172 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7174 def create_current_decomposition(self, m, vt):
7175 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7176 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
7178 def do_create_current_decomposition(self, m, vt):
7179 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7180 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
7181 __swig_destroy__ = _IMP_kernel.delete_QuadScore
7184 r"""__str__(QuadScore self) -> std::string"""
7185 return _IMP_kernel.QuadScore___str__(self)
7188 r"""__repr__(QuadScore self) -> std::string"""
7189 return _IMP_kernel.QuadScore___repr__(self)
7193 return _object_cast_to_QuadScore(o)
7196 def do_show(self, out):
7201 return _object_cast_to_QuadScore(o)
7203 def __disown__(self):
7205 _IMP_kernel.disown_QuadScore(self)
7206 return weakref.proxy(self)
7208 def do_get_inputs(self, m, pis):
7209 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7210 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
7213 r"""do_destroy(QuadScore self)"""
7214 return _IMP_kernel.QuadScore_do_destroy(self)
7217 _IMP_kernel.QuadScore_swigregister(QuadScore)
7219 r"""Proxy of C++ IMP::QuadPredicate class."""
7221 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7223 def __init__(self, *args):
7224 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
7225 if self.__class__ == QuadPredicate:
7229 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
7231 if self.__class__ != QuadPredicate:
7232 _director_objects.register(self)
7237 def setup_for_get_value_index_in_batch(self, arg0):
7238 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
7239 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
7241 def get_value_index_in_batch(self, m, vt):
7242 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7243 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
7245 def __call__(self, m, vt):
7246 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7247 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
7249 def get_value_index(self, *args):
7251 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
7252 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
7254 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
7255 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
7258 r"""__str__(QuadPredicate self) -> std::string"""
7259 return _IMP_kernel.QuadPredicate___str__(self)
7262 r"""__repr__(QuadPredicate self) -> std::string"""
7263 return _IMP_kernel.QuadPredicate___repr__(self)
7267 return _object_cast_to_QuadPredicate(o)
7270 def do_show(self, out):
7275 return _object_cast_to_QuadPredicate(o)
7277 def __disown__(self):
7279 _IMP_kernel.disown_QuadPredicate(self)
7280 return weakref.proxy(self)
7282 def do_get_inputs(self, m, pis):
7283 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7284 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
7287 r"""do_destroy(QuadPredicate self)"""
7288 return _IMP_kernel.QuadPredicate_do_destroy(self)
7291 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
7293 r"""Proxy of C++ IMP::QuadContainer class."""
7295 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7297 def apply_generic(self, m):
7298 r"""apply_generic(QuadContainer self, QuadModifier m)"""
7299 return _IMP_kernel.QuadContainer_apply_generic(self, m)
7301 def apply_generic_moved(self, m, moved_pis, reset_pis):
7302 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7303 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7305 def apply(self, sm):
7306 r"""apply(QuadContainer self, QuadModifier sm)"""
7307 return _IMP_kernel.QuadContainer_apply(self, sm)
7309 def apply_moved(self, sm, moved_pis, reset_pis):
7310 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7311 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
7313 def get_range_indexes(self):
7314 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7315 return _IMP_kernel.QuadContainer_get_range_indexes(self)
7317 def get_contents(self):
7318 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
7319 return _IMP_kernel.QuadContainer_get_contents(self)
7322 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7323 return _IMP_kernel.QuadContainer_get_indexes(self)
7325 def get(self, *args):
7327 get(QuadContainer self) -> IMP::ParticleQuadsTemp
7328 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
7330 return _IMP_kernel.QuadContainer_get(self, *args)
7332 def get_number(self):
7333 r"""get_number(QuadContainer self) -> unsigned int"""
7334 return _IMP_kernel.QuadContainer_get_number(self)
7336 def __init__(self, *args):
7338 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
7339 __init__(QuadContainer self) -> QuadContainer
7341 if self.__class__ == QuadContainer:
7345 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
7347 if self.__class__ != QuadContainer:
7348 _director_objects.register(self)
7353 def do_apply(self, sm):
7354 r"""do_apply(QuadContainer self, QuadModifier sm)"""
7355 return _IMP_kernel.QuadContainer_do_apply(self, sm)
7357 def do_apply_moved(self, sm, moved_pis, reset_pis):
7358 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7359 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7361 def do_get_provides_access(self):
7362 r"""do_get_provides_access(QuadContainer self) -> bool"""
7363 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
7364 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
7367 r"""__str__(QuadContainer self) -> std::string"""
7368 return _IMP_kernel.QuadContainer___str__(self)
7371 r"""__repr__(QuadContainer self) -> std::string"""
7372 return _IMP_kernel.QuadContainer___repr__(self)
7376 return _object_cast_to_QuadContainer(o)
7379 def do_show(self, out):
7384 return _object_cast_to_QuadContainer(o)
7386 def __disown__(self):
7388 _IMP_kernel.disown_QuadContainer(self)
7389 return weakref.proxy(self)
7392 r"""do_destroy(QuadContainer self)"""
7393 return _IMP_kernel.QuadContainer_do_destroy(self)
7395 def handle_set_has_required_score_states(self, arg0):
7396 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
7397 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
7399 def do_get_inputs(self):
7400 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
7401 return _IMP_kernel.QuadContainer_do_get_inputs(self)
7403 def do_get_interactions(self):
7404 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
7405 return _IMP_kernel.QuadContainer_do_get_interactions(self)
7407 def do_get_contents_hash(self):
7408 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
7409 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
7412 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
7413 class _QuadContainerAdaptor(_InputAdaptor):
7414 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
7416 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7417 __repr__ = _swig_repr
7419 def __init__(self, *args):
7421 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
7422 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
7423 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
7425 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
7427 def set_name_if_default(self, name):
7428 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
7429 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
7430 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
7433 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
7435 r"""Proxy of C++ IMP::SingletonModifier class."""
7437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7439 def __init__(self, *args):
7440 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
7441 if self.__class__ == SingletonModifier:
7445 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
7447 if self.__class__ != SingletonModifier:
7448 _director_objects.register(self)
7453 def apply_index(self, m, v):
7454 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
7455 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
7457 def apply_indexes(self, m, o, lower_bound, upper_bound):
7458 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7459 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7461 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7462 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)"""
7463 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7466 r"""__str__(SingletonModifier self) -> std::string"""
7467 return _IMP_kernel.SingletonModifier___str__(self)
7470 r"""__repr__(SingletonModifier self) -> std::string"""
7471 return _IMP_kernel.SingletonModifier___repr__(self)
7475 return _object_cast_to_SingletonModifier(o)
7478 def do_show(self, out):
7483 return _object_cast_to_SingletonModifier(o)
7486 def _wrap_jax(self, apply_func, keys=None):
7487 """Create the return value for _get_jax.
7488 Use this method in _get_jax() to wrap the JAX function
7489 with other modifier-specific information.
