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()
853 if (modname ==
'IMP.core'
854 and type_name ==
'GenericBoundingBox3DSingletonScore'):
855 type_name =
'BoundingBox3DSingletonScore'
856 elif (modname ==
'IMP.core'
857 and type_name ==
'GenericAttributeSingletonScore'):
858 type_name =
'AttributeSingletonScore'
859 elif (modname ==
'IMP.core'
860 and type_name ==
'GenericBoundingSphere3DSingletonScore'):
861 type_name =
'BoundingSphere3DSingletonScore'
862 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
866 elif modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
867 type_name =
'_RestraintsScoringFunction'
868 modobj = sys.modules[modname]
869 clsobj = getattr(modobj, type_name)
870 return clsobj.get_from(self)
874 r"""__str__(Object self) -> std::string"""
875 return _IMP_kernel.Object___str__(self)
878 r"""__repr__(Object self) -> std::string"""
879 return _IMP_kernel.Object___repr__(self)
883 return _object_cast_to_Object(o)
885 def __disown__(self):
887 _IMP_kernel.disown_Object(self)
888 return weakref.proxy(self)
891 _IMP_kernel.Object_swigregister(Object)
892 class SetLogState(_RAII):
893 r"""Proxy of C++ IMP::SetLogState class."""
895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
898 r"""reset(SetLogState self)"""
899 return _IMP_kernel.SetLogState_reset(self)
900 __swig_destroy__ = _IMP_kernel.delete_SetLogState
902 def show(self, *args):
903 r"""show(SetLogState self, _ostream out=std::cout)"""
904 return _IMP_kernel.SetLogState_show(self, *args)
906 def __init__(self, *args):
908 __init__(SetLogState self) -> SetLogState
909 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
910 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
912 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
914 def set(self, *args):
916 set(SetLogState self, Object o, IMP::LogLevel l)
917 set(SetLogState self, IMP::LogLevel l)
919 return _IMP_kernel.SetLogState_set(self, *args)
923 def __exit__(self, exc_type, exc_val, exc_tb):
929 r"""__str__(SetLogState self) -> std::string"""
930 return _IMP_kernel.SetLogState___str__(self)
933 r"""__repr__(SetLogState self) -> std::string"""
934 return _IMP_kernel.SetLogState___repr__(self)
937 _IMP_kernel.SetLogState_swigregister(SetLogState)
938 class WarningContext(object):
939 r"""Proxy of C++ IMP::WarningContext class."""
941 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
942 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
944 def add_warning(self, key, warning):
945 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
946 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
948 def clear_warnings(self):
949 r"""clear_warnings(WarningContext self)"""
950 return _IMP_kernel.WarningContext_clear_warnings(self)
952 def dump_warnings(self):
953 r"""dump_warnings(WarningContext self)"""
954 return _IMP_kernel.WarningContext_dump_warnings(self)
955 __swig_destroy__ = _IMP_kernel.delete_WarningContext
957 def show(self, *args):
958 r"""show(WarningContext self, _ostream out=std::cout)"""
959 return _IMP_kernel.WarningContext_show(self, *args)
963 def __exit__(self, exc_type, exc_val, exc_tb):
969 r"""__str__(WarningContext self) -> std::string"""
970 return _IMP_kernel.WarningContext___str__(self)
973 r"""__repr__(WarningContext self) -> std::string"""
974 return _IMP_kernel.WarningContext___repr__(self)
977 r"""__init__(WarningContext self) -> WarningContext"""
978 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
981 _IMP_kernel.WarningContext_swigregister(WarningContext)
982 class CreateLogContext(_RAII):
983 r"""Proxy of C++ IMP::CreateLogContext class."""
985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
987 def __init__(self, *args):
989 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
990 __init__(CreateLogContext self) -> CreateLogContext
991 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
993 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
995 def set(self, fname, object=None):
996 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
997 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1000 r"""reset(CreateLogContext self)"""
1001 return _IMP_kernel.CreateLogContext_reset(self)
1002 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1004 def show(self, *args):
1005 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1006 return _IMP_kernel.CreateLogContext_show(self, *args)
1008 def __enter__(self):
1010 def __exit__(self, exc_type, exc_val, exc_tb):
1016 r"""__str__(CreateLogContext self) -> std::string"""
1017 return _IMP_kernel.CreateLogContext___str__(self)
1020 r"""__repr__(CreateLogContext self) -> std::string"""
1021 return _IMP_kernel.CreateLogContext___repr__(self)
1024 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1025 class SetCheckState(_RAII):
1026 r"""Proxy of C++ IMP::SetCheckState class."""
1028 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1031 r"""reset(SetCheckState self)"""
1032 return _IMP_kernel.SetCheckState_reset(self)
1033 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1035 def show(self, *args):
1036 r"""show(SetCheckState self, _ostream out=std::cout)"""
1037 return _IMP_kernel.SetCheckState_show(self, *args)
1039 def __init__(self, *args):
1041 __init__(SetCheckState self) -> SetCheckState
1042 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1043 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1045 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1047 def set(self, *args):
1049 set(SetCheckState self, Object o, IMP::CheckLevel l)
1050 set(SetCheckState self, IMP::CheckLevel l)
1052 return _IMP_kernel.SetCheckState_set(self, *args)
1054 def __enter__(self):
1056 def __exit__(self, exc_type, exc_val, exc_tb):
1062 r"""__str__(SetCheckState self) -> std::string"""
1063 return _IMP_kernel.SetCheckState___str__(self)
1066 r"""__repr__(SetCheckState self) -> std::string"""
1067 return _IMP_kernel.SetCheckState___repr__(self)
1070 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1073 r"""get_unique_name(std::string templ) -> std::string"""
1074 return _IMP_kernel.get_unique_name(templ)
1077 r"""get_copyright() -> std::string"""
1078 return _IMP_kernel.get_copyright()
1079 class _Protection(object):
1080 r"""Proxy of C++ IMP::internal::_Protection class."""
1082 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1084 def __init__(self, *args, **kwargs):
1085 raise AttributeError(
"No constructor defined")
1087 def show(self, *args):
1088 r"""show(_Protection self, _ostream out=std::cout)"""
1089 return _IMP_kernel._Protection_show(self, *args)
1092 r"""__str__(_Protection self) -> std::string"""
1093 return _IMP_kernel._Protection___str__(self)
1096 r"""__repr__(_Protection self) -> std::string"""
1097 return _IMP_kernel._Protection___repr__(self)
1098 __swig_destroy__ = _IMP_kernel.delete__Protection
1101 _IMP_kernel._Protection_swigregister(_Protection)
1105 return _IMP_kernel._test_log()
1107 def _test_intranges(ips):
1108 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1109 return _IMP_kernel._test_intranges(ips)
1111 def _test_intrange(*args):
1113 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1114 _test_intrange() -> IMP::IntRange
1116 return _IMP_kernel._test_intrange(*args)
1119 r"""_test_ifile(TextInput a) -> std::string"""
1120 return _IMP_kernel._test_ifile(a)
1123 r"""_test_ofile(TextOutput a) -> std::string"""
1124 return _IMP_kernel._test_ofile(a)
1126 def _test_ifile_overloaded(*args):
1128 _test_ifile_overloaded(TextInput a, int i) -> std::string
1129 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1131 return _IMP_kernel._test_ifile_overloaded(*args)
1133 def _test_ofile_overloaded(*args):
1135 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1136 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1138 return _IMP_kernel._test_ofile_overloaded(*args)
1139 class _TestValue(object):
1140 r"""Proxy of C++ IMP::internal::_TestValue class."""
1142 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1144 def __init__(self, i):
1145 r"""__init__(_TestValue self, int i) -> _TestValue"""
1146 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1148 def show(self, *args):
1149 r"""show(_TestValue self, _ostream out=std::cout)"""
1150 return _IMP_kernel._TestValue_show(self, *args)
1152 def __cmp__(self, o):
1153 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1154 return _IMP_kernel._TestValue___cmp__(self, o)
1156 def __eq__(self, o):
1157 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1158 return _IMP_kernel._TestValue___eq__(self, o)
1160 def __ne__(self, o):
1161 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1162 return _IMP_kernel._TestValue___ne__(self, o)
1164 def __lt__(self, o):
1165 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1166 return _IMP_kernel._TestValue___lt__(self, o)
1168 def __gt__(self, o):
1169 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1170 return _IMP_kernel._TestValue___gt__(self, o)
1172 def __ge__(self, o):
1173 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1174 return _IMP_kernel._TestValue___ge__(self, o)
1176 def __le__(self, o):
1177 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1178 return _IMP_kernel._TestValue___le__(self, o)
1181 r"""get(_TestValue self) -> int"""
1182 return _IMP_kernel._TestValue_get(self)
1184 def get_float(self):
1185 r"""get_float(_TestValue self) -> float const &"""
1186 return _IMP_kernel._TestValue_get_float(self)
1188 def get_double(self):
1189 r"""get_double(_TestValue self) -> double const &"""
1190 return _IMP_kernel._TestValue_get_double(self)
1192 def get_Float(self):
1193 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1194 return _IMP_kernel._TestValue_get_Float(self)
1197 r"""get_int(_TestValue self) -> int const &"""
1198 return _IMP_kernel._TestValue_get_int(self)
1201 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1202 return _IMP_kernel._TestValue_get_Int(self)
1204 def get_string(self):
1205 r"""get_string(_TestValue self) -> std::string const &"""
1206 return _IMP_kernel._TestValue_get_string(self)
1208 def get_String(self):
1209 r"""get_String(_TestValue self) -> IMP::String const &"""
1210 return _IMP_kernel._TestValue_get_String(self)
1213 r"""__str__(_TestValue self) -> std::string"""
1214 return _IMP_kernel._TestValue___str__(self)
1217 r"""__repr__(_TestValue self) -> std::string"""
1218 return _IMP_kernel._TestValue___repr__(self)
1219 __swig_destroy__ = _IMP_kernel.delete__TestValue
1222 _IMP_kernel._TestValue_swigregister(_TestValue)
1224 def _pass_plain_pair(p):
1225 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1226 return _IMP_kernel._pass_plain_pair(p)
1228 def _pass_overloaded_strings(*args):
1230 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1231 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1233 return _IMP_kernel._pass_overloaded_strings(*args)
1236 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1237 return _IMP_kernel._pass_pair(p)
1239 def _pass_floats(input):
1240 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1241 return _IMP_kernel._pass_floats(input)
1243 def _pass_ints(input):
1244 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1245 return _IMP_kernel._pass_ints(input)
1247 def _pass_ints_list(input):
1248 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1249 return _IMP_kernel._pass_ints_list(input)
1251 def _pass_ints_lists(input):
1252 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1253 return _IMP_kernel._pass_ints_lists(input)
1255 def _pass_strings(input):
1256 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1257 return _IMP_kernel._pass_strings(input)
1258 class _TestObject(
Object):
1259 r"""Proxy of C++ IMP::internal::_TestObject class."""
1261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1264 r"""__init__(_TestObject self) -> _TestObject"""
1265 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1268 r"""get_version_info(_TestObject self) -> VersionInfo"""
1269 return _IMP_kernel._TestObject_get_version_info(self)
1270 __swig_destroy__ = _IMP_kernel.delete__TestObject
1273 r"""__str__(_TestObject self) -> std::string"""
1274 return _IMP_kernel._TestObject___str__(self)
1277 r"""__repr__(_TestObject self) -> std::string"""
1278 return _IMP_kernel._TestObject___repr__(self)
1282 return _object_cast_to__TestObject(o)
1286 _IMP_kernel._TestObject_swigregister(_TestObject)
1289 r"""get_live_object_names() -> IMP::Strings"""
1290 return _IMP_kernel.get_live_object_names()
1293 r"""get_live_objects() -> IMP::Objects"""
1294 return _IMP_kernel.get_live_objects()
1297 r"""set_show_leaked_objects(bool tf)"""
1298 return _IMP_kernel.set_show_leaked_objects(tf)
1301 r"""set_deprecation_warnings(bool tf)"""
1302 return _IMP_kernel.set_deprecation_warnings(tf)
1305 r"""set_deprecation_exceptions(bool tf)"""
1306 return _IMP_kernel.set_deprecation_exceptions(tf)
1309 r"""get_deprecation_exceptions() -> bool"""
1310 return _IMP_kernel.get_deprecation_exceptions()
1313 r"""handle_use_deprecated(std::string message)"""
1314 return _IMP_kernel.handle_use_deprecated(message)
1317 r"""get_number_of_threads() -> unsigned int"""
1318 return _IMP_kernel.get_number_of_threads()
1321 r"""set_number_of_threads(unsigned int n)"""
1322 return _IMP_kernel.set_number_of_threads(n)
1323 class SetNumberOfThreads(_RAII):
1324 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1328 def __init__(self, *args):
1330 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1331 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1333 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1336 r"""set(SetNumberOfThreads self, unsigned int n)"""
1337 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1340 r"""reset(SetNumberOfThreads self)"""
1341 return _IMP_kernel.SetNumberOfThreads_reset(self)
1342 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1344 def show(self, *args):
1345 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1346 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1348 def __enter__(self):
1350 def __exit__(self, exc_type, exc_val, exc_tb):
1356 r"""__str__(SetNumberOfThreads self) -> std::string"""
1357 return _IMP_kernel.SetNumberOfThreads___str__(self)
1360 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1361 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1364 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1367 i_m_p=
"IMP_MODULE_PATH"
1368 if i_m_p
in os.environ.keys():
1369 __path__.insert(0, os.environ[i_m_p])
1371 def _forward_add_attribute(self, name, value, opt=None):
1373 self.get_particle().add_attribute(name, value, opt)
1375 self.get_particle().add_attribute(name, value)
1376 def _forward_get_value(self, name):
1377 self.get_particle().get_value(name)
1378 def _forward_set_value(self, name, value):
1379 self.get_particle().set_value(name, value)
1385 _object_types.append(
"Constraint")
1388 def _object_cast_to_Constraint(o):
1389 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1390 return _IMP_kernel._object_cast_to_Constraint(o)
1392 _object_types.append(
"Undecorator")
1395 def _object_cast_to_Undecorator(o):
1396 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1397 return _IMP_kernel._object_cast_to_Undecorator(o)
1399 _object_types.append(
"Container")
1402 def _object_cast_to_Container(o):
1403 r"""_object_cast_to_Container(Object o) -> Container"""
1404 return _IMP_kernel._object_cast_to_Container(o)
1406 _object_types.append(
"Optimizer")
1409 def _object_cast_to_Optimizer(o):
1410 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1411 return _IMP_kernel._object_cast_to_Optimizer(o)
1413 _object_types.append(
"AttributeOptimizer")
1416 def _object_cast_to_AttributeOptimizer(o):
1417 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1418 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1420 _object_types.append(
"OptimizerState")
1423 def _object_cast_to_OptimizerState(o):
1424 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1425 return _IMP_kernel._object_cast_to_OptimizerState(o)
1427 _object_types.append(
"PairContainer")
1430 def _object_cast_to_PairContainer(o):
1431 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1432 return _IMP_kernel._object_cast_to_PairContainer(o)
1434 _object_types.append(
"PairModifier")
1437 def _object_cast_to_PairModifier(o):
1438 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1439 return _IMP_kernel._object_cast_to_PairModifier(o)
1441 _object_types.append(
"PairScore")
1444 def _object_cast_to_PairScore(o):
1445 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1446 return _IMP_kernel._object_cast_to_PairScore(o)
1448 _object_types.append(
"QuadContainer")
1451 def _object_cast_to_QuadContainer(o):
1452 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1453 return _IMP_kernel._object_cast_to_QuadContainer(o)
1455 _object_types.append(
"QuadModifier")
1458 def _object_cast_to_QuadModifier(o):
1459 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1460 return _IMP_kernel._object_cast_to_QuadModifier(o)
1462 _object_types.append(
"QuadScore")
1465 def _object_cast_to_QuadScore(o):
1466 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1467 return _IMP_kernel._object_cast_to_QuadScore(o)
1469 _object_types.append(
"Refiner")
1472 def _object_cast_to_Refiner(o):
1473 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1474 return _IMP_kernel._object_cast_to_Refiner(o)
1476 _object_types.append(
"Restraint")
1479 def _object_cast_to_Restraint(o):
1480 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1481 return _IMP_kernel._object_cast_to_Restraint(o)
1483 _object_types.append(
"Sampler")
1486 def _object_cast_to_Sampler(o):
1487 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1488 return _IMP_kernel._object_cast_to_Sampler(o)
1490 _object_types.append(
"ScoreState")
1493 def _object_cast_to_ScoreState(o):
1494 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1495 return _IMP_kernel._object_cast_to_ScoreState(o)
1497 _object_types.append(
"SingletonContainer")
1500 def _object_cast_to_SingletonContainer(o):
1501 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
1502 return _IMP_kernel._object_cast_to_SingletonContainer(o)
1504 _object_types.append(
"SingletonModifier")
1507 def _object_cast_to_SingletonModifier(o):
1508 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
1509 return _IMP_kernel._object_cast_to_SingletonModifier(o)
1511 _object_types.append(
"SingletonScore")
1514 def _object_cast_to_SingletonScore(o):
1515 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
1516 return _IMP_kernel._object_cast_to_SingletonScore(o)
1518 _object_types.append(
"TripletContainer")
1521 def _object_cast_to_TripletContainer(o):
1522 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
1523 return _IMP_kernel._object_cast_to_TripletContainer(o)
1525 _object_types.append(
"TripletModifier")
1528 def _object_cast_to_TripletModifier(o):
1529 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
1530 return _IMP_kernel._object_cast_to_TripletModifier(o)
1532 _object_types.append(
"TripletScore")
1535 def _object_cast_to_TripletScore(o):
1536 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
1537 return _IMP_kernel._object_cast_to_TripletScore(o)
1539 _object_types.append(
"UnaryFunction")
1542 def _object_cast_to_UnaryFunction(o):
1543 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
1544 return _IMP_kernel._object_cast_to_UnaryFunction(o)
1546 _object_types.append(
"RestraintInfo")
1549 def _object_cast_to_RestraintInfo(o):
1550 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
1551 return _IMP_kernel._object_cast_to_RestraintInfo(o)
1553 _object_types.append(
"ConfigurationSet")
1556 def _object_cast_to_ConfigurationSet(o):
1557 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
1558 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
1560 _object_types.append(
"Configuration")
1563 def _object_cast_to_Configuration(o):
1564 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
1565 return _IMP_kernel._object_cast_to_Configuration(o)
1567 _object_types.append(
"Model")
1570 def _object_cast_to_Model(o):
1571 r"""_object_cast_to_Model(Object o) -> Model"""
1572 return _IMP_kernel._object_cast_to_Model(o)
1574 _object_types.append(
"Particle")
1577 def _object_cast_to_Particle(o):
1578 r"""_object_cast_to_Particle(Object o) -> Particle"""
1579 return _IMP_kernel._object_cast_to_Particle(o)
1581 _object_types.append(
"RestraintSet")
1584 def _object_cast_to_RestraintSet(o):
1585 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
1586 return _IMP_kernel._object_cast_to_RestraintSet(o)
1588 ParticlePairsTemp=list
1589 _plural_types.append(
"ParticlePairsTemp")
1590 _value_types.append(
"ParticlePair")
1593 ParticleTripletsTemp=list
1594 _plural_types.append(
"ParticleTripletsTemp")
1595 _value_types.append(
"ParticleTriplet")
1598 ParticleQuadsTemp=list
1599 _plural_types.append(
"ParticleQuadsTemp")
1600 _value_types.append(
"ParticleQuad")
1603 ParticleIndexPairs=list
1604 _plural_types.append(
"ParticleIndexPairs")
1605 _value_types.append(
"ParticleIndexPair")
1608 ParticleIndexTriplets=list
1609 _plural_types.append(
"ParticleIndexTriplets")
1610 _value_types.append(
"ParticleIndexTriplet")
1613 ParticleIndexQuads=list
1614 _plural_types.append(
"ParticleIndexQuads")
1615 _value_types.append(
"ParticleIndexQuad")
1618 _object_types.append(
"SingletonPredicate")
1621 def _object_cast_to_SingletonPredicate(o):
1622 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
1623 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
1625 _object_types.append(
"PairPredicate")
1628 def _object_cast_to_PairPredicate(o):
1629 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
1630 return _IMP_kernel._object_cast_to_PairPredicate(o)
1632 _object_types.append(
"TripletPredicate")
1635 def _object_cast_to_TripletPredicate(o):
1636 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
1637 return _IMP_kernel._object_cast_to_TripletPredicate(o)
1639 _object_types.append(
"QuadPredicate")
1642 def _object_cast_to_QuadPredicate(o):
1643 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
1644 return _IMP_kernel._object_cast_to_QuadPredicate(o)
1646 _object_types.append(
"SaveToConfigurationSetOptimizerState")
1649 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
1650 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
1651 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
1653 EvaluationStates=list
1654 _plural_types.append(
"EvaluationStates")
1655 _value_types.append(
"EvaluationState")
1658 ScoreAccumulators=list
1659 _plural_types.append(
"ScoreAccumulators")
1660 _value_types.append(
"ScoreAccumulator")
1663 ParticleIndexes=list
1664 _plural_types.append(
"ParticleIndexes")
1665 _value_types.append(
"ParticleIndex")
1669 _plural_types.append(
"FloatIndexes")
1670 _value_types.append(
"FloatIndex")
1674 _plural_types.append(
"FloatKeys")
1675 _value_types.append(
"FloatKey")
1679 _plural_types.append(
"FloatsKeys")
1680 _value_types.append(
"FloatsKey")
1684 _plural_types.append(
"IntKeys")
1685 _value_types.append(
"IntKey")
1689 _plural_types.append(
"IntsKeys")
1690 _value_types.append(
"IntsKey")
1694 _plural_types.append(
"StringKeys")
1695 _value_types.append(
"StringKey")
1698 ParticleIndexKeys=list
1699 _plural_types.append(
"ParticleIndexKeys")
1700 _value_types.append(
"ParticleIndexKey")
1703 ParticleIndexesKeys=list
1704 _plural_types.append(
"ParticleIndexesKeys")
1705 _value_types.append(
"ParticleIndexesKey")
1709 _plural_types.append(
"ObjectKeys")
1710 _value_types.append(
"ObjectKey")
1714 _plural_types.append(
"ModelKeys")
1715 _value_types.append(
"ModelKey")
1719 _plural_types.append(
"TriggerKeys")
1720 _value_types.append(
"TriggerKey")
1723 SparseFloatKeys=list
1724 _plural_types.append(
"SparseFloatKeys")
1725 _value_types.append(
"SparseFloatKey")
1729 _plural_types.append(
"SparseIntKeys")
1730 _value_types.append(
"SparseIntKey")
1733 SparseStringKeys=list
1734 _plural_types.append(
"SparseStringKeys")
1735 _value_types.append(
"SparseStringKey")
1738 SparseParticleIndexKeys=list
1739 _plural_types.append(
"SparseParticleIndexKeys")
1740 _value_types.append(
"SparseParticleIndexKey")
1744 _plural_types.append(
"Vector3DKeys")
1745 _value_types.append(
"Vector3DKey")
1748 _raii_types.append(
"ScopedSetFloatAttribute")
1751 _object_types.append(
"ScoringFunction")
1754 def _object_cast_to_ScoringFunction(o):
1755 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
1756 return _IMP_kernel._object_cast_to_ScoringFunction(o)
1758 _object_types.append(
"ModelObject")
1761 def _object_cast_to_ModelObject(o):
1762 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
1763 return _IMP_kernel._object_cast_to_ModelObject(o)
1765 _object_types.append(
"_RestraintsScoringFunction")
1768 def _object_cast_to__RestraintsScoringFunction(o):
1769 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
1770 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
1772 def _TrivialDecorators(l=[]):
1773 return [_TrivialDecorator(x)
for x
in l]
1774 _plural_types.append(
"_TrivialDecorators")
1777 _value_types.append(
"_TrivialDecorator")
1780 def _TrivialDerivedDecorators(l=[]):
1781 return [_TrivialDerivedDecorator(x)
for x
in l]
1782 _plural_types.append(
"_TrivialDerivedDecorators")
1785 _value_types.append(
"_TrivialDerivedDecorator")
1788 def _TrivialTraitsDecorators(l=[]):
1789 return [_TrivialTraitsDecorator(x)
for x
in l]
1790 _plural_types.append(
"_TrivialTraitsDecorators")
1793 _value_types.append(
"_TrivialTraitsDecorator")
1796 _object_types.append(
"_ConstRestraint")
1799 def _object_cast_to__ConstRestraint(o):
1800 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
1801 return _IMP_kernel._object_cast_to__ConstRestraint(o)
1803 _object_types.append(
"_ConstOptimizer")
1806 def _object_cast_to__ConstOptimizer(o):
1807 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
1808 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
1810 _object_types.append(
"_ConstSingletonScore")
1813 def _object_cast_to__ConstSingletonScore(o):
1814 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
1815 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
1817 _object_types.append(
"_ConstPairScore")
1820 def _object_cast_to__ConstPairScore(o):
1821 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
1822 return _IMP_kernel._object_cast_to__ConstPairScore(o)
1824 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
1826 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1827 __repr__ = _swig_repr
1830 r"""__init__(DependencyGraph self) -> DependencyGraph"""
1831 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
1833 def get_graph(self):
1834 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
1835 return _IMP_kernel.DependencyGraph_get_graph(self)
1838 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
1839 return _IMP_kernel.DependencyGraph_get_vertices(self)
1841 def get_vertex_name(self, i):
1842 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
1843 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
1845 def get_in_neighbors(self, v):
1846 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"""
1847 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
1849 def get_out_neighbors(self, v):
1850 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"""
1851 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
1854 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
1855 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
1857 def get_graphviz_string(self):
1858 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
1859 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
1861 def add_edge(self, v0, v1):
1862 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)"""
1863 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
1865 def add_vertex(self, l):
1866 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
1867 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
1869 def remove_vertex(self, l):
1870 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
1871 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
1872 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
1875 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
1877 _value_types.append(
"DependencyGraph")
1880 r"""Proxy of C++ IMP::Key< 0 > class."""
1882 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1884 def __init__(self, *args):
1886 __init__(FloatKey self) -> FloatKey
1887 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
1888 __init__(FloatKey self, unsigned int i) -> FloatKey
1890 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
1894 r"""add_key(std::string sc) -> unsigned int"""
1895 return _IMP_kernel.FloatKey_add_key(sc)
1898 def get_key_exists(sc):
1899 r"""get_key_exists(std::string sc) -> bool"""
1900 return _IMP_kernel.FloatKey_get_key_exists(sc)
1902 def get_string(self):
1903 r"""get_string(FloatKey self) -> std::string const"""
1904 return _IMP_kernel.FloatKey_get_string(self)
1906 def __cmp__(self, o):
1907 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
1908 return _IMP_kernel.FloatKey___cmp__(self, o)
1910 def __eq__(self, o):
1911 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
1912 return _IMP_kernel.FloatKey___eq__(self, o)
1914 def __ne__(self, o):
1915 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
1916 return _IMP_kernel.FloatKey___ne__(self, o)
1918 def __lt__(self, o):
1919 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
1920 return _IMP_kernel.FloatKey___lt__(self, o)
1922 def __gt__(self, o):
1923 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
1924 return _IMP_kernel.FloatKey___gt__(self, o)
1926 def __ge__(self, o):
1927 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
1928 return _IMP_kernel.FloatKey___ge__(self, o)
1930 def __le__(self, o):
1931 r"""__le__(FloatKey self, FloatKey o) -> bool"""
1932 return _IMP_kernel.FloatKey___le__(self, o)
1935 r"""__hash__(FloatKey self) -> std::size_t"""
1936 return _IMP_kernel.FloatKey___hash__(self)
1938 def show(self, *args):
1939 r"""show(FloatKey self, _ostream out=std::cout)"""
1940 return _IMP_kernel.FloatKey_show(self, *args)
1943 def add_alias(old_key, new_name):
1944 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
1945 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
1948 def get_number_of_keys():
1949 r"""get_number_of_keys() -> unsigned int"""
1950 return _IMP_kernel.FloatKey_get_number_of_keys()
1953 r"""get_index(FloatKey self) -> unsigned int"""
1954 return _IMP_kernel.FloatKey_get_index(self)
1958 r"""show_all(_ostream out)"""
1959 return _IMP_kernel.FloatKey_show_all(out)
1962 def get_all_strings():
1963 r"""get_all_strings() -> IMP::Vector< std::string >"""
1964 return _IMP_kernel.FloatKey_get_all_strings()
1967 def get_number_unique():
1968 r"""get_number_unique() -> unsigned int"""
1969 return _IMP_kernel.FloatKey_get_number_unique()
1972 r"""__str__(FloatKey self) -> std::string"""
1973 return _IMP_kernel.FloatKey___str__(self)
1976 r"""__repr__(FloatKey self) -> std::string"""
1977 return _IMP_kernel.FloatKey___repr__(self)
1978 __swig_destroy__ = _IMP_kernel.delete_FloatKey
1981 _IMP_kernel.FloatKey_swigregister(FloatKey)
1983 r"""Proxy of C++ IMP::Key< 1 > class."""
1985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1987 def __init__(self, *args):
1989 __init__(IntKey self) -> IntKey
1990 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
1991 __init__(IntKey self, unsigned int i) -> IntKey
1993 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
1997 r"""add_key(std::string sc) -> unsigned int"""
1998 return _IMP_kernel.IntKey_add_key(sc)
2001 def get_key_exists(sc):
2002 r"""get_key_exists(std::string sc) -> bool"""
2003 return _IMP_kernel.IntKey_get_key_exists(sc)
2005 def get_string(self):
2006 r"""get_string(IntKey self) -> std::string const"""
2007 return _IMP_kernel.IntKey_get_string(self)
2009 def __cmp__(self, o):
2010 r"""__cmp__(IntKey self, IntKey o) -> int"""
2011 return _IMP_kernel.IntKey___cmp__(self, o)
2013 def __eq__(self, o):
2014 r"""__eq__(IntKey self, IntKey o) -> bool"""
2015 return _IMP_kernel.IntKey___eq__(self, o)
2017 def __ne__(self, o):
2018 r"""__ne__(IntKey self, IntKey o) -> bool"""
2019 return _IMP_kernel.IntKey___ne__(self, o)
2021 def __lt__(self, o):
2022 r"""__lt__(IntKey self, IntKey o) -> bool"""
2023 return _IMP_kernel.IntKey___lt__(self, o)
2025 def __gt__(self, o):
2026 r"""__gt__(IntKey self, IntKey o) -> bool"""
2027 return _IMP_kernel.IntKey___gt__(self, o)
2029 def __ge__(self, o):
2030 r"""__ge__(IntKey self, IntKey o) -> bool"""
2031 return _IMP_kernel.IntKey___ge__(self, o)
2033 def __le__(self, o):
2034 r"""__le__(IntKey self, IntKey o) -> bool"""
2035 return _IMP_kernel.IntKey___le__(self, o)
2038 r"""__hash__(IntKey self) -> std::size_t"""
2039 return _IMP_kernel.IntKey___hash__(self)
2041 def show(self, *args):
2042 r"""show(IntKey self, _ostream out=std::cout)"""
2043 return _IMP_kernel.IntKey_show(self, *args)
2046 def add_alias(old_key, new_name):
2047 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2048 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2051 def get_number_of_keys():
2052 r"""get_number_of_keys() -> unsigned int"""
2053 return _IMP_kernel.IntKey_get_number_of_keys()
2056 r"""get_index(IntKey self) -> unsigned int"""
2057 return _IMP_kernel.IntKey_get_index(self)
2061 r"""show_all(_ostream out)"""
2062 return _IMP_kernel.IntKey_show_all(out)
2065 def get_all_strings():
2066 r"""get_all_strings() -> IMP::Vector< std::string >"""
2067 return _IMP_kernel.IntKey_get_all_strings()
2070 def get_number_unique():
2071 r"""get_number_unique() -> unsigned int"""
2072 return _IMP_kernel.IntKey_get_number_unique()
2075 r"""__str__(IntKey self) -> std::string"""
2076 return _IMP_kernel.IntKey___str__(self)
2079 r"""__repr__(IntKey self) -> std::string"""
2080 return _IMP_kernel.IntKey___repr__(self)
2081 __swig_destroy__ = _IMP_kernel.delete_IntKey
2084 _IMP_kernel.IntKey_swigregister(IntKey)
2086 r"""Proxy of C++ IMP::Key< 2 > class."""
2088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2090 def __init__(self, *args):
2092 __init__(StringKey self) -> StringKey
2093 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2094 __init__(StringKey self, unsigned int i) -> StringKey
2096 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2100 r"""add_key(std::string sc) -> unsigned int"""
2101 return _IMP_kernel.StringKey_add_key(sc)
2104 def get_key_exists(sc):
2105 r"""get_key_exists(std::string sc) -> bool"""
2106 return _IMP_kernel.StringKey_get_key_exists(sc)
2108 def get_string(self):
2109 r"""get_string(StringKey self) -> std::string const"""
2110 return _IMP_kernel.StringKey_get_string(self)
2112 def __cmp__(self, o):
2113 r"""__cmp__(StringKey self, StringKey o) -> int"""
2114 return _IMP_kernel.StringKey___cmp__(self, o)
2116 def __eq__(self, o):
2117 r"""__eq__(StringKey self, StringKey o) -> bool"""
2118 return _IMP_kernel.StringKey___eq__(self, o)
2120 def __ne__(self, o):
2121 r"""__ne__(StringKey self, StringKey o) -> bool"""
2122 return _IMP_kernel.StringKey___ne__(self, o)
2124 def __lt__(self, o):
2125 r"""__lt__(StringKey self, StringKey o) -> bool"""
2126 return _IMP_kernel.StringKey___lt__(self, o)
2128 def __gt__(self, o):
2129 r"""__gt__(StringKey self, StringKey o) -> bool"""
2130 return _IMP_kernel.StringKey___gt__(self, o)
2132 def __ge__(self, o):
2133 r"""__ge__(StringKey self, StringKey o) -> bool"""
2134 return _IMP_kernel.StringKey___ge__(self, o)
2136 def __le__(self, o):
2137 r"""__le__(StringKey self, StringKey o) -> bool"""
2138 return _IMP_kernel.StringKey___le__(self, o)
2141 r"""__hash__(StringKey self) -> std::size_t"""
2142 return _IMP_kernel.StringKey___hash__(self)
2144 def show(self, *args):
2145 r"""show(StringKey self, _ostream out=std::cout)"""
2146 return _IMP_kernel.StringKey_show(self, *args)
2149 def add_alias(old_key, new_name):
2150 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2151 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2154 def get_number_of_keys():
2155 r"""get_number_of_keys() -> unsigned int"""
2156 return _IMP_kernel.StringKey_get_number_of_keys()
2159 r"""get_index(StringKey self) -> unsigned int"""
2160 return _IMP_kernel.StringKey_get_index(self)
2164 r"""show_all(_ostream out)"""
2165 return _IMP_kernel.StringKey_show_all(out)
2168 def get_all_strings():
2169 r"""get_all_strings() -> IMP::Vector< std::string >"""
2170 return _IMP_kernel.StringKey_get_all_strings()
2173 def get_number_unique():
2174 r"""get_number_unique() -> unsigned int"""
2175 return _IMP_kernel.StringKey_get_number_unique()
2178 r"""__str__(StringKey self) -> std::string"""
2179 return _IMP_kernel.StringKey___str__(self)
2182 r"""__repr__(StringKey self) -> std::string"""
2183 return _IMP_kernel.StringKey___repr__(self)
2184 __swig_destroy__ = _IMP_kernel.delete_StringKey
2187 _IMP_kernel.StringKey_swigregister(StringKey)
2189 r"""Proxy of C++ IMP::Key< 3 > class."""
2191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2193 def __init__(self, *args):
2195 __init__(ParticleIndexKey self) -> ParticleIndexKey
2196 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2197 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2199 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2203 r"""add_key(std::string sc) -> unsigned int"""
2204 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2207 def get_key_exists(sc):
2208 r"""get_key_exists(std::string sc) -> bool"""
2209 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2211 def get_string(self):
2212 r"""get_string(ParticleIndexKey self) -> std::string const"""
2213 return _IMP_kernel.ParticleIndexKey_get_string(self)
2215 def __cmp__(self, o):
2216 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2217 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2219 def __eq__(self, o):
2220 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2221 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2223 def __ne__(self, o):
2224 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2225 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2227 def __lt__(self, o):
2228 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2229 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2231 def __gt__(self, o):
2232 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2233 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2235 def __ge__(self, o):
2236 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2237 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2239 def __le__(self, o):
2240 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2241 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2244 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2245 return _IMP_kernel.ParticleIndexKey___hash__(self)
2247 def show(self, *args):
2248 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2249 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2252 def add_alias(old_key, new_name):
2253 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2254 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2257 def get_number_of_keys():
2258 r"""get_number_of_keys() -> unsigned int"""
2259 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2262 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2263 return _IMP_kernel.ParticleIndexKey_get_index(self)
2267 r"""show_all(_ostream out)"""
2268 return _IMP_kernel.ParticleIndexKey_show_all(out)
2271 def get_all_strings():
2272 r"""get_all_strings() -> IMP::Vector< std::string >"""
2273 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2276 def get_number_unique():
2277 r"""get_number_unique() -> unsigned int"""
2278 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2281 r"""__str__(ParticleIndexKey self) -> std::string"""
2282 return _IMP_kernel.ParticleIndexKey___str__(self)
2285 r"""__repr__(ParticleIndexKey self) -> std::string"""
2286 return _IMP_kernel.ParticleIndexKey___repr__(self)
2287 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2290 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2292 r"""Proxy of C++ IMP::Key< 4 > class."""