7491 @param apply_func A function implemented using JAX that takes
7492 one argument (the current JAX Model) and returns a new
7494 @param keys Model attributes used by the SingletonModifier.
7495 See IMP::Restraint::_wrap_jax.
7497 from IMP._jax_util
import JAXModifierInfo
7498 return JAXModifierInfo(apply_func=apply_func, keys=keys)
7500 def _get_jax(self, m, indexes):
7501 """Return a JAX implementation of this SingletonModifier.
7502 Implement this method in a SingletonModifier subclass to provide
7503 an equivalent function using [JAX](https://docs.jax.dev/)
7504 that modifies the current JAX Model. See also _wrap_jax.
7506 @param m The IMP.Model that the modifier will act on.
7507 @param indexes The ParticleIndexes that the modifier will act on.
7509 raise NotImplementedError(f
"No JAX implementation for {self}")
7511 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
7512 def __disown__(self):
7514 _IMP_kernel.disown_SingletonModifier(self)
7515 return weakref.proxy(self)
7517 def do_get_inputs(self, m, pis):
7518 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7519 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
7521 def do_get_outputs(self, m, pis):
7522 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7523 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
7526 r"""do_destroy(SingletonModifier self)"""
7527 return _IMP_kernel.SingletonModifier_do_destroy(self)
7530 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
7532 r"""Proxy of C++ IMP::SingletonScore class."""
7534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7536 def __init__(self, *args):
7537 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
7538 if self.__class__ == SingletonScore:
7542 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
7544 if self.__class__ != SingletonScore:
7545 _director_objects.register(self)
7550 def evaluate_index(self, m, vt, da):
7551 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
7552 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
7554 def check_indexes(self, m, pis):
7555 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7556 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
7558 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7559 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"""
7560 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7562 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7563 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"""
7564 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7566 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7567 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"""
7568 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7570 def evaluate_if_good_index(self, m, vt, da, max):
7571 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
7572 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
7574 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7575 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"""
7576 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7578 def create_current_decomposition(self, m, vt):
7579 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7580 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
7582 def do_create_current_decomposition(self, m, vt):
7583 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7584 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
7585 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
7588 r"""__str__(SingletonScore self) -> std::string"""
7589 return _IMP_kernel.SingletonScore___str__(self)
7592 r"""__repr__(SingletonScore self) -> std::string"""
7593 return _IMP_kernel.SingletonScore___repr__(self)
7597 return _object_cast_to_SingletonScore(o)
7600 def do_show(self, out):
7605 return _object_cast_to_SingletonScore(o)
7608 def _wrap_jax(self, m, score_func, keys=None):
7609 """See IMP::PairScore::_wrap_jax"""
7610 from IMP._jax_util
import JAXScoreInfo
7611 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7613 def _get_jax(self, m, indexes):
7614 """See IMP::PairScore::_get_jax"""
7615 raise NotImplementedError(f
"No JAX implementation for {self}")
7617 def __disown__(self):
7619 _IMP_kernel.disown_SingletonScore(self)
7620 return weakref.proxy(self)
7622 def do_get_inputs(self, m, pis):
7623 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7624 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
7627 r"""do_destroy(SingletonScore self)"""
7628 return _IMP_kernel.SingletonScore_do_destroy(self)
7631 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
7633 r"""Proxy of C++ IMP::SingletonPredicate class."""
7635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7637 def __init__(self, *args):
7638 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
7639 if self.__class__ == SingletonPredicate:
7643 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
7645 if self.__class__ != SingletonPredicate:
7646 _director_objects.register(self)
7651 def setup_for_get_value_index_in_batch(self, arg0):
7652 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
7653 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
7655 def get_value_index_in_batch(self, m, vt):
7656 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7657 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
7659 def __call__(self, m, vt):
7660 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7661 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
7663 def get_value_index(self, *args):
7665 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
7666 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
7668 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
7669 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
7672 r"""__str__(SingletonPredicate self) -> std::string"""
7673 return _IMP_kernel.SingletonPredicate___str__(self)
7676 r"""__repr__(SingletonPredicate self) -> std::string"""
7677 return _IMP_kernel.SingletonPredicate___repr__(self)
7681 return _object_cast_to_SingletonPredicate(o)
7684 def do_show(self, out):
7689 return _object_cast_to_SingletonPredicate(o)
7691 def __disown__(self):
7693 _IMP_kernel.disown_SingletonPredicate(self)
7694 return weakref.proxy(self)
7696 def do_get_inputs(self, m, pis):
7697 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7698 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
7701 r"""do_destroy(SingletonPredicate self)"""
7702 return _IMP_kernel.SingletonPredicate_do_destroy(self)
7705 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
7707 r"""Proxy of C++ IMP::SingletonContainer class."""
7709 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7711 def apply_generic(self, m):
7712 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
7713 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
7715 def apply_generic_moved(self, m, moved_pis, reset_pis):
7716 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7717 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7719 def apply(self, sm):
7720 r"""apply(SingletonContainer self, SingletonModifier sm)"""
7721 return _IMP_kernel.SingletonContainer_apply(self, sm)
7723 def apply_moved(self, sm, moved_pis, reset_pis):
7724 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7725 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
7727 def get_range_indexes(self):
7728 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7729 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
7731 def get_contents(self):
7732 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
7733 return _IMP_kernel.SingletonContainer_get_contents(self)
7736 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7737 return _IMP_kernel.SingletonContainer_get_indexes(self)
7739 def get(self, *args):
7741 get(SingletonContainer self) -> IMP::ParticlesTemp
7742 get(SingletonContainer self, unsigned int i) -> Particle
7744 return _IMP_kernel.SingletonContainer_get(self, *args)
7746 def get_number(self):
7747 r"""get_number(SingletonContainer self) -> unsigned int"""
7748 return _IMP_kernel.SingletonContainer_get_number(self)
7750 def __init__(self, *args):
7752 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
7753 __init__(SingletonContainer self) -> SingletonContainer
7755 if self.__class__ == SingletonContainer:
7759 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
7761 if self.__class__ != SingletonContainer:
7762 _director_objects.register(self)
7767 def do_apply(self, sm):
7768 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
7769 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
7771 def do_apply_moved(self, sm, moved_pis, reset_pis):
7772 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7773 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7775 def do_get_provides_access(self):
7776 r"""do_get_provides_access(SingletonContainer self) -> bool"""
7777 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
7778 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
7781 r"""__str__(SingletonContainer self) -> std::string"""
7782 return _IMP_kernel.SingletonContainer___str__(self)
7785 r"""__repr__(SingletonContainer self) -> std::string"""
7786 return _IMP_kernel.SingletonContainer___repr__(self)
7790 return _object_cast_to_SingletonContainer(o)
7793 def do_show(self, out):
7798 return _object_cast_to_SingletonContainer(o)
7800 def __disown__(self):
7802 _IMP_kernel.disown_SingletonContainer(self)
7803 return weakref.proxy(self)
7806 r"""do_destroy(SingletonContainer self)"""
7807 return _IMP_kernel.SingletonContainer_do_destroy(self)
7809 def handle_set_has_required_score_states(self, arg0):
7810 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
7811 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
7813 def do_get_inputs(self):
7814 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
7815 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
7817 def do_get_interactions(self):
7818 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
7819 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
7821 def do_get_contents_hash(self):
7822 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
7823 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
7826 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
7827 class _SingletonContainerAdaptor(_InputAdaptor):
7828 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
7830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7831 __repr__ = _swig_repr
7833 def __init__(self, *args):
7835 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
7836 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
7837 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
7839 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
7841 def set_name_if_default(self, name):
7842 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
7843 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
7844 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
7847 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
7849 r"""Proxy of C++ IMP::TripletModifier class."""