2294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2296 def __init__(self, *args):
2298 __init__(ObjectKey self) -> ObjectKey
2299 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2300 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2302 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2306 r"""add_key(std::string sc) -> unsigned int"""
2307 return _IMP_kernel.ObjectKey_add_key(sc)
2310 def get_key_exists(sc):
2311 r"""get_key_exists(std::string sc) -> bool"""
2312 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2314 def get_string(self):
2315 r"""get_string(ObjectKey self) -> std::string const"""
2316 return _IMP_kernel.ObjectKey_get_string(self)
2318 def __cmp__(self, o):
2319 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2320 return _IMP_kernel.ObjectKey___cmp__(self, o)
2322 def __eq__(self, o):
2323 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2324 return _IMP_kernel.ObjectKey___eq__(self, o)
2326 def __ne__(self, o):
2327 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2328 return _IMP_kernel.ObjectKey___ne__(self, o)
2330 def __lt__(self, o):
2331 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2332 return _IMP_kernel.ObjectKey___lt__(self, o)
2334 def __gt__(self, o):
2335 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2336 return _IMP_kernel.ObjectKey___gt__(self, o)
2338 def __ge__(self, o):
2339 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2340 return _IMP_kernel.ObjectKey___ge__(self, o)
2342 def __le__(self, o):
2343 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2344 return _IMP_kernel.ObjectKey___le__(self, o)
2347 r"""__hash__(ObjectKey self) -> std::size_t"""
2348 return _IMP_kernel.ObjectKey___hash__(self)
2350 def show(self, *args):
2351 r"""show(ObjectKey self, _ostream out=std::cout)"""
2352 return _IMP_kernel.ObjectKey_show(self, *args)
2355 def add_alias(old_key, new_name):
2356 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2357 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2360 def get_number_of_keys():
2361 r"""get_number_of_keys() -> unsigned int"""
2362 return _IMP_kernel.ObjectKey_get_number_of_keys()
2365 r"""get_index(ObjectKey self) -> unsigned int"""
2366 return _IMP_kernel.ObjectKey_get_index(self)
2370 r"""show_all(_ostream out)"""
2371 return _IMP_kernel.ObjectKey_show_all(out)
2374 def get_all_strings():
2375 r"""get_all_strings() -> IMP::Vector< std::string >"""
2376 return _IMP_kernel.ObjectKey_get_all_strings()
2379 def get_number_unique():
2380 r"""get_number_unique() -> unsigned int"""
2381 return _IMP_kernel.ObjectKey_get_number_unique()
2384 r"""__str__(ObjectKey self) -> std::string"""
2385 return _IMP_kernel.ObjectKey___str__(self)
2388 r"""__repr__(ObjectKey self) -> std::string"""
2389 return _IMP_kernel.ObjectKey___repr__(self)
2390 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2393 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2395 r"""Proxy of C++ IMP::Key< 5 > class."""
2397 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2399 def __init__(self, *args):
2401 __init__(IntsKey self) -> IntsKey
2402 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2403 __init__(IntsKey self, unsigned int i) -> IntsKey
2405 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2409 r"""add_key(std::string sc) -> unsigned int"""
2410 return _IMP_kernel.IntsKey_add_key(sc)
2413 def get_key_exists(sc):
2414 r"""get_key_exists(std::string sc) -> bool"""
2415 return _IMP_kernel.IntsKey_get_key_exists(sc)
2417 def get_string(self):
2418 r"""get_string(IntsKey self) -> std::string const"""
2419 return _IMP_kernel.IntsKey_get_string(self)
2421 def __cmp__(self, o):
2422 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2423 return _IMP_kernel.IntsKey___cmp__(self, o)
2425 def __eq__(self, o):
2426 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2427 return _IMP_kernel.IntsKey___eq__(self, o)
2429 def __ne__(self, o):
2430 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2431 return _IMP_kernel.IntsKey___ne__(self, o)
2433 def __lt__(self, o):
2434 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2435 return _IMP_kernel.IntsKey___lt__(self, o)
2437 def __gt__(self, o):
2438 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2439 return _IMP_kernel.IntsKey___gt__(self, o)
2441 def __ge__(self, o):
2442 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2443 return _IMP_kernel.IntsKey___ge__(self, o)
2445 def __le__(self, o):
2446 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2447 return _IMP_kernel.IntsKey___le__(self, o)
2450 r"""__hash__(IntsKey self) -> std::size_t"""
2451 return _IMP_kernel.IntsKey___hash__(self)
2453 def show(self, *args):
2454 r"""show(IntsKey self, _ostream out=std::cout)"""
2455 return _IMP_kernel.IntsKey_show(self, *args)
2458 def add_alias(old_key, new_name):
2459 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2460 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2463 def get_number_of_keys():
2464 r"""get_number_of_keys() -> unsigned int"""
2465 return _IMP_kernel.IntsKey_get_number_of_keys()
2468 r"""get_index(IntsKey self) -> unsigned int"""
2469 return _IMP_kernel.IntsKey_get_index(self)
2473 r"""show_all(_ostream out)"""
2474 return _IMP_kernel.IntsKey_show_all(out)
2477 def get_all_strings():
2478 r"""get_all_strings() -> IMP::Vector< std::string >"""
2479 return _IMP_kernel.IntsKey_get_all_strings()
2482 def get_number_unique():
2483 r"""get_number_unique() -> unsigned int"""
2484 return _IMP_kernel.IntsKey_get_number_unique()
2487 r"""__str__(IntsKey self) -> std::string"""
2488 return _IMP_kernel.IntsKey___str__(self)
2491 r"""__repr__(IntsKey self) -> std::string"""
2492 return _IMP_kernel.IntsKey___repr__(self)
2493 __swig_destroy__ = _IMP_kernel.delete_IntsKey
2496 _IMP_kernel.IntsKey_swigregister(IntsKey)
2498 r"""Proxy of C++ IMP::Key< 6 > class."""
2500 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2502 def __init__(self, *args):
2504 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
2505 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
2506 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
2508 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
2512 r"""add_key(std::string sc) -> unsigned int"""
2513 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
2516 def get_key_exists(sc):
2517 r"""get_key_exists(std::string sc) -> bool"""
2518 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
2520 def get_string(self):
2521 r"""get_string(ParticleIndexesKey self) -> std::string const"""
2522 return _IMP_kernel.ParticleIndexesKey_get_string(self)
2524 def __cmp__(self, o):
2525 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
2526 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
2528 def __eq__(self, o):
2529 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2530 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
2532 def __ne__(self, o):
2533 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2534 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
2536 def __lt__(self, o):
2537 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2538 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
2540 def __gt__(self, o):
2541 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2542 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
2544 def __ge__(self, o):
2545 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2546 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
2548 def __le__(self, o):
2549 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2550 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
2553 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
2554 return _IMP_kernel.ParticleIndexesKey___hash__(self)
2556 def show(self, *args):
2557 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
2558 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
2561 def add_alias(old_key, new_name):
2562 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
2563 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
2566 def get_number_of_keys():
2567 r"""get_number_of_keys() -> unsigned int"""
2568 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
2571 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
2572 return _IMP_kernel.ParticleIndexesKey_get_index(self)
2576 r"""show_all(_ostream out)"""
2577 return _IMP_kernel.ParticleIndexesKey_show_all(out)
2580 def get_all_strings():
2581 r"""get_all_strings() -> IMP::Vector< std::string >"""
2582 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
2585 def get_number_unique():
2586 r"""get_number_unique() -> unsigned int"""
2587 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
2590 r"""__str__(ParticleIndexesKey self) -> std::string"""
2591 return _IMP_kernel.ParticleIndexesKey___str__(self)
2594 r"""__repr__(ParticleIndexesKey self) -> std::string"""
2595 return _IMP_kernel.ParticleIndexesKey___repr__(self)
2596 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
2599 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
2601 r"""Proxy of C++ IMP::Key< 8 > class."""
2603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2605 def __init__(self, *args):
2607 __init__(ModelKey self) -> ModelKey
2608 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
2609 __init__(ModelKey self, unsigned int i) -> ModelKey
2611 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
2615 r"""add_key(std::string sc) -> unsigned int"""
2616 return _IMP_kernel.ModelKey_add_key(sc)
2619 def get_key_exists(sc):
2620 r"""get_key_exists(std::string sc) -> bool"""
2621 return _IMP_kernel.ModelKey_get_key_exists(sc)
2623 def get_string(self):
2624 r"""get_string(ModelKey self) -> std::string const"""
2625 return _IMP_kernel.ModelKey_get_string(self)
2627 def __cmp__(self, o):
2628 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
2629 return _IMP_kernel.ModelKey___cmp__(self, o)
2631 def __eq__(self, o):
2632 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
2633 return _IMP_kernel.ModelKey___eq__(self, o)
2635 def __ne__(self, o):
2636 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
2637 return _IMP_kernel.ModelKey___ne__(self, o)
2639 def __lt__(self, o):
2640 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
2641 return _IMP_kernel.ModelKey___lt__(self, o)
2643 def __gt__(self, o):
2644 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
2645 return _IMP_kernel.ModelKey___gt__(self, o)
2647 def __ge__(self, o):
2648 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
2649 return _IMP_kernel.ModelKey___ge__(self, o)
2651 def __le__(self, o):
2652 r"""__le__(ModelKey self, ModelKey o) -> bool"""
2653 return _IMP_kernel.ModelKey___le__(self, o)
2656 r"""__hash__(ModelKey self) -> std::size_t"""
2657 return _IMP_kernel.ModelKey___hash__(self)
2659 def show(self, *args):
2660 r"""show(ModelKey self, _ostream out=std::cout)"""
2661 return _IMP_kernel.ModelKey_show(self, *args)
2664 def add_alias(old_key, new_name):
2665 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
2666 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
2669 def get_number_of_keys():
2670 r"""get_number_of_keys() -> unsigned int"""
2671 return _IMP_kernel.ModelKey_get_number_of_keys()
2674 r"""get_index(ModelKey self) -> unsigned int"""
2675 return _IMP_kernel.ModelKey_get_index(self)
2679 r"""show_all(_ostream out)"""
2680 return _IMP_kernel.ModelKey_show_all(out)
2683 def get_all_strings():
2684 r"""get_all_strings() -> IMP::Vector< std::string >"""
2685 return _IMP_kernel.ModelKey_get_all_strings()
2688 def get_number_unique():
2689 r"""get_number_unique() -> unsigned int"""
2690 return _IMP_kernel.ModelKey_get_number_unique()
2693 r"""__str__(ModelKey self) -> std::string"""
2694 return _IMP_kernel.ModelKey___str__(self)
2697 r"""__repr__(ModelKey self) -> std::string"""
2698 return _IMP_kernel.ModelKey___repr__(self)
2699 __swig_destroy__ = _IMP_kernel.delete_ModelKey
2702 _IMP_kernel.ModelKey_swigregister(ModelKey)
2704 r"""Proxy of C++ IMP::Key< 11 > class."""
2706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2708 def __init__(self, *args):
2710 __init__(TriggerKey self) -> TriggerKey
2711 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
2712 __init__(TriggerKey self, unsigned int i) -> TriggerKey
2714 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
2718 r"""add_key(std::string sc) -> unsigned int"""
2719 return _IMP_kernel.TriggerKey_add_key(sc)
2722 def get_key_exists(sc):
2723 r"""get_key_exists(std::string sc) -> bool"""
2724 return _IMP_kernel.TriggerKey_get_key_exists(sc)
2726 def get_string(self):
2727 r"""get_string(TriggerKey self) -> std::string const"""
2728 return _IMP_kernel.TriggerKey_get_string(self)
2730 def __cmp__(self, o):
2731 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
2732 return _IMP_kernel.TriggerKey___cmp__(self, o)
2734 def __eq__(self, o):
2735 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
2736 return _IMP_kernel.TriggerKey___eq__(self, o)
2738 def __ne__(self, o):
2739 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
2740 return _IMP_kernel.TriggerKey___ne__(self, o)
2742 def __lt__(self, o):
2743 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
2744 return _IMP_kernel.TriggerKey___lt__(self, o)
2746 def __gt__(self, o):
2747 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
2748 return _IMP_kernel.TriggerKey___gt__(self, o)
2750 def __ge__(self, o):
2751 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
2752 return _IMP_kernel.TriggerKey___ge__(self, o)
2754 def __le__(self, o):
2755 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
2756 return _IMP_kernel.TriggerKey___le__(self, o)
2759 r"""__hash__(TriggerKey self) -> std::size_t"""
2760 return _IMP_kernel.TriggerKey___hash__(self)
2762 def show(self, *args):
2763 r"""show(TriggerKey self, _ostream out=std::cout)"""
2764 return _IMP_kernel.TriggerKey_show(self, *args)
2767 def add_alias(old_key, new_name):
2768 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
2769 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
2772 def get_number_of_keys():
2773 r"""get_number_of_keys() -> unsigned int"""
2774 return _IMP_kernel.TriggerKey_get_number_of_keys()
2777 r"""get_index(TriggerKey self) -> unsigned int"""
2778 return _IMP_kernel.TriggerKey_get_index(self)
2782 r"""show_all(_ostream out)"""
2783 return _IMP_kernel.TriggerKey_show_all(out)
2786 def get_all_strings():
2787 r"""get_all_strings() -> IMP::Vector< std::string >"""
2788 return _IMP_kernel.TriggerKey_get_all_strings()
2791 def get_number_unique():
2792 r"""get_number_unique() -> unsigned int"""
2793 return _IMP_kernel.TriggerKey_get_number_unique()
2796 r"""__str__(TriggerKey self) -> std::string"""
2797 return _IMP_kernel.TriggerKey___str__(self)
2800 r"""__repr__(TriggerKey self) -> std::string"""
2801 return _IMP_kernel.TriggerKey___repr__(self)
2802 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
2805 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
2807 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
2809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2811 def __init__(self, *args):
2813 __init__(ParticleIndex self, int i) -> ParticleIndex
2814 __init__(ParticleIndex self) -> ParticleIndex
2816 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
2819 r"""get_index(ParticleIndex self) -> int"""
2820 return _IMP_kernel.ParticleIndex_get_index(self)
2822 def __cmp__(self, o):
2823 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
2824 return _IMP_kernel.ParticleIndex___cmp__(self, o)
2826 def __eq__(self, o):
2827 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
2828 return _IMP_kernel.ParticleIndex___eq__(self, o)
2830 def __ne__(self, o):
2831 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
2832 return _IMP_kernel.ParticleIndex___ne__(self, o)
2834 def __lt__(self, o):
2835 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
2836 return _IMP_kernel.ParticleIndex___lt__(self, o)
2838 def __gt__(self, o):
2839 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
2840 return _IMP_kernel.ParticleIndex___gt__(self, o)
2842 def __ge__(self, o):
2843 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
2844 return _IMP_kernel.ParticleIndex___ge__(self, o)
2846 def __le__(self, o):
2847 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
2848 return _IMP_kernel.ParticleIndex___le__(self, o)
2850 def show(self, *args):
2851 r"""show(ParticleIndex self, _ostream out=std::cout)"""
2852 return _IMP_kernel.ParticleIndex_show(self, *args)
2855 r"""__hash__(ParticleIndex self) -> std::size_t"""
2856 return _IMP_kernel.ParticleIndex___hash__(self)
2859 r"""__str__(ParticleIndex self) -> std::string"""
2860 return _IMP_kernel.ParticleIndex___str__(self)
2863 r"""__repr__(ParticleIndex self) -> std::string"""
2864 return _IMP_kernel.ParticleIndex___repr__(self)
2865 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
2868 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
2870 r"""Proxy of C++ IMP::Key< 10 > class."""
2872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2874 def __init__(self, *args):
2876 __init__(FloatsKey self) -> FloatsKey
2877 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
2878 __init__(FloatsKey self, unsigned int i) -> FloatsKey
2880 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
2884 r"""add_key(std::string sc) -> unsigned int"""
2885 return _IMP_kernel.FloatsKey_add_key(sc)
2888 def get_key_exists(sc):
2889 r"""get_key_exists(std::string sc) -> bool"""
2890 return _IMP_kernel.FloatsKey_get_key_exists(sc)
2892 def get_string(self):
2893 r"""get_string(FloatsKey self) -> std::string const"""
2894 return _IMP_kernel.FloatsKey_get_string(self)
2896 def __cmp__(self, o):
2897 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
2898 return _IMP_kernel.FloatsKey___cmp__(self, o)
2900 def __eq__(self, o):
2901 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
2902 return _IMP_kernel.FloatsKey___eq__(self, o)
2904 def __ne__(self, o):
2905 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
2906 return _IMP_kernel.FloatsKey___ne__(self, o)
2908 def __lt__(self, o):
2909 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
2910 return _IMP_kernel.FloatsKey___lt__(self, o)
2912 def __gt__(self, o):
2913 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
2914 return _IMP_kernel.FloatsKey___gt__(self, o)
2916 def __ge__(self, o):
2917 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
2918 return _IMP_kernel.FloatsKey___ge__(self, o)
2920 def __le__(self, o):
2921 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
2922 return _IMP_kernel.FloatsKey___le__(self, o)
2925 r"""__hash__(FloatsKey self) -> std::size_t"""
2926 return _IMP_kernel.FloatsKey___hash__(self)
2928 def show(self, *args):
2929 r"""show(FloatsKey self, _ostream out=std::cout)"""
2930 return _IMP_kernel.FloatsKey_show(self, *args)
2933 def add_alias(old_key, new_name):
2934 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
2935 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
2938 def get_number_of_keys():
2939 r"""get_number_of_keys() -> unsigned int"""
2940 return _IMP_kernel.FloatsKey_get_number_of_keys()
2943 r"""get_index(FloatsKey self) -> unsigned int"""
2944 return _IMP_kernel.FloatsKey_get_index(self)
2948 r"""show_all(_ostream out)"""
2949 return _IMP_kernel.FloatsKey_show_all(out)
2952 def get_all_strings():
2953 r"""get_all_strings() -> IMP::Vector< std::string >"""
2954 return _IMP_kernel.FloatsKey_get_all_strings()
2957 def get_number_unique():
2958 r"""get_number_unique() -> unsigned int"""
2959 return _IMP_kernel.FloatsKey_get_number_unique()
2962 r"""__str__(FloatsKey self) -> std::string"""
2963 return _IMP_kernel.FloatsKey___str__(self)
2966 r"""__repr__(FloatsKey self) -> std::string"""
2967 return _IMP_kernel.FloatsKey___repr__(self)
2968 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
2971 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
2973 r"""Proxy of C++ IMP::Key< 12 > class."""
2975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2977 def __init__(self, *args):
2979 __init__(SparseStringKey self) -> SparseStringKey
2980 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
2981 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
2983 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
2987 r"""add_key(std::string sc) -> unsigned int"""
2988 return _IMP_kernel.SparseStringKey_add_key(sc)
2991 def get_key_exists(sc):
2992 r"""get_key_exists(std::string sc) -> bool"""
2993 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
2995 def get_string(self):
2996 r"""get_string(SparseStringKey self) -> std::string const"""
2997 return _IMP_kernel.SparseStringKey_get_string(self)
2999 def __cmp__(self, o):
3000 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3001 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3003 def __eq__(self, o):
3004 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3005 return _IMP_kernel.SparseStringKey___eq__(self, o)
3007 def __ne__(self, o):
3008 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3009 return _IMP_kernel.SparseStringKey___ne__(self, o)
3011 def __lt__(self, o):
3012 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3013 return _IMP_kernel.SparseStringKey___lt__(self, o)
3015 def __gt__(self, o):
3016 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3017 return _IMP_kernel.SparseStringKey___gt__(self, o)
3019 def __ge__(self, o):
3020 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3021 return _IMP_kernel.SparseStringKey___ge__(self, o)
3023 def __le__(self, o):
3024 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3025 return _IMP_kernel.SparseStringKey___le__(self, o)
3028 r"""__hash__(SparseStringKey self) -> std::size_t"""
3029 return _IMP_kernel.SparseStringKey___hash__(self)
3031 def show(self, *args):
3032 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3033 return _IMP_kernel.SparseStringKey_show(self, *args)
3036 def add_alias(old_key, new_name):
3037 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3038 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3041 def get_number_of_keys():
3042 r"""get_number_of_keys() -> unsigned int"""
3043 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3046 r"""get_index(SparseStringKey self) -> unsigned int"""
3047 return _IMP_kernel.SparseStringKey_get_index(self)
3051 r"""show_all(_ostream out)"""
3052 return _IMP_kernel.SparseStringKey_show_all(out)
3055 def get_all_strings():
3056 r"""get_all_strings() -> IMP::Vector< std::string >"""
3057 return _IMP_kernel.SparseStringKey_get_all_strings()
3060 def get_number_unique():
3061 r"""get_number_unique() -> unsigned int"""
3062 return _IMP_kernel.SparseStringKey_get_number_unique()
3065 r"""__str__(SparseStringKey self) -> std::string"""
3066 return _IMP_kernel.SparseStringKey___str__(self)
3069 r"""__repr__(SparseStringKey self) -> std::string"""
3070 return _IMP_kernel.SparseStringKey___repr__(self)
3071 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3074 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3076 r"""Proxy of C++ IMP::Key< 13 > class."""
3078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3080 def __init__(self, *args):
3082 __init__(SparseIntKey self) -> SparseIntKey
3083 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3084 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3086 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3090 r"""add_key(std::string sc) -> unsigned int"""
3091 return _IMP_kernel.SparseIntKey_add_key(sc)
3094 def get_key_exists(sc):
3095 r"""get_key_exists(std::string sc) -> bool"""
3096 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3098 def get_string(self):
3099 r"""get_string(SparseIntKey self) -> std::string const"""
3100 return _IMP_kernel.SparseIntKey_get_string(self)
3102 def __cmp__(self, o):
3103 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3104 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3106 def __eq__(self, o):
3107 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3108 return _IMP_kernel.SparseIntKey___eq__(self, o)
3110 def __ne__(self, o):
3111 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3112 return _IMP_kernel.SparseIntKey___ne__(self, o)
3114 def __lt__(self, o):
3115 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3116 return _IMP_kernel.SparseIntKey___lt__(self, o)
3118 def __gt__(self, o):
3119 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3120 return _IMP_kernel.SparseIntKey___gt__(self, o)
3122 def __ge__(self, o):
3123 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3124 return _IMP_kernel.SparseIntKey___ge__(self, o)
3126 def __le__(self, o):
3127 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3128 return _IMP_kernel.SparseIntKey___le__(self, o)
3131 r"""__hash__(SparseIntKey self) -> std::size_t"""
3132 return _IMP_kernel.SparseIntKey___hash__(self)
3134 def show(self, *args):
3135 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3136 return _IMP_kernel.SparseIntKey_show(self, *args)
3139 def add_alias(old_key, new_name):
3140 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3141 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3144 def get_number_of_keys():
3145 r"""get_number_of_keys() -> unsigned int"""
3146 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3149 r"""get_index(SparseIntKey self) -> unsigned int"""
3150 return _IMP_kernel.SparseIntKey_get_index(self)
3154 r"""show_all(_ostream out)"""
3155 return _IMP_kernel.SparseIntKey_show_all(out)
3158 def get_all_strings():
3159 r"""get_all_strings() -> IMP::Vector< std::string >"""
3160 return _IMP_kernel.SparseIntKey_get_all_strings()
3163 def get_number_unique():
3164 r"""get_number_unique() -> unsigned int"""
3165 return _IMP_kernel.SparseIntKey_get_number_unique()
3168 r"""__str__(SparseIntKey self) -> std::string"""
3169 return _IMP_kernel.SparseIntKey___str__(self)
3172 r"""__repr__(SparseIntKey self) -> std::string"""
3173 return _IMP_kernel.SparseIntKey___repr__(self)
3174 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3177 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3179 r"""Proxy of C++ IMP::Key< 14 > class."""
3181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3183 def __init__(self, *args):
3185 __init__(SparseFloatKey self) -> SparseFloatKey
3186 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3187 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3189 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3193 r"""add_key(std::string sc) -> unsigned int"""
3194 return _IMP_kernel.SparseFloatKey_add_key(sc)
3197 def get_key_exists(sc):
3198 r"""get_key_exists(std::string sc) -> bool"""
3199 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3201 def get_string(self):
3202 r"""get_string(SparseFloatKey self) -> std::string const"""
3203 return _IMP_kernel.SparseFloatKey_get_string(self)
3205 def __cmp__(self, o):
3206 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3207 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3209 def __eq__(self, o):
3210 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3211 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3213 def __ne__(self, o):
3214 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3215 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3217 def __lt__(self, o):
3218 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3219 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3221 def __gt__(self, o):
3222 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3223 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3225 def __ge__(self, o):
3226 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3227 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3229 def __le__(self, o):
3230 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3231 return _IMP_kernel.SparseFloatKey___le__(self, o)
3234 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3235 return _IMP_kernel.SparseFloatKey___hash__(self)
3237 def show(self, *args):
3238 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3239 return _IMP_kernel.SparseFloatKey_show(self, *args)
3242 def add_alias(old_key, new_name):
3243 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3244 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3247 def get_number_of_keys():
3248 r"""get_number_of_keys() -> unsigned int"""
3249 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3252 r"""get_index(SparseFloatKey self) -> unsigned int"""
3253 return _IMP_kernel.SparseFloatKey_get_index(self)
3257 r"""show_all(_ostream out)"""
3258 return _IMP_kernel.SparseFloatKey_show_all(out)
3261 def get_all_strings():
3262 r"""get_all_strings() -> IMP::Vector< std::string >"""
3263 return _IMP_kernel.SparseFloatKey_get_all_strings()
3266 def get_number_unique():
3267 r"""get_number_unique() -> unsigned int"""
3268 return _IMP_kernel.SparseFloatKey_get_number_unique()
3271 r"""__str__(SparseFloatKey self) -> std::string"""
3272 return _IMP_kernel.SparseFloatKey___str__(self)
3275 r"""__repr__(SparseFloatKey self) -> std::string"""
3276 return _IMP_kernel.SparseFloatKey___repr__(self)
3277 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3280 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3282 r"""Proxy of C++ IMP::Key< 15 > class."""
3284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3286 def __init__(self, *args):
3288 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3289 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3290 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3292 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3296 r"""add_key(std::string sc) -> unsigned int"""
3297 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3300 def get_key_exists(sc):
3301 r"""get_key_exists(std::string sc) -> bool"""
3302 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3304 def get_string(self):
3305 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3306 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3308 def __cmp__(self, o):
3309 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3310 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3312 def __eq__(self, o):
3313 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3314 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3316 def __ne__(self, o):
3317 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3318 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3320 def __lt__(self, o):
3321 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3322 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3324 def __gt__(self, o):
3325 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3326 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3328 def __ge__(self, o):
3329 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3330 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3332 def __le__(self, o):
3333 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3334 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3337 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3338 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3340 def show(self, *args):
3341 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3342 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3345 def add_alias(old_key, new_name):
3346 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3347 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3350 def get_number_of_keys():
3351 r"""get_number_of_keys() -> unsigned int"""
3352 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3355 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3356 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3360 r"""show_all(_ostream out)"""
3361 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3364 def get_all_strings():
3365 r"""get_all_strings() -> IMP::Vector< std::string >"""
3366 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3369 def get_number_unique():
3370 r"""get_number_unique() -> unsigned int"""
3371 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3374 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3375 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3378 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3379 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3380 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3383 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3385 r"""Proxy of C++ IMP::Key< 16 > class."""
3387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3389 def __init__(self, *args):
3391 __init__(Vector3DKey self) -> Vector3DKey
3392 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3393 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3395 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3399 r"""add_key(std::string sc) -> unsigned int"""
3400 return _IMP_kernel.Vector3DKey_add_key(sc)
3403 def get_key_exists(sc):
3404 r"""get_key_exists(std::string sc) -> bool"""
3405 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3407 def get_string(self):
3408 r"""get_string(Vector3DKey self) -> std::string const"""
3409 return _IMP_kernel.Vector3DKey_get_string(self)
3411 def __cmp__(self, o):
3412 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3413 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3415 def __eq__(self, o):
3416 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3417 return _IMP_kernel.Vector3DKey___eq__(self, o)
3419 def __ne__(self, o):
3420 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3421 return _IMP_kernel.Vector3DKey___ne__(self, o)
3423 def __lt__(self, o):
3424 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3425 return _IMP_kernel.Vector3DKey___lt__(self, o)
3427 def __gt__(self, o):
3428 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3429 return _IMP_kernel.Vector3DKey___gt__(self, o)
3431 def __ge__(self, o):
3432 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3433 return _IMP_kernel.Vector3DKey___ge__(self, o)
3435 def __le__(self, o):
3436 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3437 return _IMP_kernel.Vector3DKey___le__(self, o)
3440 r"""__hash__(Vector3DKey self) -> std::size_t"""
3441 return _IMP_kernel.Vector3DKey___hash__(self)
3443 def show(self, *args):
3444 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3445 return _IMP_kernel.Vector3DKey_show(self, *args)
3448 def add_alias(old_key, new_name):
3449 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3450 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3453 def get_number_of_keys():
3454 r"""get_number_of_keys() -> unsigned int"""
3455 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3458 r"""get_index(Vector3DKey self) -> unsigned int"""
3459 return _IMP_kernel.Vector3DKey_get_index(self)
3463 r"""show_all(_ostream out)"""
3464 return _IMP_kernel.Vector3DKey_show_all(out)
3467 def get_all_strings():
3468 r"""get_all_strings() -> IMP::Vector< std::string >"""
3469 return _IMP_kernel.Vector3DKey_get_all_strings()
3472 def get_number_unique():
3473 r"""get_number_unique() -> unsigned int"""
3474 return _IMP_kernel.Vector3DKey_get_number_unique()
3477 r"""__str__(Vector3DKey self) -> std::string"""
3478 return _IMP_kernel.Vector3DKey___str__(self)
3481 r"""__repr__(Vector3DKey self) -> std::string"""
3482 return _IMP_kernel.Vector3DKey___repr__(self)
3483 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
3486 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
3495 class FloatIndex(_Value):
3496 r"""Proxy of C++ IMP::FloatIndex class."""
3498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3500 def __init__(self, *args):
3501 r"""__init__(FloatIndex self, ParticleIndex i0=ParticleIndex(), FloatKey i1=FloatKey()) -> FloatIndex"""
3502 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
3505 r"""__hash__(FloatIndex self) -> std::size_t"""
3506 return _IMP_kernel.FloatIndex___hash__(self)
3508 def show(self, *args):
3509 r"""show(FloatIndex self, _ostream out=std::cout)"""
3510 return _IMP_kernel.FloatIndex_show(self, *args)
3512 def __cmp__(self, o):
3513 r"""__cmp__(FloatIndex self, FloatIndex o) -> int"""
3514 return _IMP_kernel.FloatIndex___cmp__(self, o)
3516 def __eq__(self, o):
3517 r"""__eq__(FloatIndex self, FloatIndex o) -> bool"""
3518 return _IMP_kernel.FloatIndex___eq__(self, o)
3520 def __ne__(self, o):
3521 r"""__ne__(FloatIndex self, FloatIndex o) -> bool"""
3522 return _IMP_kernel.FloatIndex___ne__(self, o)
3524 def __lt__(self, o):
3525 r"""__lt__(FloatIndex self, FloatIndex o) -> bool"""
3526 return _IMP_kernel.FloatIndex___lt__(self, o)
3528 def __gt__(self, o):
3529 r"""__gt__(FloatIndex self, FloatIndex o) -> bool"""
3530 return _IMP_kernel.FloatIndex___gt__(self, o)
3532 def __ge__(self, o):
3533 r"""__ge__(FloatIndex self, FloatIndex o) -> bool"""
3534 return _IMP_kernel.FloatIndex___ge__(self, o)
3536 def __le__(self, o):
3537 r"""__le__(FloatIndex self, FloatIndex o) -> bool"""
3538 return _IMP_kernel.FloatIndex___le__(self, o)
3540 def get_particle(self):
3541 r"""get_particle(FloatIndex self) -> ParticleIndex const &"""
3542 return _IMP_kernel.FloatIndex_get_particle(self)
3544 def set_particle(self, v):
3545 r"""set_particle(FloatIndex self, ParticleIndex const & v)"""
3546 return _IMP_kernel.FloatIndex_set_particle(self, v)
3549 r"""get_key(FloatIndex self) -> FloatKey const &"""
3550 return _IMP_kernel.FloatIndex_get_key(self)
3552 def set_key(self, v):
3553 r"""set_key(FloatIndex self, FloatKey const & v)"""
3554 return _IMP_kernel.FloatIndex_set_key(self, v)
3557 r"""__str__(FloatIndex self) -> std::string"""
3558 return _IMP_kernel.FloatIndex___str__(self)
3561 r"""__repr__(FloatIndex self) -> std::string"""
3562 return _IMP_kernel.FloatIndex___repr__(self)
3563 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
3566 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
3567 class _ParticleIndexTag(object):
3568 r"""Proxy of C++ IMP::ParticleIndexTag class."""
3570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3571 __repr__ = _swig_repr
3574 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
3575 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
3576 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
3579 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
3580 class ModelObject(
Object):
3581 r"""Proxy of C++ IMP::ModelObject class."""
3583 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3585 def __init__(self, *args):
3587 __init__(ModelObject self, Model m, std::string name) -> ModelObject
3588 __init__(ModelObject self) -> ModelObject
3590 if self.__class__ == ModelObject:
3594 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
3596 if self.__class__ != ModelObject:
3597 _director_objects.register(self)
3601 __swig_destroy__ = _IMP_kernel.delete_ModelObject
3603 def get_model(self):
3604 m = _IMP_kernel.ModelObject_get_model(self)
3605 if m
in _models_set:
3606 m = _models_set_get(m)
3611 def get_inputs(self):
3612 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3613 return _IMP_kernel.ModelObject_get_inputs(self)
3615 def get_outputs(self):
3616 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3617 return _IMP_kernel.ModelObject_get_outputs(self)
3619 def get_interactions(self):
3620 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3621 return _IMP_kernel.ModelObject_get_interactions(self)
3623 def get_has_dependencies(self):
3624 r"""get_has_dependencies(ModelObject self) -> bool"""
3625 return _IMP_kernel.ModelObject_get_has_dependencies(self)
3627 def set_has_dependencies(self, tf):
3628 r"""set_has_dependencies(ModelObject self, bool tf)"""
3629 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
3631 def set_has_required_score_states(self, tf):
3632 r"""set_has_required_score_states(ModelObject self, bool tf)"""
3633 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
3635 def get_has_required_score_states(self):
3636 r"""get_has_required_score_states(ModelObject self) -> bool"""
3637 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
3639 def get_required_score_states(self):
3640 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
3641 return _IMP_kernel.ModelObject_get_required_score_states(self)
3643 def handle_set_has_required_score_states(self, arg0):
3644 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
3645 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
3647 def do_get_inputs(self):
3648 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3649 return _IMP_kernel.ModelObject_do_get_inputs(self)
3651 def do_get_outputs(self):
3652 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3653 return _IMP_kernel.ModelObject_do_get_outputs(self)
3655 def do_get_interactions(self):
3656 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3657 return _IMP_kernel.ModelObject_do_get_interactions(self)
3660 r"""__str__(ModelObject self) -> std::string"""
3661 return _IMP_kernel.ModelObject___str__(self)
3664 r"""__repr__(ModelObject self) -> std::string"""
3665 return _IMP_kernel.ModelObject___repr__(self)
3669 return _object_cast_to_ModelObject(o)
3672 def do_show(self, out):
3677 return _object_cast_to_ModelObject(o)
3679 def __disown__(self):
3681 _IMP_kernel.disown_ModelObject(self)
3682 return weakref.proxy(self)
3685 r"""do_destroy(ModelObject self)"""
3686 return _IMP_kernel.ModelObject_do_destroy(self)
3689 _IMP_kernel.ModelObject_swigregister(ModelObject)
3690 cvar = _IMP_kernel.cvar
3691 NO_MAX = cvar.NO_MAX
3692 BAD_SCORE = cvar.BAD_SCORE
3694 class _ParticleInputs(object):
3695 r"""Proxy of C++ IMP::ParticleInputs class."""
3697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3699 def __init__(self, *args, **kwargs):
3700 raise AttributeError(
"No constructor defined - class is abstract")
3701 __repr__ = _swig_repr
3703 def get_inputs(self, m, pis):
3704 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3705 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
3708 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
3709 class _ParticleOutputs(object):
3710 r"""Proxy of C++ IMP::ParticleOutputs class."""
3712 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3714 def __init__(self, *args, **kwargs):
3715 raise AttributeError(
"No constructor defined - class is abstract")
3716 __repr__ = _swig_repr
3718 def get_outputs(self, m, pis):
3719 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3720 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
3723 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
3726 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3727 return _IMP_kernel.get_input_particles(mos)
3730 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3731 return _IMP_kernel.get_input_containers(mos)
3734 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3735 return _IMP_kernel.get_output_particles(mos)
3738 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3739 return _IMP_kernel.get_output_containers(mos)
3740 class DerivativeAccumulator(object):
3741 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
3743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3744 __repr__ = _swig_repr
3746 def __init__(self, *args):
3748 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
3749 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
3750 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
3752 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
3754 def __call__(self, value):
3755 r"""__call__(DerivativeAccumulator self, double const value) -> double"""
3756 return _IMP_kernel.DerivativeAccumulator___call__(self, value)
3758 def get_weight(self):
3759 r"""get_weight(DerivativeAccumulator self) -> double"""
3760 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
3762 def show(self, *args):
3763 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
3764 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
3765 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
3768 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
3769 class EvaluationState(object):
3770 r"""Proxy of C++ IMP::EvaluationState class."""
3772 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3773 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
3774 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
3776 def __init__(self, *args):
3778 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
3779 __init__(EvaluationState self) -> EvaluationState
3781 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
3783 def show(self, *args):
3784 r"""show(EvaluationState self, _ostream out=std::cout)"""
3785 return _IMP_kernel.EvaluationState_show(self, *args)
3788 r"""__str__(EvaluationState self) -> std::string"""
3789 return _IMP_kernel.EvaluationState___str__(self)
3792 r"""__repr__(EvaluationState self) -> std::string"""
3793 return _IMP_kernel.EvaluationState___repr__(self)
3794 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
3797 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
3798 class ScoreAccumulator(_Value):
3799 r"""Proxy of C++ IMP::ScoreAccumulator class."""
3801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3803 def __init__(self, *args):
3805 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
3806 __init__(ScoreAccumulator self) -> ScoreAccumulator
3807 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
3808 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
3810 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
3812 def add_score(self, score):
3813 r"""add_score(ScoreAccumulator self, double score)"""
3814 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
3816 def get_abort_evaluation(self):
3817 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
3818 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
3820 def get_is_evaluate_if_below(self):
3821 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
3822 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
3824 def get_is_evaluate_if_good(self):
3825 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
3826 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
3828 def get_maximum(self):
3829 r"""get_maximum(ScoreAccumulator self) -> double"""
3830 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
3832 def get_derivative_accumulator(self):
3833 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
3834 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
3836 def show(self, *args):
3837 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
3838 return _IMP_kernel.ScoreAccumulator_show(self, *args)
3841 r"""__str__(ScoreAccumulator self) -> std::string"""
3842 return _IMP_kernel.ScoreAccumulator___str__(self)
3845 r"""__repr__(ScoreAccumulator self) -> std::string"""
3846 return _IMP_kernel.ScoreAccumulator___repr__(self)
3847 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
3850 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
3851 class ScoreState(ModelObject):
3852 r"""Proxy of C++ IMP::ScoreState class."""