7851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7853 def __init__(self, *args):
7854 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
7855 if self.__class__ == TripletModifier:
7859 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
7861 if self.__class__ != TripletModifier:
7862 _director_objects.register(self)
7867 def apply_index(self, m, v):
7868 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
7869 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
7871 def apply_indexes(self, m, o, lower_bound, upper_bound):
7872 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7873 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7875 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7876 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)"""
7877 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7880 r"""__str__(TripletModifier self) -> std::string"""
7881 return _IMP_kernel.TripletModifier___str__(self)
7884 r"""__repr__(TripletModifier self) -> std::string"""
7885 return _IMP_kernel.TripletModifier___repr__(self)
7889 return _object_cast_to_TripletModifier(o)
7892 def do_show(self, out):
7897 return _object_cast_to_TripletModifier(o)
7899 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
7900 def __disown__(self):
7902 _IMP_kernel.disown_TripletModifier(self)
7903 return weakref.proxy(self)
7905 def do_get_inputs(self, m, pis):
7906 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7907 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
7909 def do_get_outputs(self, m, pis):
7910 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7911 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
7914 r"""do_destroy(TripletModifier self)"""
7915 return _IMP_kernel.TripletModifier_do_destroy(self)
7918 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
7920 r"""Proxy of C++ IMP::TripletScore class."""
7922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7924 def __init__(self, *args):
7925 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
7926 if self.__class__ == TripletScore:
7930 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
7932 if self.__class__ != TripletScore:
7933 _director_objects.register(self)
7938 def evaluate_index(self, m, vt, da):
7939 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
7940 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
7942 def check_indexes(self, m, pis):
7943 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7944 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
7946 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7947 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"""
7948 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7950 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7951 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"""
7952 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7954 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7955 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"""
7956 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7958 def evaluate_if_good_index(self, m, vt, da, max):
7959 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
7960 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
7962 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7963 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"""
7964 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7966 def create_current_decomposition(self, m, vt):
7967 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7968 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
7970 def do_create_current_decomposition(self, m, vt):
7971 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7972 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
7973 __swig_destroy__ = _IMP_kernel.delete_TripletScore
7976 r"""__str__(TripletScore self) -> std::string"""
7977 return _IMP_kernel.TripletScore___str__(self)
7980 r"""__repr__(TripletScore self) -> std::string"""
7981 return _IMP_kernel.TripletScore___repr__(self)
7985 return _object_cast_to_TripletScore(o)
7988 def do_show(self, out):
7993 return _object_cast_to_TripletScore(o)
7995 def __disown__(self):
7997 _IMP_kernel.disown_TripletScore(self)
7998 return weakref.proxy(self)
8000 def do_get_inputs(self, m, pis):
8001 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8002 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
8005 r"""do_destroy(TripletScore self)"""
8006 return _IMP_kernel.TripletScore_do_destroy(self)
8009 _IMP_kernel.TripletScore_swigregister(TripletScore)
8011 r"""Proxy of C++ IMP::TripletPredicate class."""
8013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8015 def __init__(self, *args):
8016 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
8017 if self.__class__ == TripletPredicate:
8021 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
8023 if self.__class__ != TripletPredicate:
8024 _director_objects.register(self)
8029 def setup_for_get_value_index_in_batch(self, arg0):
8030 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
8031 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
8033 def get_value_index_in_batch(self, m, vt):
8034 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8035 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
8037 def __call__(self, m, vt):
8038 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8039 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
8041 def get_value_index(self, *args):
8043 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
8044 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
8046 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
8047 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
8050 r"""__str__(TripletPredicate self) -> std::string"""
8051 return _IMP_kernel.TripletPredicate___str__(self)
8054 r"""__repr__(TripletPredicate self) -> std::string"""
8055 return _IMP_kernel.TripletPredicate___repr__(self)
8059 return _object_cast_to_TripletPredicate(o)
8062 def do_show(self, out):
8067 return _object_cast_to_TripletPredicate(o)
8069 def __disown__(self):
8071 _IMP_kernel.disown_TripletPredicate(self)
8072 return weakref.proxy(self)
8074 def do_get_inputs(self, m, pis):
8075 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8076 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
8079 r"""do_destroy(TripletPredicate self)"""
8080 return _IMP_kernel.TripletPredicate_do_destroy(self)
8083 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
8085 r"""Proxy of C++ IMP::TripletContainer class."""