3854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3856 def set_can_skip(self, can_skip):
3857 r"""set_can_skip(ScoreState self, bool can_skip)"""
3858 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
3860 def __init__(self, *args):
3862 __init__(ScoreState self, Model m, std::string name) -> ScoreState
3863 __init__(ScoreState self) -> ScoreState
3865 if self.__class__ == ScoreState:
3869 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
3871 if self.__class__ != ScoreState:
3872 _director_objects.register(self)
3877 def before_evaluate(self):
3878 r"""before_evaluate(ScoreState self)"""
3879 return _IMP_kernel.ScoreState_before_evaluate(self)
3881 def after_evaluate(self, accpt):
3882 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3883 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
3885 def get_can_skip(self):
3886 r"""get_can_skip(ScoreState self) -> bool"""
3887 return _IMP_kernel.ScoreState_get_can_skip(self)
3889 def get_has_update_order(self):
3890 r"""get_has_update_order(ScoreState self) -> bool"""
3891 return _IMP_kernel.ScoreState_get_has_update_order(self)
3894 r"""get_update_order(ScoreState self) -> unsigned int"""
3895 return _IMP_kernel.ScoreState_get_update_order(self)
3897 def handle_set_has_required_score_states(self, tf):
3898 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
3899 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
3901 def do_before_evaluate(self):
3902 r"""do_before_evaluate(ScoreState self)"""
3903 return _IMP_kernel.ScoreState_do_before_evaluate(self)
3905 def do_after_evaluate(self, accpt):
3906 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3907 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
3908 __swig_destroy__ = _IMP_kernel.delete_ScoreState
3911 r"""__str__(ScoreState self) -> std::string"""
3912 return _IMP_kernel.ScoreState___str__(self)
3915 r"""__repr__(ScoreState self) -> std::string"""
3916 return _IMP_kernel.ScoreState___repr__(self)
3920 return _object_cast_to_ScoreState(o)
3923 def do_show(self, out):
3928 return _object_cast_to_ScoreState(o)
3931 def _wrap_jax(self, apply_func, keys=None):
3932 """Create the return value for _get_jax.
3933 Use this method in _get_jax() to wrap the JAX apply function
3934 with other model- and ScoreState-specific information.
3936 @param apply_func A function implemented using JAX that takes
3937 a single argument (the current JAX Model) and returns
3938 a new JAX Model with the ScoreState's transformation
3940 @param keys If given, a set of IMP::Key objects describing Model
3941 attributes (other than xyz and radius) that the ScoreState
3944 from IMP._jax_util
import JAXScoreStateInfo
3945 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
3949 """Return a JAX implementation of this ScoreState.
3950 Implement this method in a ScoreState subclass to provide
3951 an equivalent function using [JAX](https://docs.jax.dev/)
3952 that modifies the JAX Model. See also _wrap_jax.
3954 raise NotImplementedError(f
"No JAX implementation for {self}")
3956 def __disown__(self):
3958 _IMP_kernel.disown_ScoreState(self)
3959 return weakref.proxy(self)
3962 r"""do_destroy(ScoreState self)"""
3963 return _IMP_kernel.ScoreState_do_destroy(self)
3965 def do_get_inputs(self):
3966 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3967 return _IMP_kernel.ScoreState_do_get_inputs(self)
3969 def do_get_outputs(self):
3970 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3971 return _IMP_kernel.ScoreState_do_get_outputs(self)
3973 def do_get_interactions(self):
3974 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
3975 return _IMP_kernel.ScoreState_do_get_interactions(self)
3978 _IMP_kernel.ScoreState_swigregister(ScoreState)
3981 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
3982 return _IMP_kernel.get_update_order(input)
3983 class Constraint(ScoreState):
3984 r"""Proxy of C++ IMP::Constraint class."""
3986 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3988 def __init__(self, *args):
3990 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
3991 __init__(Constraint self) -> Constraint
3993 if self.__class__ == Constraint:
3997 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
3999 if self.__class__ != Constraint:
4000 _director_objects.register(self)
4005 def do_update_attributes(self):
4006 r"""do_update_attributes(Constraint self)"""
4007 return _IMP_kernel.Constraint_do_update_attributes(self)
4009 def do_update_derivatives(self, da):
4010 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4011 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4013 def do_before_evaluate(self):
4014 r"""do_before_evaluate(Constraint self)"""
4015 return _IMP_kernel.Constraint_do_before_evaluate(self)
4017 def do_after_evaluate(self, da):
4018 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4019 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4020 __swig_destroy__ = _IMP_kernel.delete_Constraint
4023 r"""__str__(Constraint self) -> std::string"""
4024 return _IMP_kernel.Constraint___str__(self)
4027 r"""__repr__(Constraint self) -> std::string"""
4028 return _IMP_kernel.Constraint___repr__(self)
4032 return _object_cast_to_Constraint(o)
4035 def do_show(self, out):
4040 return _object_cast_to_Constraint(o)
4042 def __disown__(self):
4044 _IMP_kernel.disown_Constraint(self)
4045 return weakref.proxy(self)
4048 r"""do_destroy(Constraint self)"""
4049 return _IMP_kernel.Constraint_do_destroy(self)
4051 def do_get_inputs(self):
4052 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4053 return _IMP_kernel.Constraint_do_get_inputs(self)
4055 def do_get_outputs(self):
4056 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4057 return _IMP_kernel.Constraint_do_get_outputs(self)
4059 def do_get_interactions(self):
4060 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4061 return _IMP_kernel.Constraint_do_get_interactions(self)
4064 _IMP_kernel.Constraint_swigregister(Constraint)
4065 class Container(ModelObject):
4066 r"""Proxy of C++ IMP::Container class."""
4068 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4070 def __init__(self, *args):
4072 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4073 __init__(Container self) -> Container
4075 if self.__class__ == Container:
4079 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4081 if self.__class__ != Container:
4082 _director_objects.register(self)
4087 def do_get_contents_hash(self):
4088 r"""do_get_contents_hash(Container self) -> std::size_t"""
4089 return _IMP_kernel.Container_do_get_contents_hash(self)
4091 def get_all_possible_indexes(self):
4092 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4093 return _IMP_kernel.Container_get_all_possible_indexes(self)
4095 def get_contents_hash(self):
4096 r"""get_contents_hash(Container self) -> std::size_t"""
4097 return _IMP_kernel.Container_get_contents_hash(self)
4099 def do_get_outputs(self):
4100 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
4101 return _IMP_kernel.Container_do_get_outputs(self)
4103 def get_is_decomposable(self):
4104 r"""get_is_decomposable(Container self) -> bool"""
4105 return _IMP_kernel.Container_get_is_decomposable(self)
4107 def validate_readable(self):
4108 r"""validate_readable(Container self)"""
4109 return _IMP_kernel.Container_validate_readable(self)
4111 def validate_writable(self):
4112 r"""validate_writable(Container self)"""
4113 return _IMP_kernel.Container_validate_writable(self)
4115 def set_is_readable(self, tf):
4116 r"""set_is_readable(Container self, bool tf)"""
4117 return _IMP_kernel.Container_set_is_readable(self, tf)
4119 def set_is_writable(self, tf):
4120 r"""set_is_writable(Container self, bool tf)"""
4121 return _IMP_kernel.Container_set_is_writable(self, tf)
4122 __swig_destroy__ = _IMP_kernel.delete_Container
4125 r"""__str__(Container self) -> std::string"""
4126 return _IMP_kernel.Container___str__(self)
4129 r"""__repr__(Container self) -> std::string"""
4130 return _IMP_kernel.Container___repr__(self)
4134 return _object_cast_to_Container(o)
4137 def do_show(self, out):
4142 return _object_cast_to_Container(o)
4144 def __disown__(self):
4146 _IMP_kernel.disown_Container(self)
4147 return weakref.proxy(self)
4150 r"""do_destroy(Container self)"""
4151 return _IMP_kernel.Container_do_destroy(self)
4153 def handle_set_has_required_score_states(self, arg0):
4154 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
4155 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
4157 def do_get_inputs(self):
4158 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
4159 return _IMP_kernel.Container_do_get_inputs(self)
4161 def do_get_interactions(self):
4162 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
4163 return _IMP_kernel.Container_do_get_interactions(self)
4166 _IMP_kernel.Container_swigregister(Container)
4167 class RestraintInfo(
Object):
4168 r"""Proxy of C++ IMP::RestraintInfo class."""
4170 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4172 def __init__(self, *args):
4173 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
4174 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
4177 r"""clear(RestraintInfo self)"""
4178 return _IMP_kernel.RestraintInfo_clear(self)
4180 def add_int(self, key, value):
4181 r"""add_int(RestraintInfo self, std::string key, int value)"""
4182 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
4184 def get_number_of_int(self):
4185 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
4186 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
4188 def get_int_key(self, i):
4189 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
4190 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
4192 def get_int_value(self, i):
4193 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
4194 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
4196 def add_float(self, key, value):
4197 r"""add_float(RestraintInfo self, std::string key, double value)"""
4198 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
4200 def get_number_of_float(self):
4201 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
4202 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
4204 def get_float_key(self, i):
4205 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
4206 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
4208 def get_float_value(self, i):
4209 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
4210 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
4212 def add_string(self, key, value):
4213 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
4214 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
4216 def get_number_of_string(self):
4217 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
4218 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
4220 def get_string_key(self, i):
4221 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
4222 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
4224 def get_string_value(self, i):
4225 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
4226 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
4228 def add_filename(self, key, value):
4229 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
4230 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
4232 def get_number_of_filename(self):
4233 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
4234 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
4236 def get_filename_key(self, i):
4237 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
4238 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
4240 def get_filename_value(self, i):
4241 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
4242 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
4244 def add_floats(self, key, value):
4245 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
4246 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
4248 def get_number_of_floats(self):
4249 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
4250 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
4252 def get_floats_key(self, i):
4253 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
4254 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
4256 def get_floats_value(self, i):
4257 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
4258 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
4260 def add_ints(self, key, value):
4261 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
4262 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
4264 def get_number_of_ints(self):
4265 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
4266 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
4268 def get_ints_key(self, i):
4269 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
4270 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
4272 def get_ints_value(self, i):
4273 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
4274 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
4276 def add_strings(self, key, value):
4277 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
4278 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
4280 def get_number_of_strings(self):
4281 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
4282 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
4284 def get_strings_key(self, i):
4285 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
4286 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
4288 def get_strings_value(self, i):
4289 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4290 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
4292 def add_filenames(self, key, value):
4293 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
4294 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
4296 def get_number_of_filenames(self):
4297 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
4298 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
4300 def get_filenames_key(self, i):
4301 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
4302 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
4304 def get_filenames_value(self, i):
4305 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4306 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
4308 def add_particle_indexes(self, key, value):
4309 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
4310 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
4312 def get_number_of_particle_indexes(self):
4313 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
4314 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
4316 def get_particle_indexes_key(self, i):
4317 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
4318 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
4320 def get_particle_indexes_value(self, i):
4321 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
4322 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
4325 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
4326 return _IMP_kernel.RestraintInfo_get_version_info(self)
4327 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
4330 r"""__str__(RestraintInfo self) -> std::string"""
4331 return _IMP_kernel.RestraintInfo___str__(self)
4334 r"""__repr__(RestraintInfo self) -> std::string"""
4335 return _IMP_kernel.RestraintInfo___repr__(self)
4339 return _object_cast_to_RestraintInfo(o)
4343 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
4344 class Restraint(ModelObject):
4345 r"""Proxy of C++ IMP::Restraint class."""
4347 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4349 def __init__(self, *args):
4351 __init__(Restraint self, Model m, std::string name) -> Restraint
4352 __init__(Restraint self) -> Restraint
4354 if self.__class__ == Restraint:
4358 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
4360 if self.__class__ != Restraint:
4361 _director_objects.register(self)
4366 def get_score(self):
4367 r"""get_score(Restraint self) -> double"""
4368 return _IMP_kernel.Restraint_get_score(self)
4370 def evaluate(self, calc_derivs):
4371 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
4372 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
4374 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
4375 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4376 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
4378 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
4379 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4380 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
4382 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
4383 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4384 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
4386 def evaluate_if_good(self, calc_derivatives):
4387 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
4388 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
4390 def evaluate_if_below(self, calc_derivatives, max):
4391 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
4392 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
4394 def unprotected_evaluate(self, da):
4395 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
4396 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
4398 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
4399 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4400 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
4402 def unprotected_evaluate_if_good(self, da, max):
4403 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
4404 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
4406 def unprotected_evaluate_if_below(self, da, max):
4407 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
4408 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
4410 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
4411 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4412 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
4414 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
4415 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4416 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
4418 def get_static_info(self):
4419 r"""get_static_info(Restraint self) -> RestraintInfo"""
4420 return _IMP_kernel.Restraint_get_static_info(self)
4422 def get_dynamic_info(self):
4423 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
4424 return _IMP_kernel.Restraint_get_dynamic_info(self)
4426 def add_score_and_derivatives(self, sa):
4427 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4428 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
4430 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4431 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4432 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4435 r"""create_decomposition(Restraint self) -> Restraint"""
4436 return _IMP_kernel.Restraint_create_decomposition(self)
4438 def create_current_decomposition(self):
4439 r"""create_current_decomposition(Restraint self) -> Restraint"""
4440 return _IMP_kernel.Restraint_create_current_decomposition(self)
4442 def set_weight(self, weight):
4443 r"""set_weight(Restraint self, IMP::Float weight)"""
4444 return _IMP_kernel.Restraint_set_weight(self, weight)
4446 def get_weight(self):
4447 r"""get_weight(Restraint self) -> IMP::Float"""
4448 return _IMP_kernel.Restraint_get_weight(self)
4450 def get_maximum_score(self):
4451 r"""get_maximum_score(Restraint self) -> double"""
4452 return _IMP_kernel.Restraint_get_maximum_score(self)
4454 def set_maximum_score(self, s):
4455 r"""set_maximum_score(Restraint self, double s)"""
4456 return _IMP_kernel.Restraint_set_maximum_score(self, s)
4459 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
4460 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
4462 def set_last_score(self, s):
4463 r"""set_last_score(Restraint self, double s)"""
4464 return _IMP_kernel.Restraint_set_last_score(self, s)
4466 def set_last_last_score(self, s):
4467 r"""set_last_last_score(Restraint self, double s)"""
4468 return _IMP_kernel.Restraint_set_last_last_score(self, s)
4470 def get_last_score(self):
4471 r"""get_last_score(Restraint self) -> double"""
4472 return _IMP_kernel.Restraint_get_last_score(self)
4474 def get_last_last_score(self):
4475 r"""get_last_last_score(Restraint self) -> double"""
4476 return _IMP_kernel.Restraint_get_last_last_score(self)
4478 def get_is_aggregate(self):
4479 r"""get_is_aggregate(Restraint self) -> bool"""
4480 return _IMP_kernel.Restraint_get_is_aggregate(self)
4482 def get_was_good(self):
4483 r"""get_was_good(Restraint self) -> bool"""
4484 return _IMP_kernel.Restraint_get_was_good(self)
4485 __swig_destroy__ = _IMP_kernel.delete_Restraint
4487 def do_create_decomposition(self):
4488 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
4489 return _IMP_kernel.Restraint_do_create_decomposition(self)
4491 def do_create_current_decomposition(self):
4492 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
4493 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
4495 def do_add_score_and_derivatives(self, sa):
4496 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4497 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
4499 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4500 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4501 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4503 def do_get_outputs(self):
4504 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
4505 return _IMP_kernel.Restraint_do_get_outputs(self)
4506 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
4509 r"""__str__(Restraint self) -> std::string"""
4510 return _IMP_kernel.Restraint___str__(self)
4513 r"""__repr__(Restraint self) -> std::string"""
4514 return _IMP_kernel.Restraint___repr__(self)
4518 return _object_cast_to_Restraint(o)
4521 def do_show(self, out):
4526 return _object_cast_to_Restraint(o)
4529 def _wrap_jax(self, score_func, keys=None):
4530 """Create the return value for _get_jax.
4531 Use this method in _get_jax() to wrap the JAX scoring function
4532 with other model- and restraint-specific information.
4534 @param score_func A function implemented using JAX that takes
4535 a single argument (the current JAX Model) and returns
4536 the score of the restraint.
4537 @param keys If given, a set of IMP::Key objects describing Model
4538 attributes (other than xyz and radius) that the restraint
4539 uses. For example, a restraint that uses electrostatic charge
4540 would pass IMP::atom::Charged::get_charge_key() here.
4542 from IMP._jax_util
import JAXRestraintInfo
4543 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
4544 weight=self.get_weight(), keys=keys)
4547 """Return a JAX implementation of this Restraint.
4548 Implement this method in a Restraint subclass to provide
4549 an equivalent function using [JAX](https://docs.jax.dev/)
4550 that scores the current JAX Model. See also _wrap_jax.
4552 raise NotImplementedError(f
"No JAX implementation for {self}")
4554 def _evaluate_jax(self):
4555 """Similar to evaluate(False), but using JAX.
4556 This is intended to be useful for testing purposes. It will likely
4557 not be particularly fast as it will copy the IMP Model and
4558 jax.jit-compile the scoring function each time."""
4560 ji = self._get_jax()
4561 jm = ji.get_jax_model()
4562 j = jax.jit(ji.score_func)
4565 def __disown__(self):
4567 _IMP_kernel.disown_Restraint(self)
4568 return weakref.proxy(self)
4571 r"""do_destroy(Restraint self)"""
4572 return _IMP_kernel.Restraint_do_destroy(self)
4574 def handle_set_has_required_score_states(self, arg0):
4575 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
4576 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
4578 def do_get_inputs(self):
4579 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
4580 return _IMP_kernel.Restraint_do_get_inputs(self)
4582 def do_get_interactions(self):
4583 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
4584 return _IMP_kernel.Restraint_do_get_interactions(self)
4587 _IMP_kernel.Restraint_swigregister(Restraint)
4588 class _RestraintsAdaptor(_InputAdaptor):
4589 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
4591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4592 __repr__ = _swig_repr
4594 def __init__(self, *args):
4596 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
4597 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
4598 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
4599 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
4601 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
4602 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
4605 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
4606 class RestraintSet(Restraint):
4607 r"""Proxy of C++ IMP::RestraintSet class."""
4609 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4611 def __init__(self, *args):
4613 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4614 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
4615 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4616 __init__(RestraintSet self) -> RestraintSet
4618 if self.__class__ == RestraintSet:
4622 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
4624 if self.__class__ != RestraintSet:
4625 _director_objects.register(self)
4630 def unprotected_evaluate(self, da):
4631 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
4632 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
4634 def get_type_name(self):
4635 r"""get_type_name(RestraintSet self) -> std::string"""
4636 return _IMP_kernel.RestraintSet_get_type_name(self)
4639 r"""get_version_info(RestraintSet self) -> VersionInfo"""
4640 return _IMP_kernel.RestraintSet_get_version_info(self)
4641 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
4642 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)
4643 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
4644 def __del_restraints(self): _list_util.del_varlist(self.restraints)
4645 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
4647 def remove_restraint(self, d):
4648 r"""remove_restraint(RestraintSet self, Restraint d)"""
4649 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
4651 def _python_index_restraint(self, d, start, stop):
4652 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
4653 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
4655 def remove_restraints(self, d):
4656 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
4657 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
4659 def set_restraints(self, ps):
4660 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
4661 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
4663 def set_restraints_order(self, objs):
4664 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
4665 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
4668 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
4669 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
4672 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
4673 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
4675 def clear_restraints(self):
4676 r"""clear_restraints(RestraintSet self)"""
4677 return _IMP_kernel.RestraintSet_clear_restraints(self)
4679 def get_number_of_restraints(self):
4680 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
4681 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
4683 def get_has_restraints(self):
4684 r"""get_has_restraints(RestraintSet self) -> bool"""
4685 return _IMP_kernel.RestraintSet_get_has_restraints(self)
4687 def get_restraint(self, i):
4688 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
4689 return _IMP_kernel.RestraintSet_get_restraint(self, i)
4691 def get_restraints(self):
4692 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
4693 return _IMP_kernel.RestraintSet_get_restraints(self)
4695 def erase_restraint(self, i):
4696 r"""erase_restraint(RestraintSet self, unsigned int i)"""
4697 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
4699 def reserve_restraints(self, sz):
4700 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
4701 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
4703 def get_non_sets_and_sets(self):
4704 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
4705 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
4707 def do_get_inputs(self):
4708 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4709 return _IMP_kernel.RestraintSet_do_get_inputs(self)
4712 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
4713 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
4715 def get_last_score(self):
4716 r"""get_last_score(RestraintSet self) -> double"""
4717 return _IMP_kernel.RestraintSet_get_last_score(self)
4720 r"""__str__(RestraintSet self) -> std::string"""
4721 return _IMP_kernel.RestraintSet___str__(self)
4724 r"""__repr__(RestraintSet self) -> std::string"""
4725 return _IMP_kernel.RestraintSet___repr__(self)
4729 return _object_cast_to_RestraintSet(o)
4732 def do_show(self, out):
4737 return _object_cast_to_RestraintSet(o)
4740 def _get_as_binary(self):
4741 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
4742 return _IMP_kernel.RestraintSet__get_as_binary(self)
4744 def _set_from_binary(self, p):
4745 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
4746 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
4748 def __getstate__(self):
4749 p = self._get_as_binary()
4750 if len(self.__dict__) > 1:
4751 d = self.__dict__.copy()
4756 def __setstate__(self, p):
4757 if not hasattr(self,
'this'):
4759 if isinstance(p, tuple):
4761 self.__dict__.update(d)
4762 return self._set_from_binary(p)
4766 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
4767 funcs = [j.score_func
for j
in jis]
4768 keys = frozenset(x
for j
in jis
for x
in j._keys)
4771 return sum(f(jm)
for f
in funcs)
4775 return self._wrap_jax(jax_sf, keys=keys)
4777 def __disown__(self):
4779 _IMP_kernel.disown_RestraintSet(self)
4780 return weakref.proxy(self)
4783 r"""do_destroy(RestraintSet self)"""
4784 return _IMP_kernel.RestraintSet_do_destroy(self)
4786 def handle_set_has_required_score_states(self, arg0):
4787 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
4788 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
4790 def do_get_outputs(self):
4791 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4792 return _IMP_kernel.RestraintSet_do_get_outputs(self)
4794 def do_get_interactions(self):
4795 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
4796 return _IMP_kernel.RestraintSet_do_get_interactions(self)
4798 def do_create_decomposition(self):
4799 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
4800 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
4802 def do_create_current_decomposition(self):
4803 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
4804 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
4806 def do_add_score_and_derivatives(self, sa):
4807 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
4808 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
4810 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4811 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4812 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4815 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
4817 def get_restraints(rs):
4818 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
4819 return _IMP_kernel.get_restraints(rs)
4821 def _check_particle(p, a):
4822 if (
not p.get_is_active()):
4823 raise ValueError(
"Inactive Particle")
4824 if (type(a)() == a):
4825 raise IndexError(
"Cannot use default Index")
4826 if (
not p.has_attribute(a)):
4827 raise IndexError(
"Particle does not have attribute")
4829 class Particle(ModelObject):
4830 r"""Proxy of C++ IMP::Particle class."""
4832 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4835 r"""get_version_info(Particle self) -> VersionInfo"""
4836 return _IMP_kernel.Particle_get_version_info(self)
4837 __swig_destroy__ = _IMP_kernel.delete_Particle
4839 def __init__(self, *args):
4841 __init__(Particle self, Model m, std::string name) -> Particle
4842 __init__(Particle self, Model m) -> Particle
4843 __init__(Particle self) -> Particle
4845 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
4847 def get_float_keys(self):
4848 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
4849 return _IMP_kernel.Particle_get_float_keys(self)
4851 def get_floats_keys(self):
4852 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
4853 return _IMP_kernel.Particle_get_floats_keys(self)
4855 def get_int_keys(self):
4856 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
4857 return _IMP_kernel.Particle_get_int_keys(self)
4859 def get_ints_keys(self):
4860 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
4861 return _IMP_kernel.Particle_get_ints_keys(self)
4863 def get_string_keys(self):
4864 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
4865 return _IMP_kernel.Particle_get_string_keys(self)
4867 def get_object_keys(self):
4868 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
4869 return _IMP_kernel.Particle_get_object_keys(self)
4871 def add_cache_attribute(self, *args):
4873 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
4874 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
4875 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
4876 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
4877 add_cache_attribute(Particle self, StringKey name, IMP::String value)
4878 add_cache_attribute(Particle self, ObjectKey name, Object value)
4879 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
4881 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
4883 def get_weak_object_keys(self):
4884 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
4885 return _IMP_kernel.Particle_get_weak_object_keys(self)
4887 def add_to_derivative(self, key, value, da):
4888 r"""add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)"""
4889 return _IMP_kernel.Particle_add_to_derivative(self, key, value, da)
4891 def set_is_optimized(self, k, tf):
4892 r"""set_is_optimized(Particle self, FloatKey k, bool tf)"""
4893 return _IMP_kernel.Particle_set_is_optimized(self, k, tf)
4895 def get_is_optimized(self, k):
4896 r"""get_is_optimized(Particle self, FloatKey k) -> bool"""
4897 return _IMP_kernel.Particle_get_is_optimized(self, k)
4899 def get_derivative(self, k):
4900 r"""get_derivative(Particle self, FloatKey k) -> IMP::Float"""
4901 return _IMP_kernel.Particle_get_derivative(self, k)
4903 def add_attribute(self, *args):
4905 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
4906 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
4907 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
4908 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
4909 add_attribute(Particle self, StringKey name, IMP::String initial_value)
4910 add_attribute(Particle self, ObjectKey name, Object initial_value)
4911 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
4912 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
4913 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
4914 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
4915 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
4916 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
4917 add_attribute(Particle self, ParticleIndexKey k, Particle v)
4919 return _IMP_kernel.Particle_add_attribute(self, *args)
4921 def has_attribute(self, *args):
4923 has_attribute(Particle self, FloatKey name) -> bool
4924 has_attribute(Particle self, FloatsKey name) -> bool
4925 has_attribute(Particle self, IntKey name) -> bool
4926 has_attribute(Particle self, IntsKey name) -> bool
4927 has_attribute(Particle self, StringKey name) -> bool
4928 has_attribute(Particle self, ObjectKey name) -> bool
4929 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
4930 has_attribute(Particle self, SparseStringKey name) -> bool
4931 has_attribute(Particle self, SparseIntKey name) -> bool
4932 has_attribute(Particle self, SparseFloatKey name) -> bool
4933 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
4934 has_attribute(Particle self, ParticleIndexKey k) -> bool
4936 return _IMP_kernel.Particle_has_attribute(self, *args)
4938 def set_value(self, *args):
4940 set_value(Particle self, FloatKey name, IMP::Float value)
4941 set_value(Particle self, FloatsKey name, IMP::Floats value)
4942 set_value(Particle self, IntKey name, IMP::Int value)
4943 set_value(Particle self, IntsKey name, IMP::Ints value)
4944 set_value(Particle self, StringKey name, IMP::String value)
4945 set_value(Particle self, ObjectKey name, Object value)
4946 set_value(Particle self, IMP::WeakObjectKey name, Object value)
4947 set_value(Particle self, SparseStringKey name, IMP::String value)
4948 set_value(Particle self, SparseIntKey name, IMP::Int value)
4949 set_value(Particle self, SparseFloatKey name, IMP::Float value)
4950 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
4951 set_value(Particle self, ParticleIndexKey k, Particle v)
4953 return _IMP_kernel.Particle_set_value(self, *args)
4955 def get_value(self, *args):
4957 get_value(Particle self, FloatKey name) -> IMP::Float
4958 get_value(Particle self, FloatsKey name) -> IMP::Floats
4959 get_value(Particle self, IntKey name) -> IMP::Int
4960 get_value(Particle self, IntsKey name) -> IMP::Ints
4961 get_value(Particle self, StringKey name) -> IMP::String
4962 get_value(Particle self, ObjectKey name) -> Object
4963 get_value(Particle self, IMP::WeakObjectKey name) -> Object
4964 get_value(Particle self, SparseStringKey name) -> IMP::String
4965 get_value(Particle self, SparseIntKey name) -> IMP::Int
4966 get_value(Particle self, SparseFloatKey name) -> IMP::Float
4967 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
4968 get_value(Particle self, ParticleIndexKey k) -> Particle
4970 return _IMP_kernel.Particle_get_value(self, *args)
4972 def remove_attribute(self, *args):
4974 remove_attribute(Particle self, FloatKey name)
4975 remove_attribute(Particle self, FloatsKey name)
4976 remove_attribute(Particle self, IntKey name)
4977 remove_attribute(Particle self, IntsKey name)
4978 remove_attribute(Particle self, StringKey name)
4979 remove_attribute(Particle self, ObjectKey name)
4980 remove_attribute(Particle self, IMP::WeakObjectKey name)
4981 remove_attribute(Particle self, SparseStringKey name)
4982 remove_attribute(Particle self, SparseIntKey name)
4983 remove_attribute(Particle self, SparseFloatKey name)
4984 remove_attribute(Particle self, SparseParticleIndexKey name)
4985 remove_attribute(Particle self, ParticleIndexKey k)
4987 return _IMP_kernel.Particle_remove_attribute(self, *args)
4989 def get_particle_keys(self):
4990 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
4991 return _IMP_kernel.Particle_get_particle_keys(self)
4993 def show(self, *args):
4994 r"""show(Particle self, _ostream out=std::cout)"""
4995 return _IMP_kernel.Particle_show(self, *args)
4997 def get_is_active(self):
4998 r"""get_is_active(Particle self) -> bool"""
4999 return _IMP_kernel.Particle_get_is_active(self)
5002 r"""get_index(Particle self) -> ParticleIndex"""
5003 return _IMP_kernel.Particle_get_index(self)
5005 def __eq__(self, *args):
5007 __eq__(Particle self, Particle o) -> bool
5008 __eq__(Particle self, Decorator d) -> bool
5010 return _IMP_kernel.Particle___eq__(self, *args)
5012 def __ne__(self, *args):
5014 __ne__(Particle self, Particle o) -> bool
5015 __ne__(Particle self, Decorator d) -> bool
5017 return _IMP_kernel.Particle___ne__(self, *args)
5019 def __le__(self, *args):
5021 __le__(Particle self, Particle o) -> bool
5022 __le__(Particle self, Decorator d) -> bool
5024 return _IMP_kernel.Particle___le__(self, *args)
5026 def __lt__(self, *args):
5028 __lt__(Particle self, Particle o) -> bool
5029 __lt__(Particle self, Decorator d) -> bool
5031 return _IMP_kernel.Particle___lt__(self, *args)
5033 def __ge__(self, *args):
5035 __ge__(Particle self, Particle o) -> bool
5036 __ge__(Particle self, Decorator d) -> bool
5038 return _IMP_kernel.Particle___ge__(self, *args)
5040 def __gt__(self, *args):
5042 __gt__(Particle self, Particle o) -> bool
5043 __gt__(Particle self, Decorator d) -> bool
5045 return _IMP_kernel.Particle___gt__(self, *args)
5047 __hash__ = ModelObject.__hash__
5051 r"""__str__(Particle self) -> std::string"""
5052 return _IMP_kernel.Particle___str__(self)
5055 r"""__repr__(Particle self) -> std::string"""
5056 return _IMP_kernel.Particle___repr__(self)
5060 return _object_cast_to_Particle(o)
5063 def _get_as_binary(self):
5064 r"""_get_as_binary(Particle self) -> PyObject *"""
5065 return _IMP_kernel.Particle__get_as_binary(self)
5067 def _set_from_binary(self, p):
5068 r"""_set_from_binary(Particle self, PyObject * p)"""
5069 return _IMP_kernel.Particle__set_from_binary(self, p)
5071 def __getstate__(self):
5072 p = self._get_as_binary()
5073 if len(self.__dict__) > 1:
5074 d = self.__dict__.copy()
5079 def __setstate__(self, p):
5080 if not hasattr(self,
'this'):
5082 if isinstance(p, tuple):
5084 self.__dict__.update(d)
5085 return self._set_from_binary(p)
5089 _IMP_kernel.Particle_swigregister(Particle)
5090 class _ParticleAdaptor(_InputAdaptor):
5091 r"""Proxy of C++ IMP::ParticleAdaptor class."""
5093 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5094 __repr__ = _swig_repr
5096 def __init__(self, *args):
5098 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
5099 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
5100 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
5102 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
5104 def get_model(self):
5105 r"""get_model(_ParticleAdaptor self) -> Model"""
5106 return _IMP_kernel._ParticleAdaptor_get_model(self)
5108 def get_particle_index(self):
5109 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
5110 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
5111 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
5114 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
5115 class _DependencyGraphVertexIndex(object):
5116 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
5118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5119 __repr__ = _swig_repr
5122 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
5123 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
5124 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
5127 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
5129 def show_as_graphviz(name, out):
5130 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
5131 return _IMP_kernel.show_as_graphviz(name, out)
5133 def get_vertex_index(g):
5134 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
5135 return _IMP_kernel.get_vertex_index(g)
5138 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
5139 return _IMP_kernel.get_dependency_graph(m)
5142 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
5143 return _IMP_kernel.get_pruned_dependency_graph(m)
5145 def get_dependent_particles(p, all, dg, index):
5146 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
5147 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
5149 def get_required_score_states(*args):
5151 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
5152 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
5153 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
5155 return _IMP_kernel.get_required_score_states(*args)
5156 class ScoringFunction(ModelObject):
5157 r"""Proxy of C++ IMP::ScoringFunction class."""
5159 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5161 def do_add_score_and_derivatives(self, sa, ss):
5162 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
5163 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
5165 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
5166 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)"""
5167 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
5169 def get_score_accumulator_if_below(self, deriv, max):
5170 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
5171 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
5173 def get_score_accumulator_if_good(self, deriv):
5174 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5175 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
5177 def get_score_accumulator(self, deriv):
5178 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5179 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
5181 def __init__(self, *args):
5183 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
5184 __init__(ScoringFunction self) -> ScoringFunction
5186 if self.__class__ == ScoringFunction:
5190 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
5192 if self.__class__ != ScoringFunction:
5193 _director_objects.register(self)
5198 def do_get_outputs(self):
5199 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5200 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
5202 def evaluate(self, derivatives):
5203 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
5204 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
5206 def evaluate_if_good(self, derivatives):
5207 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
5208 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
5210 def evaluate_if_below(self, derivatives, max):
5211 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
5212 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
5214 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
5215 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5216 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
5218 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
5219 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5220 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
5222 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
5223 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5224 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
5226 def get_had_good_score(self):
5227 r"""get_had_good_score(ScoringFunction self) -> bool"""
5228 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
5230 def get_last_score(self):
5231 r"""get_last_score(ScoringFunction self) -> double"""
5232 return _IMP_kernel.ScoringFunction_get_last_score(self)
5235 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
5236 return _IMP_kernel.ScoringFunction_create_restraints(self)
5238 def get_single_restraint(self):
5239 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
5240 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
5243 r"""__str__(ScoringFunction self) -> std::string"""
5244 return _IMP_kernel.ScoringFunction___str__(self)
5247 r"""__repr__(ScoringFunction self) -> std::string"""
5248 return _IMP_kernel.ScoringFunction___repr__(self)
5252 return _object_cast_to_ScoringFunction(o)
5255 def do_show(self, out):
5260 return _object_cast_to_ScoringFunction(o)
5264 r = self.get_single_restraint()
5266 raise NotImplementedError(f
"No JAX implementation for {self}")
5268 return r.get_derived_object()._get_jax()
5270 def _evaluate_jax(self):
5271 """Similar to evaluate(False), but using JAX.
5272 This is intended to be useful for testing purposes. It will likely
5273 not be particularly fast as it will copy the IMP Model and
5274 jax.jit-compile the scoring function each time."""
5276 ji = self._get_jax()
5277 jm = ji.get_jax_model()
5278 j = jax.jit(ji.score_func)
5281 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
5282 def __disown__(self):
5284 _IMP_kernel.disown_ScoringFunction(self)
5285 return weakref.proxy(self)
5288 r"""do_destroy(ScoringFunction self)"""
5289 return _IMP_kernel.ScoringFunction_do_destroy(self)
5291 def handle_set_has_required_score_states(self, arg0):
5292 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
5293 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
5295 def do_get_inputs(self):
5296 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5297 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
5299 def do_get_interactions(self):
5300 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
5301 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
5304 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
5308 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
5309 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
5311 return _IMP_kernel.create_decomposition(*args)
5312 class _ScoringFunctionAdaptor(_InputAdaptor):
5313 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
5315 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5316 __repr__ = _swig_repr
5318 def __init__(self, *args):
5320 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
5321 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
5322 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
5323 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
5324 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
5326 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
5327 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
5330 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
5333 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
5334 return _IMP_kernel.show_restraint_hierarchy(*args)
5335 class Undecorator(
Object):
5336 r"""Proxy of C++ IMP::Undecorator class."""
5338 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5340 def __init__(self, m, name):
5341 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
5342 if self.__class__ == Undecorator:
5346 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
5348 if self.__class__ != Undecorator:
5349 _director_objects.register(self)
5354 def teardown(self, pi):
5355 r"""teardown(Undecorator self, ParticleIndex pi)"""
5356 return _IMP_kernel.Undecorator_teardown(self, pi)
5359 r"""__str__(Undecorator self) -> std::string"""
5360 return _IMP_kernel.Undecorator___str__(self)
5363 r"""__repr__(Undecorator self) -> std::string"""
5364 return _IMP_kernel.Undecorator___repr__(self)
5368 return _object_cast_to_Undecorator(o)
5371 def do_show(self, out):
5376 return _object_cast_to_Undecorator(o)
5378 __swig_destroy__ = _IMP_kernel.delete_Undecorator
5379 def __disown__(self):
5381 _IMP_kernel.disown_Undecorator(self)
5382 return weakref.proxy(self)
5385 r"""do_destroy(Undecorator self)"""
5386 return _IMP_kernel.Undecorator_do_destroy(self)
5389 _IMP_kernel.Undecorator_swigregister(Undecorator)
5391 r"""Proxy of C++ IMP::Model class."""