8087 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8089 def apply_generic(self, m):
8090 r"""apply_generic(TripletContainer self, TripletModifier m)"""
8091 return _IMP_kernel.TripletContainer_apply_generic(self, m)
8093 def apply_generic_moved(self, m, moved_pis, reset_pis):
8094 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8095 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8097 def apply(self, sm):
8098 r"""apply(TripletContainer self, TripletModifier sm)"""
8099 return _IMP_kernel.TripletContainer_apply(self, sm)
8101 def apply_moved(self, sm, moved_pis, reset_pis):
8102 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8103 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
8105 def get_range_indexes(self):
8106 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8107 return _IMP_kernel.TripletContainer_get_range_indexes(self)
8109 def get_contents(self):
8110 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
8111 return _IMP_kernel.TripletContainer_get_contents(self)
8114 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8115 return _IMP_kernel.TripletContainer_get_indexes(self)
8117 def get(self, *args):
8119 get(TripletContainer self) -> IMP::ParticleTripletsTemp
8120 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
8122 return _IMP_kernel.TripletContainer_get(self, *args)
8124 def get_number(self):
8125 r"""get_number(TripletContainer self) -> unsigned int"""
8126 return _IMP_kernel.TripletContainer_get_number(self)
8128 def __init__(self, *args):
8130 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
8131 __init__(TripletContainer self) -> TripletContainer
8133 if self.__class__ == TripletContainer:
8137 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
8139 if self.__class__ != TripletContainer:
8140 _director_objects.register(self)
8145 def do_apply(self, sm):
8146 r"""do_apply(TripletContainer self, TripletModifier sm)"""
8147 return _IMP_kernel.TripletContainer_do_apply(self, sm)
8149 def do_apply_moved(self, sm, moved_pis, reset_pis):
8150 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8151 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8153 def do_get_provides_access(self):
8154 r"""do_get_provides_access(TripletContainer self) -> bool"""
8155 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
8156 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
8159 r"""__str__(TripletContainer self) -> std::string"""
8160 return _IMP_kernel.TripletContainer___str__(self)
8163 r"""__repr__(TripletContainer self) -> std::string"""
8164 return _IMP_kernel.TripletContainer___repr__(self)
8168 return _object_cast_to_TripletContainer(o)
8171 def do_show(self, out):
8176 return _object_cast_to_TripletContainer(o)
8178 def __disown__(self):
8180 _IMP_kernel.disown_TripletContainer(self)
8181 return weakref.proxy(self)
8184 r"""do_destroy(TripletContainer self)"""
8185 return _IMP_kernel.TripletContainer_do_destroy(self)
8187 def handle_set_has_required_score_states(self, arg0):
8188 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
8189 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
8191 def do_get_inputs(self):
8192 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
8193 return _IMP_kernel.TripletContainer_do_get_inputs(self)
8195 def do_get_interactions(self):
8196 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
8197 return _IMP_kernel.TripletContainer_do_get_interactions(self)
8199 def do_get_contents_hash(self):
8200 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
8201 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
8204 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
8205 class _TripletContainerAdaptor(_InputAdaptor):
8206 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
8208 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8209 __repr__ = _swig_repr
8211 def __init__(self, *args):
8213 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
8214 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
8215 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
8217 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
8219 def set_name_if_default(self, name):
8220 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
8221 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
8222 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
8225 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
8228 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
8229 return _IMP_kernel.write_particles_to_buffer(particles, keys)
8232 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
8233 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
8236 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
8237 return _IMP_kernel.get_particles(m, ps)
8241 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
8242 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
8244 return _IMP_kernel.get_indexes(*args)
8245 class _ParticleIndexAdaptor(object):
8246 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
8248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8249 __repr__ = _swig_repr
8251 def __init__(self, *args):
8253 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
8254 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
8255 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
8257 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
8258 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
8261 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
8262 class _ParticleIndexesAdaptor(_InputAdaptor):
8263 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
8265 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8266 __repr__ = _swig_repr
8268 def __init__(self, *args):
8270 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
8271 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
8272 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
8274 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
8275 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
8278 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
8279 class _ParticleIndexPairsAdaptor(object):
8280 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
8282 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8283 __repr__ = _swig_repr
8285 def __init__(self, *args):
8287 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
8288 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
8289 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
8291 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
8292 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
8295 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
8297 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
8299 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8301 def __init__(self, *args):
8303 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
8304 __init__(_ConstRestraint self) -> _ConstRestraint
8306 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
8308 def get_value(self):
8309 r"""get_value(_ConstRestraint self) -> double"""
8310 return _IMP_kernel._ConstRestraint_get_value(self)
8312 def do_create_decomposition(self):
8313 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
8314 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
8316 def do_get_inputs(self):
8317 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
8318 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
8321 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
8322 return _IMP_kernel._ConstRestraint_get_version_info(self)
8323 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
8326 r"""__str__(_ConstRestraint self) -> std::string"""
8327 return _IMP_kernel._ConstRestraint___str__(self)
8330 r"""__repr__(_ConstRestraint self) -> std::string"""
8331 return _IMP_kernel._ConstRestraint___repr__(self)
8335 return _object_cast_to__ConstRestraint(o)
8338 def _get_as_binary(self):
8339 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
8340 return _IMP_kernel._ConstRestraint__get_as_binary(self)
8342 def _set_from_binary(self, p):
8343 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
8344 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
8346 def __getstate__(self):
8347 p = self._get_as_binary()
8348 if len(self.__dict__) > 1:
8349 d = self.__dict__.copy()
8354 def __setstate__(self, p):
8355 if not hasattr(self,
'this'):
8357 if isinstance(p, tuple):
8359 self.__dict__.update(d)
8360 return self._set_from_binary(p)
8364 value = self.get_value()
8366 return self._wrap_jax(
lambda jm: value)
8370 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
8372 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
8374 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8376 def __init__(self, *args):
8378 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
8379 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
8381 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
8383 def get_value(self):
8384 r"""get_value(_ConstSingletonScore self) -> double"""
8385 return _IMP_kernel._ConstSingletonScore_get_value(self)
8387 def do_get_inputs(self, arg2, arg3):
8388 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8389 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
8391 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8392 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"""
8393 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8395 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8396 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"""
8397 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8399 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8400 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"""
8401 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8403 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8404 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"""
8405 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8408 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
8409 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
8410 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
8413 r"""__str__(_ConstSingletonScore self) -> std::string"""
8414 return _IMP_kernel._ConstSingletonScore___str__(self)
8417 r"""__repr__(_ConstSingletonScore self) -> std::string"""
8418 return _IMP_kernel._ConstSingletonScore___repr__(self)
8422 return _object_cast_to__ConstSingletonScore(o)
8425 def _get_as_binary(self):
8426 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
8427 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
8429 def _set_from_binary(self, p):
8430 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
8431 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
8433 def __getstate__(self):
8434 p = self._get_as_binary()
8435 if len(self.__dict__) > 1:
8436 d = self.__dict__.copy()
8441 def __setstate__(self, p):
8442 if not hasattr(self,
'this'):
8444 if isinstance(p, tuple):
8446 self.__dict__.update(d)
8447 return self._set_from_binary(p)
8450 def _get_jax(self, m, indexes):
8451 value = self.get_value()
8453 return self._wrap_jax(m,
lambda jm: value)
8457 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
8459 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
8461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8463 def __init__(self, *args):
8465 __init__(_ConstPairScore self, double v) -> _ConstPairScore
8466 __init__(_ConstPairScore self) -> _ConstPairScore
8468 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
8470 def get_value(self):
8471 r"""get_value(_ConstPairScore self) -> double"""
8472 return _IMP_kernel._ConstPairScore_get_value(self)
8474 def do_get_inputs(self, arg2, arg3):
8475 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8476 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
8478 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8479 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"""
8480 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8482 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8483 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"""
8484 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8486 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8487 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"""
8488 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8490 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8491 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"""
8492 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8495 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
8496 return _IMP_kernel._ConstPairScore_get_version_info(self)
8497 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
8500 r"""__str__(_ConstPairScore self) -> std::string"""
8501 return _IMP_kernel._ConstPairScore___str__(self)
8504 r"""__repr__(_ConstPairScore self) -> std::string"""
8505 return _IMP_kernel._ConstPairScore___repr__(self)
8509 return _object_cast_to__ConstPairScore(o)
8512 def _get_as_binary(self):
8513 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
8514 return _IMP_kernel._ConstPairScore__get_as_binary(self)
8516 def _set_from_binary(self, p):
8517 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
8518 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
8520 def __getstate__(self):
8521 p = self._get_as_binary()
8522 if len(self.__dict__) > 1:
8523 d = self.__dict__.copy()
8528 def __setstate__(self, p):
8529 if not hasattr(self,
'this'):
8531 if isinstance(p, tuple):
8533 self.__dict__.update(d)
8534 return self._set_from_binary(p)
8537 def _get_jax(self, m, indexes):
8538 value = self.get_value()
8540 return self._wrap_jax(m,
lambda jm: value)
8544 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
8546 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
8548 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8550 def __init__(self, *args):
8552 __init__(_TrivialDecorator self) -> _TrivialDecorator
8553 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
8554 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
8556 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
8558 def show(self, *args):
8559 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
8560 return _IMP_kernel._TrivialDecorator_show(self, *args)
8563 def setup_particle(*args):
8565 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
8566 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
8568 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
8571 def get_is_setup(*args):
8573 get_is_setup(_ParticleAdaptor p) -> bool
8574 get_is_setup(Model m, ParticleIndex pi) -> bool
8576 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
8580 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
8581 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8582 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8583 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8584 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8585 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
8586 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8587 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
8588 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8589 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8590 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8591 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8593 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
8595 def get_value(self, *args):
8597 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
8598 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
8599 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
8600 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
8601 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
8602 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
8603 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
8604 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
8605 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
8606 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
8607 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8609 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
8611 def set_value(self, *args):
8613 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8614 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8615 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8616 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8617 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
8618 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8619 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
8620 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8621 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8622 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8623 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8625 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
8629 remove_attribute(_TrivialDecorator self, FloatKey a0)
8630 remove_attribute(_TrivialDecorator self, IntKey a0)
8631 remove_attribute(_TrivialDecorator self, FloatsKey a0)
8632 remove_attribute(_TrivialDecorator self, IntsKey a0)
8633 remove_attribute(_TrivialDecorator self, StringKey a0)
8634 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
8635 remove_attribute(_TrivialDecorator self, ObjectKey a0)
8636 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
8637 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
8638 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
8639 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
8641 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
8643 def has_attribute(self, *args):
8645 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
8646 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
8647 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
8648 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
8649 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
8650 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
8651 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
8652 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
8653 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
8654 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
8655 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
8657 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
8659 def get_derivative(self, a0):
8660 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
8661 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
8664 r"""get_name(_TrivialDecorator self) -> std::string"""
8665 return _IMP_kernel._TrivialDecorator_get_name(self)
8668 r"""clear_caches(_TrivialDecorator self)"""
8669 return _IMP_kernel._TrivialDecorator_clear_caches(self)
8671 def set_name(self, a0):
8672 r"""set_name(_TrivialDecorator self, std::string a0)"""
8673 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
8676 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
8677 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
8679 def add_to_derivative(self, a0, a1, a2):
8680 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8681 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
8684 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
8685 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
8687 def get_is_optimized(self, a0):
8688 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
8689 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
8691 def get_check_level(self):
8692 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
8693 return _IMP_kernel._TrivialDecorator_get_check_level(self)
8695 def __eq__(self, *args):
8697 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8698 __eq__(_TrivialDecorator self, Particle d) -> bool
8700 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
8702 def __ne__(self, *args):
8704 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8705 __ne__(_TrivialDecorator self, Particle d) -> bool
8707 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
8709 def __le__(self, *args):
8711 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8712 __le__(_TrivialDecorator self, Particle d) -> bool
8714 return _IMP_kernel._TrivialDecorator___le__(self, *args)
8716 def __lt__(self, *args):
8718 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8719 __lt__(_TrivialDecorator self, Particle d) -> bool
8721 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
8723 def __ge__(self, *args):
8725 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8726 __ge__(_TrivialDecorator self, Particle d) -> bool
8728 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
8730 def __gt__(self, *args):
8732 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8733 __gt__(_TrivialDecorator self, Particle d) -> bool
8735 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
8738 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
8739 return _IMP_kernel._TrivialDecorator___hash__(self)
8742 r"""__str__(_TrivialDecorator self) -> std::string"""
8743 return _IMP_kernel._TrivialDecorator___str__(self)
8746 r"""__repr__(_TrivialDecorator self) -> std::string"""
8747 return _IMP_kernel._TrivialDecorator___repr__(self)
8749 def _get_as_binary(self):
8750 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
8751 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
8753 def _set_from_binary(self, p):
8754 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
8755 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
8757 def __getstate__(self):
8758 p = self._get_as_binary()
8759 if len(self.__dict__) > 1:
8760 d = self.__dict__.copy()
8765 def __setstate__(self, p):
8766 if not hasattr(self,
'this'):
8768 if isinstance(p, tuple):
8770 self.__dict__.update(d)
8771 return self._set_from_binary(p)
8773 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
8776 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
8777 class _TrivialDerivedDecorator(_TrivialDecorator):
8778 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
8780 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8782 def __init__(self, *args):
8784 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
8785 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
8786 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
8788 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
8790 def show(self, *args):
8791 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
8792 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
8795 def setup_particle(*args):
8797 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
8798 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
8800 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
8803 def get_is_setup(*args):
8805 get_is_setup(_ParticleAdaptor p) -> bool
8806 get_is_setup(Model m, ParticleIndex pi) -> bool
8808 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
8812 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
8813 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8814 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8815 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8816 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8817 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8818 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8819 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8820 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8821 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8822 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8823 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8825 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
8827 def get_value(self, *args):
8829 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
8830 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
8831 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
8832 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
8833 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
8834 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
8835 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
8836 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
8837 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
8838 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
8839 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8841 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
8843 def set_value(self, *args):
8845 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8846 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8847 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8848 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8849 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8850 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8851 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8852 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8853 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8854 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8855 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8857 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
8861 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
8862 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
8863 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
8864 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
8865 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
8866 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
8867 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
8868 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
8869 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
8870 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
8871 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
8873 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
8875 def has_attribute(self, *args):
8877 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
8878 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
8879 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
8880 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
8881 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
8882 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
8883 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
8884 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
8885 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
8886 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
8887 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
8889 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
8891 def get_derivative(self, a0):