5393 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5395 def __init__(self, *args):
5396 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
5397 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
5399 if self
not in _models_set:
5400 _models_set.add(self)
5405 def clear_particle_caches(self, pi):
5406 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
5407 return _IMP_kernel.Model_clear_particle_caches(self, pi)
5410 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
5411 return _IMP_kernel.Model_add_particle(self, name)
5413 def get_particle_name(self, pi):
5414 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
5415 return _IMP_kernel.Model_get_particle_name(self, pi)
5417 def add_undecorator(self, pi, d):
5418 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
5419 return _IMP_kernel.Model_add_undecorator(self, pi, d)
5421 def get_dependent_restraints_uncached(self, pi):
5422 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
5423 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
5425 def get_dependent_particles_uncached(self, pi):
5426 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
5427 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
5429 def get_dependent_score_states_uncached(self, pi):
5430 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
5431 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
5432 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)
5433 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
5434 def __del_score_states(self): _list_util.del_varlist(self.score_states)
5435 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
5437 def remove_score_state(self, d):
5438 r"""remove_score_state(Model self, ScoreState d)"""
5439 return _IMP_kernel.Model_remove_score_state(self, d)
5441 def _python_index_score_state(self, d, start, stop):
5442 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
5443 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
5445 def remove_score_states(self, d):
5446 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
5447 return _IMP_kernel.Model_remove_score_states(self, d)
5449 def set_score_states(self, ps):
5450 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
5451 return _IMP_kernel.Model_set_score_states(self, ps)
5453 def set_score_states_order(self, objs):
5454 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
5455 return _IMP_kernel.Model_set_score_states_order(self, objs)
5457 def add_score_state(self, obj):
5458 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
5459 return _IMP_kernel.Model_add_score_state(self, obj)
5461 def add_score_states(self, objs):
5462 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
5463 return _IMP_kernel.Model_add_score_states(self, objs)
5465 def clear_score_states(self):
5466 r"""clear_score_states(Model self)"""
5467 return _IMP_kernel.Model_clear_score_states(self)
5469 def get_number_of_score_states(self):
5470 r"""get_number_of_score_states(Model self) -> unsigned int"""
5471 return _IMP_kernel.Model_get_number_of_score_states(self)
5473 def get_has_score_states(self):
5474 r"""get_has_score_states(Model self) -> bool"""
5475 return _IMP_kernel.Model_get_has_score_states(self)
5477 def get_score_state(self, i):
5478 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
5479 return _IMP_kernel.Model_get_score_state(self, i)
5481 def get_score_states(self):
5482 r"""get_score_states(Model self) -> IMP::ScoreStates"""
5483 return _IMP_kernel.Model_get_score_states(self)
5485 def erase_score_state(self, i):
5486 r"""erase_score_state(Model self, unsigned int i)"""
5487 return _IMP_kernel.Model_erase_score_state(self, i)
5489 def reserve_score_states(self, sz):
5490 r"""reserve_score_states(Model self, unsigned int sz)"""
5491 return _IMP_kernel.Model_reserve_score_states(self, sz)
5494 r"""update(Model self)"""
5495 return _IMP_kernel.Model_update(self)
5497 def get_ordered_score_states(self):
5498 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
5499 return _IMP_kernel.Model_get_ordered_score_states(self)
5501 def add_cache_attribute(self, *args):
5503 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5504 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5505 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5506 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5507 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5508 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5509 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5510 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5511 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5512 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5514 return _IMP_kernel.Model_add_cache_attribute(self, *args)
5516 def add_attribute(self, *args):
5518 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5519 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5520 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5521 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5522 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5523 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5524 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5525 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5526 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5527 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5528 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5529 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5530 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5531 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5533 return _IMP_kernel.Model_add_attribute(self, *args)
5535 def remove_attribute(self, *args):
5537 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
5538 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
5539 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
5540 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
5541 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
5542 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
5543 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
5544 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
5545 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
5546 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
5547 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
5548 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
5549 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
5550 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
5552 return _IMP_kernel.Model_remove_attribute(self, *args)
5554 def get_has_attribute(self, *args):
5556 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
5557 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
5558 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
5559 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
5560 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
5561 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
5562 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
5563 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5564 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
5565 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
5566 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
5567 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
5568 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
5569 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5571 return _IMP_kernel.Model_get_has_attribute(self, *args)
5573 def set_attribute(self, *args):
5575 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5576 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5577 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5578 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5579 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5580 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5581 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5582 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5583 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5584 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5585 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5586 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5587 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5588 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5590 return _IMP_kernel.Model_set_attribute(self, *args)
5592 def get_attribute(self, *args):
5594 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5595 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
5596 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
5597 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> IMP::algebra::Vector3D
5598 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
5599 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
5600 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
5601 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5602 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
5603 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
5604 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
5605 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
5606 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5607 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5609 return _IMP_kernel.Model_get_attribute(self, *args)
5611 def set_is_optimized(self, arg2, arg3, arg4):
5612 r"""set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)"""
5613 return _IMP_kernel.Model_set_is_optimized(self, arg2, arg3, arg4)
5615 def add_to_derivative(self, k, particle, v, da):
5616 r"""add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)"""
5617 return _IMP_kernel.Model_add_to_derivative(self, k, particle, v, da)
5619 def get_particle(self, p):
5620 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
5621 return _IMP_kernel.Model_get_particle(self, p)
5623 def get_has_particle(self, p):
5624 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
5625 return _IMP_kernel.Model_get_has_particle(self, p)
5628 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
5629 return _IMP_kernel.Model_get_particle_indexes(self)
5631 def get_model_objects(self):
5632 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
5633 return _IMP_kernel.Model_get_model_objects(self)
5635 def remove_particle(self, pi):
5636 r"""remove_particle(Model self, ParticleIndex pi)"""
5637 return _IMP_kernel.Model_remove_particle(self, pi)
5639 def add_data(self, mk, o):
5640 r"""add_data(Model self, ModelKey mk, Object o)"""
5641 return _IMP_kernel.Model_add_data(self, mk, o)
5643 def get_data(self, mk):
5644 r"""get_data(Model self, ModelKey mk) -> Object"""
5645 return _IMP_kernel.Model_get_data(self, mk)
5647 def remove_data(self, mk):
5648 r"""remove_data(Model self, ModelKey mk)"""
5649 return _IMP_kernel.Model_remove_data(self, mk)
5651 def get_has_data(self, mk):
5652 r"""get_has_data(Model self, ModelKey mk) -> bool"""
5653 return _IMP_kernel.Model_get_has_data(self, mk)
5656 r"""get_age(Model self) -> unsigned int"""
5657 return _IMP_kernel.Model_get_age(self)
5659 def get_trigger_last_updated(self, tk):
5660 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
5661 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
5663 def set_trigger_updated(self, tk):
5664 r"""set_trigger_updated(Model self, TriggerKey tk)"""
5665 return _IMP_kernel.Model_set_trigger_updated(self, tk)
5667 def get_dependencies_updated(self):
5668 r"""get_dependencies_updated(Model self) -> unsigned int"""
5669 return _IMP_kernel.Model_get_dependencies_updated(self)
5671 def get_removed_particles_attributes_age(self):
5672 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
5673 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
5675 def save_dependencies(self):
5676 r"""save_dependencies(Model self)"""
5677 return _IMP_kernel.Model_save_dependencies(self)
5679 def restore_dependencies(self):
5680 r"""restore_dependencies(Model self)"""
5681 return _IMP_kernel.Model_restore_dependencies(self)
5683 def get_particles_size(self):
5684 r"""get_particles_size(Model self) -> unsigned int"""
5685 return _IMP_kernel.Model_get_particles_size(self)
5687 def get_unique_id(self):
5688 r"""get_unique_id(Model self) -> uint32_t"""
5689 return _IMP_kernel.Model_get_unique_id(self)
5692 def get_by_unique_id(id):
5693 r"""get_by_unique_id(uint32_t id) -> Model"""
5694 return _IMP_kernel.Model_get_by_unique_id(id)
5697 r"""get_version_info(Model self) -> VersionInfo"""
5698 return _IMP_kernel.Model_get_version_info(self)
5699 __swig_destroy__ = _IMP_kernel.delete_Model
5701 r"""__del__(Model self)"""
5703 _director_objects.cleanup()
5710 r"""do_destroy(Model self)"""
5711 return _IMP_kernel.Model_do_destroy(self)
5714 r"""__str__(Model self) -> std::string"""
5715 return _IMP_kernel.Model___str__(self)
5718 r"""__repr__(Model self) -> std::string"""
5719 return _IMP_kernel.Model___repr__(self)
5723 return _object_cast_to_Model(o)
5726 def _get_as_binary(self):
5727 r"""_get_as_binary(Model self) -> PyObject *"""
5728 return _IMP_kernel.Model__get_as_binary(self)
5730 def _set_from_binary(self, p):
5731 r"""_set_from_binary(Model self, PyObject * p)"""
5732 return _IMP_kernel.Model__set_from_binary(self, p)
5734 def __getstate__(self):
5735 p = self._get_as_binary()
5736 if len(self.__dict__) > 1:
5737 d = self.__dict__.copy()
5742 def __setstate__(self, p):
5743 if not hasattr(self,
'this'):
5745 if isinstance(p, tuple):
5747 self.__dict__.update(d)
5748 return self._set_from_binary(p)
5752 """Get the model's attribute array for IntKey k as a NumPy array.
5753 The array is indexed by ParticleIndex; particles that don't have
5754 this attribute will either be off the end of the array or will have
5756 This is a NumPy view that shares memory with the Model. Thus,
5757 any changes to values in this list will be reflected in the Model.
5758 Also, if the Model attribute array moves in memory (e.g. if particles
5759 or attributes are added) this array will be invalidated, so it is
5760 unsafe to keep it around long term.
5761 If read_only is set True, values in the array cannot be changed.
5763 return _get_ints_numpy(self, k, self, read_only)
5766 """Get the model's attribute array for any type of Key
5767 k as a NumPy array. See Model::get_ints_numpy() for more details."""
5768 _numpy_meth_map = {IntKey: _get_ints_numpy,
5769 FloatKey: _get_floats_numpy,
5770 Vector3DKey: _get_vector3ds_numpy}
5771 return _numpy_meth_map[type(k)](self, k, self, read_only)
5774 """Get the model's attribute array for FloatKey k as a NumPy array.
5775 See Model::get_ints_numpy() for more details."""
5776 return _get_floats_numpy(self, k, self, read_only)
5779 """Get the model's attribute derivatives array for FloatKey k
5780 as a NumPy array. See Model::get_ints_numpy() for more details."""
5781 return _get_derivatives_numpy(self, k, self, read_only)
5784 """Get the model's attribute array for Vector3DKey k as a NumPy array.
5785 See Model::get_ints_numpy() for more details."""
5786 return _get_vector3ds_numpy(self, k, self, read_only)
5789 """Get the model's XYZR attribute arrays as NumPy arrays.
5790 The attribute arrays for Cartesian coordinates and radii are
5791 stored separately from those for other FloatKeys. This function
5792 returns a tuple of two NumPy arrays, the first of coordinates and
5793 the second of radii. See Model::get_ints_numpy() for more details."""
5794 return _get_spheres_numpy(self, self, read_only)
5797 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
5798 See Model::get_ints_numpy() for more details."""
5799 return _get_sphere_derivatives_numpy(self, self, read_only)
5802 """Get the model's internal coordinate array as a NumPy array.
5803 The attribute arrays for rigid body internal coordinates are
5804 stored separately from those for other FloatKeys.
5805 See Model::get_ints_numpy() for more details."""
5806 return _get_internal_coordinates_numpy(self, self, read_only)
5809 """Get the model's internal coordinate derivative array as a
5811 See Model::get_ints_numpy() for more details."""
5812 return _get_internal_coordinate_derivatives_numpy(
5813 self, self, read_only)
5817 _IMP_kernel.Model_swigregister(Model)
5819 r"""Proxy of C++ IMP::Decorator class."""
5821 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5822 __repr__ = _swig_repr
5824 def __init__(self, p):
5825 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
5826 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
5828 def __ne__(self, o):
5829 r"""__ne__(Decorator self, Object o) -> bool"""
5830 return _IMP_kernel.Decorator___ne__(self, o)
5832 def __lt__(self, o):
5833 r"""__lt__(Decorator self, Object o) -> bool"""
5834 return _IMP_kernel.Decorator___lt__(self, o)
5836 def __gt__(self, o):
5837 r"""__gt__(Decorator self, Object o) -> bool"""
5838 return _IMP_kernel.Decorator___gt__(self, o)
5840 def __ge__(self, o):
5841 r"""__ge__(Decorator self, Object o) -> bool"""
5842 return _IMP_kernel.Decorator___ge__(self, o)
5844 def __le__(self, o):
5845 r"""__le__(Decorator self, Object o) -> bool"""
5846 return _IMP_kernel.Decorator___le__(self, o)
5849 r"""get_particle(Decorator self) -> Particle"""
5850 return _IMP_kernel.Decorator_get_particle(self)
5852 def get_particle_index(self):
5853 r"""get_particle_index(Decorator self) -> ParticleIndex"""
5854 return _IMP_kernel.Decorator_get_particle_index(self)
5856 def get_model(self):
5857 m = _IMP_kernel.Decorator_get_model(self)
5858 if m
in _models_set:
5859 m = _models_set_get(m)
5864 def get_is_valid(self):
5865 r"""get_is_valid(Decorator self) -> bool"""
5866 return _IMP_kernel.Decorator_get_is_valid(self)
5869 r"""__hash__(Decorator self) -> std::size_t"""
5870 return _IMP_kernel.Decorator___hash__(self)
5872 def __eq__(self, *args):
5874 __eq__(Decorator self, Object o) -> bool
5875 __eq__(Decorator self, Decorator o) -> bool
5876 __eq__(Decorator self, Particle o) -> bool
5878 return _IMP_kernel.Decorator___eq__(self, *args)
5881 r"""__bool__(Decorator self) -> bool"""
5882 return _IMP_kernel.Decorator___bool__(self)
5883 __swig_destroy__ = _IMP_kernel.delete_Decorator
5886 _IMP_kernel.Decorator_swigregister(Decorator)
5888 def check_particle(m, pi):
5889 r"""check_particle(Model m, ParticleIndex pi)"""
5890 return _IMP_kernel.check_particle(m, pi)
5892 r"""Proxy of C++ IMP::UnaryFunction class."""
5894 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5896 def __init__(self, *args):
5897 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
5898 if self.__class__ == UnaryFunction:
5902 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
5904 if self.__class__ != UnaryFunction:
5905 _director_objects.register(self)
5910 def evaluate(self, feature):
5911 r"""evaluate(UnaryFunction self, double feature) -> double"""
5912 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
5914 def evaluate_with_derivative(self, feature):
5915 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
5916 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
5917 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
5920 r"""__str__(UnaryFunction self) -> std::string"""
5921 return _IMP_kernel.UnaryFunction___str__(self)
5924 r"""__repr__(UnaryFunction self) -> std::string"""
5925 return _IMP_kernel.UnaryFunction___repr__(self)
5929 return _object_cast_to_UnaryFunction(o)
5932 def do_show(self, out):
5937 return _object_cast_to_UnaryFunction(o)
5941 """Return a JAX implementation of this UnaryFunction.
5942 Implement this method in a UnaryFunction subclass to provide
5943 an equivalent function using [JAX](https://docs.jax.dev/)
5944 that scores the provided feature value.
5946 raise NotImplementedError(f
"No JAX implementation for {self}")
5948 def __disown__(self):
5950 _IMP_kernel.disown_UnaryFunction(self)
5951 return weakref.proxy(self)
5954 r"""do_destroy(UnaryFunction self)"""
5955 return _IMP_kernel.UnaryFunction_do_destroy(self)
5958 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
5960 r"""Proxy of C++ IMP::OptimizerState class."""
5962 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5964 def __init__(self, *args):
5966 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
5967 __init__(OptimizerState self) -> OptimizerState
5969 if self.__class__ == OptimizerState:
5973 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
5975 if self.__class__ != OptimizerState:
5976 _director_objects.register(self)
5982 r"""update(OptimizerState self)"""
5983 return _IMP_kernel.OptimizerState_update(self)
5985 def set_is_optimizing(self, arg0):
5986 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
5987 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
5989 def get_optimizer(self):
5990 r"""get_optimizer(OptimizerState self) -> Optimizer"""
5991 return _IMP_kernel.OptimizerState_get_optimizer(self)
5993 def set_period(self, p):
5994 r"""set_period(OptimizerState self, unsigned int p)"""
5995 return _IMP_kernel.OptimizerState_set_period(self, p)
5997 def get_period(self):
5998 r"""get_period(OptimizerState self) -> unsigned int"""
5999 return _IMP_kernel.OptimizerState_get_period(self)
6002 r"""reset(OptimizerState self)"""
6003 return _IMP_kernel.OptimizerState_reset(self)
6005 def update_always(self):
6006 r"""update_always(OptimizerState self)"""
6007 return _IMP_kernel.OptimizerState_update_always(self)
6009 def get_number_of_updates(self):
6010 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
6011 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
6013 def set_number_of_updates(self, n):
6014 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
6015 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
6016 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
6018 def do_update(self, arg0):
6019 r"""do_update(OptimizerState self, unsigned int arg0)"""
6020 return _IMP_kernel.OptimizerState_do_update(self, arg0)
6022 def do_set_is_optimizing(self, arg0):
6023 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
6024 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
6026 def do_get_inputs(self):
6027 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6028 return _IMP_kernel.OptimizerState_do_get_inputs(self)
6030 def do_get_outputs(self):
6031 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6032 return _IMP_kernel.OptimizerState_do_get_outputs(self)
6035 r"""__str__(OptimizerState self) -> std::string"""
6036 return _IMP_kernel.OptimizerState___str__(self)
6039 r"""__repr__(OptimizerState self) -> std::string"""
6040 return _IMP_kernel.OptimizerState___repr__(self)
6044 return _object_cast_to_OptimizerState(o)
6047 def do_show(self, out):
6052 return _object_cast_to_OptimizerState(o)
6055 def _get_jax(self, state_index):
6056 """Add JAX support for this OptimizerState.
6058 Each OptimizerState must explicitly support how it is going to
6059 be called when the Optimizer is run via JAX.
6061 OptimizerStates can run as traditional IMP CPU code
6062 on the IMP Model object, in which case None should be returned here.
6063 The Optimizer will sync any necessary information from JAX back
6064 with the IMP Model before calling the OptimizerState. However,
6065 the OptimizerState is not permitted to modify the Model; any
6066 changes will not be propagated back to the Optimizer.
6067 (For example, a thermostat which tries to change particle
6068 velocities will not function correctly.)
6070 Alternatively, a pure JAX implementation can be provided.
6071 See _wrap_jax for more information.
6073 raise NotImplementedError(f
"No JAX implementation for {self}")
6075 def _wrap_jax(self, init_func, apply_func):
6076 """Create the return value for _get_jax.
6077 Use this method in _get_jax() to wrap the JAX function
6078 with other OptimizerState-specific information.
6080 @param init_func a JAX function which, given a JAX Optimizer,
6081 does any necessary setup and returns a (possibly modified)
6082 JAX Optimizer. If any OptimizerState-specific
6083 persistent state is needed, it can be stored in
6084 `opt.optimizer_states[state_index]` and later retrieved or
6085 modified in apply_func.
6086 @param apply_func a JAX function which, given a JAX Optimizer,
6087 does the JAX equivalent of do_update() and returns a new
6090 from IMP._jax_util
import JAXOptimizerStateInfo
6091 return JAXOptimizerStateInfo(self, init_func, apply_func)
6093 def __disown__(self):
6095 _IMP_kernel.disown_OptimizerState(self)
6096 return weakref.proxy(self)
6099 r"""do_destroy(OptimizerState self)"""
6100 return _IMP_kernel.OptimizerState_do_destroy(self)
6102 def handle_set_has_required_score_states(self, arg0):
6103 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
6104 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
6106 def do_get_interactions(self):
6107 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
6108 return _IMP_kernel.OptimizerState_do_get_interactions(self)
6111 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
6113 r"""Proxy of C++ IMP::Refiner class."""