8892 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
8893 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
8896 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
8897 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
8900 r"""clear_caches(_TrivialDerivedDecorator self)"""
8901 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
8903 def set_name(self, a0):
8904 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
8905 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
8908 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
8909 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
8911 def add_to_derivative(self, a0, a1, a2):
8912 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8913 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
8916 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
8917 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
8919 def get_is_optimized(self, a0):
8920 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
8921 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
8923 def get_check_level(self):
8924 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
8925 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
8927 def __eq__(self, *args):
8929 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8930 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
8932 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
8934 def __ne__(self, *args):
8936 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8937 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
8939 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
8941 def __le__(self, *args):
8943 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8944 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
8946 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
8948 def __lt__(self, *args):
8950 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8951 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
8953 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
8955 def __ge__(self, *args):
8957 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8958 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
8960 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
8962 def __gt__(self, *args):
8964 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8965 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
8967 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
8970 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
8971 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
8974 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
8975 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
8978 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
8979 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
8981 def _get_as_binary(self):
8982 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
8983 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
8985 def _set_from_binary(self, p):
8986 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
8987 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
8989 def __getstate__(self):
8990 p = self._get_as_binary()
8991 if len(self.__dict__) > 1:
8992 d = self.__dict__.copy()
8997 def __setstate__(self, p):
8998 if not hasattr(self,
'this'):
9000 if isinstance(p, tuple):
9002 self.__dict__.update(d)
9003 return self._set_from_binary(p)
9005 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
9008 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
9009 class _TrivialTraitsDecorator(
Decorator):
9010 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
9012 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9014 def get_decorator_traits(self):
9015 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
9016 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
9019 def get_default_decorator_traits():
9020 r"""get_default_decorator_traits() -> StringKey"""
9021 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
9023 def __init__(self, *args):
9025 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
9026 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9027 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9029 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
9031 def show(self, *args):
9032 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
9033 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
9036 def setup_particle(*args):
9038 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9039 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9041 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
9044 def get_is_setup(*args):
9046 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
9047 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
9049 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
9052 def get_default_key():
9053 r"""get_default_key() -> StringKey"""
9054 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
9058 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
9059 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9060 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9061 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9062 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9063 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9064 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9065 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9066 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9067 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9068 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9069 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9071 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
9073 def get_value(self, *args):
9075 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
9076 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
9077 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
9078 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
9079 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
9080 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
9081 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
9082 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
9083 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
9084 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
9085 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9087 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
9089 def set_value(self, *args):
9091 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9092 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9093 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9094 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9095 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9096 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9097 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9098 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9099 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9100 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9101 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9103 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
9107 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
9108 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
9109 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
9110 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
9111 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
9112 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
9113 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
9114 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
9115 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
9116 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
9117 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
9119 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
9121 def has_attribute(self, *args):
9123 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
9124 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
9125 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
9126 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
9127 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
9128 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
9129 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
9130 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
9131 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
9132 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
9133 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
9135 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
9137 def get_derivative(self, a0):
9138 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
9139 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
9142 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
9143 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
9146 r"""clear_caches(_TrivialTraitsDecorator self)"""
9147 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
9149 def set_name(self, a0):
9150 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
9151 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
9154 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
9155 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
9157 def add_to_derivative(self, a0, a1, a2):
9158 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9159 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
9162 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
9163 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
9165 def get_is_optimized(self, a0):
9166 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
9167 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
9169 def get_check_level(self):
9170 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
9171 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
9173 def __eq__(self, *args):
9175 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9176 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
9178 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
9180 def __ne__(self, *args):
9182 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9183 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
9185 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
9187 def __le__(self, *args):
9189 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9190 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
9192 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
9194 def __lt__(self, *args):
9196 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9197 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
9199 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
9201 def __ge__(self, *args):
9203 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9204 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
9206 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
9208 def __gt__(self, *args):
9210 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9211 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
9213 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
9216 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
9217 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
9220 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
9221 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
9224 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
9225 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
9226 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
9229 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
9231 def __lshift__(*args):
9233 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
9234 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
9235 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
9237 return _IMP_kernel.__lshift__(*args)
9239 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
9241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9243 def __init__(self, *args):
9245 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
9246 __init__(_ConstOptimizer self) -> _ConstOptimizer
9248 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
9250 def do_optimize(self, max_steps):
9251 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
9252 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
9255 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
9256 return _IMP_kernel._ConstOptimizer_get_version_info(self)
9257 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
9260 r"""__str__(_ConstOptimizer self) -> std::string"""
9261 return _IMP_kernel._ConstOptimizer___str__(self)
9264 r"""__repr__(_ConstOptimizer self) -> std::string"""
9265 return _IMP_kernel._ConstOptimizer___repr__(self)
9269 return _object_cast_to__ConstOptimizer(o)
9272 def _get_as_binary(self):
9273 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
9274 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
9276 def _set_from_binary(self, p):
9277 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
9278 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
9280 def __getstate__(self):
9281 p = self._get_as_binary()
9282 if len(self.__dict__) > 1:
9283 d = self.__dict__.copy()
9288 def __setstate__(self, p):
9289 if not hasattr(self,
'this'):
9291 if isinstance(p, tuple):
9293 self.__dict__.update(d)
9294 return self._set_from_binary(p)
9298 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
9301 r"""get_particle(Particle p) -> Particle"""
9302 return _IMP_kernel.get_particle(p)
9304 def _decorator_test(p):
9305 r"""_decorator_test(Particle p)"""
9306 return _IMP_kernel._decorator_test(p)
9308 def _overloaded_decorator(*args):
9310 _overloaded_decorator(_TrivialDecorator a) -> int
9311 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
9313 return _IMP_kernel._overloaded_decorator(*args)
9315 def _take_particles(*args):
9317 _take_particles(IMP::Particles const & ps) -> unsigned int
9318 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
9319 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
9321 return _IMP_kernel._take_particles(*args)
9323 def _give_particles(m):
9324 r"""_give_particles(Model m) -> IMP::Particles const &"""
9325 return _IMP_kernel._give_particles(m)
9327 def _pass_particles(ps):
9328 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
9329 return _IMP_kernel._pass_particles(ps)
9331 def _pass_particle(ps):
9332 r"""_pass_particle(Particle ps) -> Particle"""
9333 return _IMP_kernel._pass_particle(ps)
9335 def _pass_particle_pair(pp):
9336 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
9337 return _IMP_kernel._pass_particle_pair(pp)
9339 def _give_particles_copy(m):
9340 r"""_give_particles_copy(Model m) -> IMP::Particles"""
9341 return _IMP_kernel._give_particles_copy(m)
9343 def _pass_float_keys(input):
9344 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
9345 return _IMP_kernel._pass_float_keys(input)
9349 _pass(IMP::Particles const & p) -> IMP::Particles const
9350 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
9352 return _IMP_kernel._pass(*args)
9354 def _pass_decorators(p):
9355 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
9356 return _IMP_kernel._pass_decorators(p)
9358 def _pass_decorator_traits(p):
9359 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
9360 return _IMP_kernel._pass_decorator_traits(p)
9362 def _pass_particle_pairs(p):
9363 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
9364 return _IMP_kernel._pass_particle_pairs(p)
9366 def _pass_particle_index_pairs(p):
9367 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
9368 return _IMP_kernel._pass_particle_index_pairs(p)
9370 def _pass_model_objects(p):
9371 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
9372 return _IMP_kernel._pass_model_objects(p)
9374 def _pass_particles_temps(ps):
9375 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
9376 return _IMP_kernel._pass_particles_temps(ps)
9378 def _test_overload(*args):
9380 _test_overload(IMP::Particles const & ps) -> int
9381 _test_overload(IMP::Restraints const & ps) -> int
9383 return _IMP_kernel._test_overload(*args)
9385 def _get_range(m, k):
9386 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
9387 return _IMP_kernel._get_range(m, k)
9389 def _create_particles_from_pdb(name, m):
9390 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
9391 return _IMP_kernel._create_particles_from_pdb(name, m)
9393 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
9395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9396 __repr__ = _swig_repr
9399 r"""__init__(_LogPairScore self) -> _LogPairScore"""
9400 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
9402 def do_get_inputs(self, arg2, arg3):
9403 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9404 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
9406 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9407 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"""
9408 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9410 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9411 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"""
9412 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9414 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9415 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"""
9416 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9418 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9419 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"""
9420 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9423 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
9424 return _IMP_kernel._LogPairScore_get_version_info(self)
9425 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
9427 def get_particle_pairs(self):
9428 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
9429 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
9432 r"""clear(_LogPairScore self)"""
9433 return _IMP_kernel._LogPairScore_clear(self)
9435 def get_contains(self, pp):
9436 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
9437 return _IMP_kernel._LogPairScore_get_contains(self, pp)
9440 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
9442 def _overloaded_particles(*args):
9444 _overloaded_particles(Particle arg1)
9445 _overloaded_particles(IMP::Particles const & arg1)
9446 _overloaded_particles(IMP::ParticlesTemp const & arg1)
9447 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
9448 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
9449 _overloaded_particles(_TrivialDecorator arg1)
9451 return _IMP_kernel._overloaded_particles(*args)
9452 class _ImplicitParticles(object):
9453 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
9455 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9456 __repr__ = _swig_repr
9458 def __init__(self, *args):
9460 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
9461 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
9462 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
9463 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
9464 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
9465 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
9467 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
9468 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
9471 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
9473 def _implicit_particles(arg1):
9474 r"""_implicit_particles(_ImplicitParticles arg1)"""
9475 return _IMP_kernel._implicit_particles(arg1)
9477 def _take_particle_adaptor(pa):
9478 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
9479 return _IMP_kernel._take_particle_adaptor(pa)
9481 def _take_particle_indexes_adaptor(pa):
9482 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
9483 return _IMP_kernel._take_particle_indexes_adaptor(pa)
9485 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
9487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9489 def __init__(self, *args):
9491 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
9492 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
9494 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
9496 def set(self, p, key, value):
9497 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
9498 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
9501 r"""reset(ScopedSetFloatAttribute self)"""
9502 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
9503 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
9505 def show(self, *args):
9506 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
9507 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
9510 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
9511 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
9514 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
9515 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
9518 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
9520 def _get_module_data_path(module, file_name):
9521 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
9522 return _IMP_kernel._get_module_data_path(module, file_name)
9524 def _get_module_example_path(module, file_name):
9525 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
9526 return _IMP_kernel._get_module_example_path(module, file_name)
9535 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
9536 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
9537 pathcomps = os.environ[
'PATH'].split(
";")
9539 if d
not in pathcomps:
9540 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
9548 """Allow command line tools to easily implement multiple commands.
9549 Typically, an IMP command line tool will use an instance of this class
9550 to provide a consistent interface to multiple distinct commands
9551 from a single binary, rather than providing a potentially large
9552 number of binaries. This is similar to the way a number of common
9553 command line tools outside of IMP function (e.g. Git provides a single
9554 `git` tool which implements multiple commands - `git add`, `git commit`,
9555 `git push` and so on).
9557 Each command is implemented with a Python module of the same name
9558 that can be imported from the module (for example, if `module_name`
9559 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
9560 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
9561 Each such module should have a docstring and a `%main()` method
9562 that takes no arguments (the module should also call its `%main()` method
9563 if it is run directly, i.e. with something like
9564 `if __name__=="__main__": %main()`). The encompassing module
9565 (`IMP.foo` in the example) should define `_all_commands` as a Python
9566 list of all valid commands.
9568 See the `multifit` and `cnmultifit` command line tools for example
9572 def __init__(self, short_help, long_help, module_name):
9574 @param short_help A few words that describe the command line tool.
9575 @param long_help Longer text, used in the `help` command.
9576 @param module_name Name of the module (e.g. `IMP.foo`) that
9577 implements the commands.
9579 self.short_help = short_help
9580 self.long_help = long_help
9581 self.module_name = module_name
9582 self._all_commands = self.import_module()._all_commands
9583 self._progname = os.path.basename(sys.argv[0])
9586 """Call this method to act upon the user-provided command line"""
9587 if len(sys.argv) <= 1:
9588 print(self.short_help +
" Use '%s help' for help." % self._progname)
9590 command = sys.argv[1]
9591 if command
in (
'help',
'--help',
'-h'):
9592 if len(sys.argv) == 3:
9593 self.show_command_help(sys.argv[2])
9596 elif command ==
'--version':
9598 elif command
in self._all_commands:
9599 self.do_command(command)
9601 self.unknown_command(command)
9603 def import_module(self, mod=None):
9604 modname = self.module_name
9606 modname +=
"." + mod
9607 return __import__(modname, {}, {}, [
''])
9609 def unknown_command(self, command):
9610 print(
"Unknown command: '%s'" % command)
9611 print(
"Use '%s help' for help." % self._progname)
9614 def _get_version(self):
9617 def show_version(self):
9618 print(self._progname +
' ' + self._get_version())
9620 def show_help(self):
9621 ver = self._get_version()
9622 print(
"%s, version %s." % (self._progname, ver))
9623 print(self.long_help +
"""
9625 This program is part of IMP, the Integrative Modeling Platform,
9627 For additional information about IMP, see <https://integrativemodeling.org>.
9629 Usage: %s <command> [options] [args]
9632 commands = self._all_commands[:] + [
'help']
9634 cmdlen = max([len(c)
for c
in commands])
9637 doc =
'Get help on using %s.' % self._progname
9639 doc = self.import_module(c).__doc__
or "<no help>"
9640 c +=
' ' * (cmdlen - len(c))
9641 print(
' ' + c +
' ' + doc)
9643 Use "%s help <command>" for detailed help on any command
9644 or "%s --version" to see the version number.""" % (self._progname,
9647 def do_command(self, command):
9648 mod = self.import_module(command)
9649 sys.argv[0] = self._progname +
' ' + command
9653 def show_command_help(self, command):
9654 if command ==
'help':
9656 elif command
in self._all_commands
or command ==
'help':
9657 mod = self.import_module(command)
9658 sys.argv = [self._progname +
' ' + command,
'--help']
9661 self.unknown_command(command)
9668 g = networkx.DiGraph()
9669 if len(ig.get_vertices()) == 0:
9678 return self.p.get_name()
9680 def __call__(self, name):
9681 return self.p.__call__(name)
9683 for vi
in ig.get_vertices():
9684 n = ig.get_vertex_name(vi)
9685 g.add_node(NodeWrapper(n))
9686 for vi
in ig.get_vertices():
9687 n = ig.get_vertex_name(vi)
9688 for ni
in ig.get_out_neighbors(vi):
9689 nn = ig.get_vertex_name(ni)
9690 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
9697 n0 = name.get_name()
9700 n1 = str(n0).replace(
'"',
'')
9701 n2 = n1.replace(
"\n",
'')
9704 from altgraph
import Graph, Dot
9705 graph = Graph.Graph()
9706 for i, v
in enumerate(g.get_vertices()):
9708 for i, v
in enumerate(g.get_vertices()):
9709 for n
in g.get_out_neighbors(v):
9710 graph.add_edge(v, n)
9711 dot = Dot.Dot(graph)
9712 for i, v
in enumerate(g.get_vertices()):
9713 dot.node_style(i, label=clean(g.get_vertex_name(v)))
9721 st = g.get_graphviz_string()
9722 with open(tfn,
"w")
as fh:
9725 print(
"running dot")
9726 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
9730 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")
9733 if platform.system() ==
"Darwin":
9736 cmd = [
"gv",
"acroread",
"xpdf"]
9739 print(
"launching viewer " + c)
9741 subprocess.check_call([c, tfon])
9747 print(
"Could not display file. It is saved at " + tfon)
9757 """Mark a Python module as deprecated.
9758 @note The `module` argument would normally be `__name__`.
9759 @see [deprecation support](@ref deprecation)."""
9761 "Module %s is deprecated. %s\n" % (module, help_message))
9764 """Python decorator to mark a class as deprecated.
9765 @see [deprecation support](@ref deprecation)."""
9767 orig_init = obj.__init__
9770 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
9771 def __init__(obj, *args, **keys):
9773 % (type(obj), help_message))
9774 orig_init(obj, *args, **keys)
9775 obj.__init__ = __init__
9780 """Python decorator to mark a method as deprecated.
9781 @see [deprecation support](@ref deprecation)."""
9782 def out_wrapper(obj):
9783 @functools.wraps(obj)
9784 def wrapper(cls, *args, **keys):
9786 % (obj.__name__, type(cls), help_message))
9787 return obj(cls, *args, **keys)
9792 """Python decorator to mark a function as deprecated.
9793 @see [deprecation support](@ref deprecation)."""
9794 def out_wrapper(obj):
9795 @functools.wraps(obj)
9796 def wrapper(*args, **keys):
9798 % (obj.__name__, help_message))
9799 return obj(*args, **keys)
9803 @contextlib.contextmanager
9805 """Context manager to temporarily allow (or disallow) deprecated code.
9806 @see [deprecation support](@ref deprecation)."""
9813 def _get_all_flags(ntokens):
9814 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
9815 return _IMP_kernel._get_all_flags(ntokens)
9817 def _print_internal_help(out, description):
9818 r"""_print_internal_help(_ostream out, std::string description)"""
9819 return _IMP_kernel._print_internal_help(out, description)
9825 class _PassThroughAction(argparse.Action):
9826 """Pass an argument through to the IMP Boost parser"""
9827 def __call__(self, parser, namespace, values, option_string=None):
9828 parser._boost_command_line.append(option_string)
9830 parser._boost_command_line.append(values)
9833 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
9834 parser._handle_boost()
9838 """IMP-specific subclass of argparse.ArgumentParser.
9839 This adds options common to all IMP applications
9840 (see IMP::setup_from_argv()).
9843 def __init__(self, *args, **kwargs):
9845 kwargs[
'add_help'] =
False
9846 super().__init__(*args, **kwargs)
9847 for ntoken
in (0, 1):
9848 flags = _get_all_flags(ntoken)
9850 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
9851 self.add_argument(*arg, help=argparse.SUPPRESS,
9852 nargs=
None if ntoken
else 0,
9853 action=_PassThroughAction,
9854 default=argparse.SUPPRESS)
9857 """Parse the command line and return optional and positional arguments.
9858 This functions in the same way as the method in the base class
9859 argparse.ArgumentParser, except that it also processes optional
9860 arguments common to all IMP applications (these are not returned
9861 in `args`, but can be obtained in the usual way, e.g. by calling
9862 IMP::get_string_flag()).
9865 self._boost_command_line = [sys.argv[0]]
9867 if len(self._boost_command_line) > 1:
9868 self._handle_boost()
9871 def _get_description(self):
9872 return self.format_help() +
"\nOptions common to all IMP applications:"
9874 def print_help(self, file=None):
9875 _print_internal_help(file
if file
else sys.stdout,
9876 self._get_description())
9878 def _handle_boost(self):
9880 self._get_description(),
9883 class RandomNumberGenerator(object):
9884 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
9886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9887 __repr__ = _swig_repr
9890 r"""seed(RandomNumberGenerator self, int x)"""
9891 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
9894 r"""__call__(RandomNumberGenerator self) -> int"""
9895 return _IMP_kernel.RandomNumberGenerator___call__(self)
9898 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
9899 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
9900 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
9903 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
9907 get_random_float_uniform() -> float
9908 get_random_float_uniform(float min, float max) -> float
9910 return _IMP_kernel.get_random_float_uniform(*args)
9914 get_random_double_uniform() -> double
9915 get_random_double_uniform(double min, double max) -> double
9917 return _IMP_kernel.get_random_double_uniform(*args)
9919 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
9920 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
9921 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
9923 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
9924 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
9925 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
9927 def get_random_floats_uniform(n):
9928 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
9929 return _IMP_kernel.get_random_floats_uniform(n)
9931 def get_random_doubles_uniform(n):
9932 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
9933 return _IMP_kernel.get_random_doubles_uniform(n)
9936 r"""get_random_seed() -> boost::uint64_t"""
9937 return _IMP_kernel.get_random_seed()
9939 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
9940 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9941 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
9943 def _get_floats_numpy(m, k, m_pyobj, read_only):
9944 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9945 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
9947 def _get_ints_numpy(m, k, m_pyobj, read_only):
9948 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9949 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
9951 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
9952 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9953 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
9955 def _get_spheres_numpy(m, m_pyobj, read_only):
9956 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9957 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
9959 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
9960 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9961 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
9963 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
9964 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9965 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
9967 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
9968 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9969 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
9973 ParticleIndex = numpy.intc
9979 """Warning for incomplete JAX support or different behavior of JAX code"""
9983 def get_module_name():
9984 r"""get_module_name() -> std::string const"""
9985 return _IMP_kernel.get_module_name()
9988 r"""get_module_version() -> std::string const"""
9989 return _IMP_kernel.get_module_version()
9992 r"""get_example_path(std::string fname) -> std::string"""
9993 return _IMP_kernel.get_example_path(fname)
9996 r"""get_data_path(std::string fname) -> std::string"""
9997 return _IMP_kernel.get_data_path(fname)
9999 from .
import _version_check
10004 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.
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.
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.
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)
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< 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.
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)
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)
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.
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 FloatKey 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.
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)
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.
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.