6115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6117 def __init__(self, *args):
6118 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
6119 if self.__class__ == Refiner:
6123 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
6125 if self.__class__ != Refiner:
6126 _director_objects.register(self)
6131 def get_can_refine(self, arg0):
6132 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
6133 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
6135 def get_refined_indexes(self, m, pi):
6136 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
6137 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
6139 def get_refined_indexes_by_ref(self, m, pi):
6140 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
6141 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
6143 def get_is_by_ref_supported(self):
6144 r"""get_is_by_ref_supported(Refiner self) -> bool"""
6145 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
6147 def get_refined(self, *args):
6149 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
6150 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
6152 return _IMP_kernel.Refiner_get_refined(self, *args)
6154 def get_number_of_refined(self, a):
6155 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
6156 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
6159 r"""__str__(Refiner self) -> std::string"""
6160 return _IMP_kernel.Refiner___str__(self)
6163 r"""__repr__(Refiner self) -> std::string"""
6164 return _IMP_kernel.Refiner___repr__(self)
6168 return _object_cast_to_Refiner(o)
6171 def do_show(self, out):
6176 return _object_cast_to_Refiner(o)
6178 __swig_destroy__ = _IMP_kernel.delete_Refiner
6179 def __disown__(self):
6181 _IMP_kernel.disown_Refiner(self)
6182 return weakref.proxy(self)
6184 def do_get_inputs(self, m, pis):
6185 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6186 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
6189 r"""do_destroy(Refiner self)"""
6190 return _IMP_kernel.Refiner_do_destroy(self)
6193 _IMP_kernel.Refiner_swigregister(Refiner)
6195 r"""Proxy of C++ IMP::Optimizer class."""
6197 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6199 def set_is_optimizing_states(self, tf):
6200 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
6201 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
6203 def get_optimizer_state_inputs(self):
6204 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6205 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
6207 def do_get_inputs(self):
6208 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6209 return _IMP_kernel.Optimizer_do_get_inputs(self)
6211 def do_get_outputs(self):
6212 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6213 return _IMP_kernel.Optimizer_do_get_outputs(self)
6215 def __init__(self, *args):
6217 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
6218 __init__(Optimizer self) -> Optimizer
6220 if self.__class__ == Optimizer:
6224 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
6226 if self.__class__ != Optimizer:
6227 _director_objects.register(self)
6232 def optimize(self, max_steps):
6233 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
6234 return _IMP_kernel.Optimizer_optimize(self, max_steps)
6236 def set_stop_on_good_score(self, tf):
6237 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
6238 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
6240 def get_stop_on_good_score(self):
6241 r"""get_stop_on_good_score(Optimizer self) -> bool"""
6242 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
6244 def get_last_score(self):
6245 r"""get_last_score(Optimizer self) -> double"""
6246 return _IMP_kernel.Optimizer_get_last_score(self)
6248 def get_scoring_function(self):
6249 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
6250 return _IMP_kernel.Optimizer_get_scoring_function(self)
6251 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)
6252 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
6253 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
6254 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
6256 def remove_optimizer_state(self, d):
6257 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
6258 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
6260 def _python_index_optimizer_state(self, d, start, stop):
6261 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
6262 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
6264 def remove_optimizer_states(self, d):
6265 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
6266 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
6268 def set_optimizer_states(self, ps):
6269 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
6270 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
6272 def set_optimizer_states_order(self, objs):
6273 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
6274 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
6276 def add_optimizer_state(self, obj):
6277 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
6278 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
6280 def add_optimizer_states(self, objs):
6281 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
6282 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
6284 def clear_optimizer_states(self):
6285 r"""clear_optimizer_states(Optimizer self)"""
6286 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
6288 def get_number_of_optimizer_states(self):
6289 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
6290 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
6292 def get_has_optimizer_states(self):
6293 r"""get_has_optimizer_states(Optimizer self) -> bool"""
6294 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
6296 def get_optimizer_state(self, i):
6297 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
6298 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
6300 def get_optimizer_states(self):
6301 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
6302 return _IMP_kernel.Optimizer_get_optimizer_states(self)
6304 def erase_optimizer_state(self, i):
6305 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
6306 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
6308 def reserve_optimizer_states(self, sz):
6309 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
6310 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
6312 def set_scoring_function(self, sf):
6313 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
6314 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
6315 __swig_destroy__ = _IMP_kernel.delete_Optimizer
6317 r"""__del__(Optimizer self)"""
6319 _director_objects.cleanup()
6325 def do_optimize(self, ns):
6326 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
6327 return _IMP_kernel.Optimizer_do_optimize(self, ns)
6329 def update_states(self):
6330 r"""update_states(Optimizer self)"""
6331 return _IMP_kernel.Optimizer_update_states(self)
6334 r"""__str__(Optimizer self) -> std::string"""
6335 return _IMP_kernel.Optimizer___str__(self)
6338 r"""__repr__(Optimizer self) -> std::string"""
6339 return _IMP_kernel.Optimizer___repr__(self)
6343 return _object_cast_to_Optimizer(o)
6346 def do_show(self, out):
6351 return _object_cast_to_Optimizer(o)
6353 def __disown__(self):
6355 _IMP_kernel.disown_Optimizer(self)
6356 return weakref.proxy(self)
6359 r"""do_destroy(Optimizer self)"""
6360 return _IMP_kernel.Optimizer_do_destroy(self)
6362 def handle_set_has_required_score_states(self, arg0):
6363 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
6364 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
6366 def do_get_interactions(self):
6367 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
6368 return _IMP_kernel.Optimizer_do_get_interactions(self)
6371 _IMP_kernel.Optimizer_swigregister(Optimizer)
6373 r"""Proxy of C++ IMP::AttributeOptimizer class."""
6375 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6377 def __init__(self, *args):
6379 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
6380 __init__(AttributeOptimizer self) -> AttributeOptimizer
6382 if self.__class__ == AttributeOptimizer:
6386 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
6388 if self.__class__ != AttributeOptimizer:
6389 _director_objects.register(self)
6394 def get_optimized_attributes(self):
6395 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
6396 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
6398 def set_value(self, fi, v):
6399 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
6400 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
6402 def get_value(self, fi):
6403 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6404 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
6406 def get_derivative(self, fi):
6407 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6408 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
6410 def get_width(self, k):
6411 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
6412 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
6414 def set_scaled_value(self, fi, v):
6415 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
6416 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
6418 def get_scaled_value(self, fi):
6419 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
6420 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
6422 def get_scaled_derivative(self, fi):
6423 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
6424 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
6426 def clear_range_cache(self):
6427 r"""clear_range_cache(AttributeOptimizer self)"""
6428 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
6431 r"""__str__(AttributeOptimizer self) -> std::string"""
6432 return _IMP_kernel.AttributeOptimizer___str__(self)
6435 r"""__repr__(AttributeOptimizer self) -> std::string"""
6436 return _IMP_kernel.AttributeOptimizer___repr__(self)
6440 return _object_cast_to_AttributeOptimizer(o)
6443 def do_show(self, out):
6448 return _object_cast_to_AttributeOptimizer(o)
6450 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
6451 def __disown__(self):
6453 _IMP_kernel.disown_AttributeOptimizer(self)
6454 return weakref.proxy(self)
6457 r"""do_destroy(AttributeOptimizer self)"""
6458 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
6460 def handle_set_has_required_score_states(self, arg0):
6461 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
6462 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
6464 def do_get_inputs(self):
6465 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6466 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
6468 def do_get_outputs(self):
6469 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6470 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
6472 def do_get_interactions(self):
6473 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
6474 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
6476 def do_optimize(self, ns):
6477 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
6478 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
6481 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
6483 r"""Proxy of C++ IMP::ConfigurationSet class."""
6485 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6487 def __init__(self, *args):
6488 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
6489 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
6491 def save_configuration(self):
6492 r"""save_configuration(ConfigurationSet self)"""
6493 return _IMP_kernel.ConfigurationSet_save_configuration(self)
6495 def get_number_of_configurations(self):
6496 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
6497 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
6499 def load_configuration(self, i):
6500 r"""load_configuration(ConfigurationSet self, int i)"""
6501 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
6503 def remove_configuration(self, i):
6504 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
6505 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
6507 def get_model(self):
6508 r"""get_model(ConfigurationSet self) -> Model"""
6509 return _IMP_kernel.ConfigurationSet_get_model(self)
6512 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
6513 return _IMP_kernel.ConfigurationSet_get_version_info(self)
6514 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
6517 r"""__str__(ConfigurationSet self) -> std::string"""
6518 return _IMP_kernel.ConfigurationSet___str__(self)
6521 r"""__repr__(ConfigurationSet self) -> std::string"""
6522 return _IMP_kernel.ConfigurationSet___repr__(self)
6526 return _object_cast_to_ConfigurationSet(o)
6530 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
6532 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
6534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6536 def __init__(self, cs):
6537 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
6538 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
6541 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
6542 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
6543 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
6546 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6547 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
6550 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6551 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
6555 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
6559 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
6561 r"""Proxy of C++ IMP::Configuration class."""
6563 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6565 def __init__(self, *args):
6567 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
6568 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
6570 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
6572 def load_configuration(self):
6573 r"""load_configuration(Configuration self)"""
6574 return _IMP_kernel.Configuration_load_configuration(self)
6576 def swap_configuration(self):
6577 r"""swap_configuration(Configuration self)"""
6578 return _IMP_kernel.Configuration_swap_configuration(self)
6581 r"""get_version_info(Configuration self) -> VersionInfo"""
6582 return _IMP_kernel.Configuration_get_version_info(self)
6583 __swig_destroy__ = _IMP_kernel.delete_Configuration
6586 r"""__str__(Configuration self) -> std::string"""
6587 return _IMP_kernel.Configuration___str__(self)
6590 r"""__repr__(Configuration self) -> std::string"""
6591 return _IMP_kernel.Configuration___repr__(self)
6595 return _object_cast_to_Configuration(o)
6599 _IMP_kernel.Configuration_swigregister(Configuration)
6601 r"""Proxy of C++ IMP::Sampler class."""
6603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6605 def __init__(self, *args):
6606 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
6607 if self.__class__ == Sampler:
6611 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
6613 if self.__class__ != Sampler:
6614 _director_objects.register(self)
6619 def create_sample(self):
6620 r"""create_sample(Sampler self) -> ConfigurationSet"""
6621 return _IMP_kernel.Sampler_create_sample(self)
6623 def get_scoring_function(self):
6624 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
6625 return _IMP_kernel.Sampler_get_scoring_function(self)
6627 def set_scoring_function(self, sf):
6628 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
6629 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
6631 def get_model(self):
6632 r"""get_model(Sampler self) -> Model"""
6633 return _IMP_kernel.Sampler_get_model(self)
6635 def do_sample(self):
6636 r"""do_sample(Sampler self) -> ConfigurationSet"""
6637 return _IMP_kernel.Sampler_do_sample(self)
6638 __swig_destroy__ = _IMP_kernel.delete_Sampler
6641 r"""__str__(Sampler self) -> std::string"""
6642 return _IMP_kernel.Sampler___str__(self)
6645 r"""__repr__(Sampler self) -> std::string"""
6646 return _IMP_kernel.Sampler___repr__(self)
6650 return _object_cast_to_Sampler(o)
6653 def do_show(self, out):
6658 return _object_cast_to_Sampler(o)
6660 def __disown__(self):
6662 _IMP_kernel.disown_Sampler(self)
6663 return weakref.proxy(self)
6666 r"""do_destroy(Sampler self)"""
6667 return _IMP_kernel.Sampler_do_destroy(self)
6670 _IMP_kernel.Sampler_swigregister(Sampler)
6672 r"""Proxy of C++ IMP::PairModifier class."""
6674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6676 def __init__(self, *args):
6677 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
6678 if self.__class__ == PairModifier:
6682 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
6684 if self.__class__ != PairModifier:
6685 _director_objects.register(self)
6690 def apply_index(self, m, v):
6691 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
6692 return _IMP_kernel.PairModifier_apply_index(self, m, v)
6694 def apply_indexes(self, m, o, lower_bound, upper_bound):
6695 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
6696 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
6698 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
6699 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)"""
6700 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
6703 r"""__str__(PairModifier self) -> std::string"""
6704 return _IMP_kernel.PairModifier___str__(self)
6707 r"""__repr__(PairModifier self) -> std::string"""
6708 return _IMP_kernel.PairModifier___repr__(self)
6712 return _object_cast_to_PairModifier(o)
6715 def do_show(self, out):
6720 return _object_cast_to_PairModifier(o)
6722 __swig_destroy__ = _IMP_kernel.delete_PairModifier
6723 def __disown__(self):
6725 _IMP_kernel.disown_PairModifier(self)
6726 return weakref.proxy(self)
6728 def do_get_inputs(self, m, pis):
6729 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6730 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
6732 def do_get_outputs(self, m, pis):
6733 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6734 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
6737 r"""do_destroy(PairModifier self)"""
6738 return _IMP_kernel.PairModifier_do_destroy(self)
6741 _IMP_kernel.PairModifier_swigregister(PairModifier)
6743 r"""Proxy of C++ IMP::PairScore class."""
6745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6747 def __init__(self, *args):
6748 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
6749 if self.__class__ == PairScore:
6753 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
6755 if self.__class__ != PairScore:
6756 _director_objects.register(self)
6761 def evaluate_index(self, m, vt, da):
6762 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
6763 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
6765 def check_indexes(self, m, pis):
6766 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
6767 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
6769 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
6770 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"""
6771 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
6773 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6774 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"""
6775 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
6777 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
6778 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"""
6779 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
6781 def evaluate_if_good_index(self, m, vt, da, max):
6782 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
6783 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
6785 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6786 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"""
6787 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
6789 def create_current_decomposition(self, m, vt):
6790 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6791 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
6793 def do_create_current_decomposition(self, m, vt):
6794 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6795 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
6796 __swig_destroy__ = _IMP_kernel.delete_PairScore
6799 r"""__str__(PairScore self) -> std::string"""
6800 return _IMP_kernel.PairScore___str__(self)
6803 r"""__repr__(PairScore self) -> std::string"""
6804 return _IMP_kernel.PairScore___repr__(self)
6808 return _object_cast_to_PairScore(o)
6811 def do_show(self, out):
6816 return _object_cast_to_PairScore(o)
6819 def _wrap_jax(self, m, score_func, keys=None):
6820 """Create the return value for _get_jax.
6821 Use this method in _get_jax() to wrap the JAX scoring function
6822 with other score-specific information.
6824 @param m The IMP.Model that the score will act on.
6825 @param score_func A function implemented using JAX that takes
6826 one argument (the current JAX Model) and returns the total
6828 @param keys Model attributes used by the PairScore.
6829 See IMP::Restraint::_wrap_jax.
6831 from IMP._jax_util
import JAXScoreInfo
6832 return JAXScoreInfo(m, score_func=score_func, keys=keys)
6834 def _get_jax(self, m, indexes):
6835 """Return a JAX implementation of this PairScore.
6836 Implement this method in a PairScore subclass to provide
6837 an equivalent function using [JAX](https://docs.jax.dev/)
6838 that scores the current JAX Model with a given set of
6839 ParticlePairIndexes. See also _wrap_jax.
6841 @param m The IMP.Model that the score will act on.
6842 @param indexes The ParticlePairIndexes that the score will act on.
6844 raise NotImplementedError(f
"No JAX implementation for {self}")
6846 def __disown__(self):
6848 _IMP_kernel.disown_PairScore(self)
6849 return weakref.proxy(self)
6851 def do_get_inputs(self, m, pis):
6852 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6853 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
6856 r"""do_destroy(PairScore self)"""
6857 return _IMP_kernel.PairScore_do_destroy(self)
6860 _IMP_kernel.PairScore_swigregister(PairScore)
6862 r"""Proxy of C++ IMP::PairPredicate class."""
6864 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6866 def __init__(self, *args):
6867 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
6868 if self.__class__ == PairPredicate:
6872 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
6874 if self.__class__ != PairPredicate:
6875 _director_objects.register(self)
6880 def setup_for_get_value_index_in_batch(self, arg0):
6881 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
6882 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
6884 def get_value_index_in_batch(self, m, vt):
6885 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6886 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
6888 def __call__(self, m, vt):
6889 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6890 return _IMP_kernel.PairPredicate___call__(self, m, vt)
6892 def get_value_index(self, *args):
6894 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
6895 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6897 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
6898 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
6901 r"""__str__(PairPredicate self) -> std::string"""
6902 return _IMP_kernel.PairPredicate___str__(self)
6905 r"""__repr__(PairPredicate self) -> std::string"""
6906 return _IMP_kernel.PairPredicate___repr__(self)
6910 return _object_cast_to_PairPredicate(o)
6913 def do_show(self, out):
6918 return _object_cast_to_PairPredicate(o)
6920 def __disown__(self):
6922 _IMP_kernel.disown_PairPredicate(self)
6923 return weakref.proxy(self)
6925 def do_get_inputs(self, m, pis):
6926 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6927 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
6930 r"""do_destroy(PairPredicate self)"""
6931 return _IMP_kernel.PairPredicate_do_destroy(self)
6934 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
6936 r"""Proxy of C++ IMP::PairContainer class."""
6938 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6940 def apply_generic(self, m):
6941 r"""apply_generic(PairContainer self, PairModifier m)"""
6942 return _IMP_kernel.PairContainer_apply_generic(self, m)
6944 def apply_generic_moved(self, m, moved_pis, reset_pis):
6945 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6946 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
6948 def apply(self, sm):
6949 r"""apply(PairContainer self, PairModifier sm)"""
6950 return _IMP_kernel.PairContainer_apply(self, sm)
6952 def apply_moved(self, sm, moved_pis, reset_pis):
6953 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6954 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
6956 def get_range_indexes(self):
6957 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6958 return _IMP_kernel.PairContainer_get_range_indexes(self)
6960 def get_contents(self):
6961 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
6962 return _IMP_kernel.PairContainer_get_contents(self)
6965 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6966 return _IMP_kernel.PairContainer_get_indexes(self)
6968 def get(self, *args):
6970 get(PairContainer self) -> IMP::ParticlePairsTemp
6971 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
6973 return _IMP_kernel.PairContainer_get(self, *args)
6975 def get_number(self):
6976 r"""get_number(PairContainer self) -> unsigned int"""
6977 return _IMP_kernel.PairContainer_get_number(self)
6979 def __init__(self, *args):
6981 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
6982 __init__(PairContainer self) -> PairContainer
6984 if self.__class__ == PairContainer:
6988 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
6990 if self.__class__ != PairContainer:
6991 _director_objects.register(self)
6996 def do_apply(self, sm):
6997 r"""do_apply(PairContainer self, PairModifier sm)"""
6998 return _IMP_kernel.PairContainer_do_apply(self, sm)
7000 def do_apply_moved(self, sm, moved_pis, reset_pis):
7001 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7002 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7004 def do_get_provides_access(self):
7005 r"""do_get_provides_access(PairContainer self) -> bool"""
7006 return _IMP_kernel.PairContainer_do_get_provides_access(self)
7007 __swig_destroy__ = _IMP_kernel.delete_PairContainer
7010 r"""__str__(PairContainer self) -> std::string"""
7011 return _IMP_kernel.PairContainer___str__(self)
7014 r"""__repr__(PairContainer self) -> std::string"""
7015 return _IMP_kernel.PairContainer___repr__(self)
7019 return _object_cast_to_PairContainer(o)
7022 def do_show(self, out):
7027 return _object_cast_to_PairContainer(o)
7029 def __disown__(self):
7031 _IMP_kernel.disown_PairContainer(self)
7032 return weakref.proxy(self)
7035 r"""do_destroy(PairContainer self)"""
7036 return _IMP_kernel.PairContainer_do_destroy(self)
7038 def handle_set_has_required_score_states(self, arg0):
7039 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
7040 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
7042 def do_get_inputs(self):
7043 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
7044 return _IMP_kernel.PairContainer_do_get_inputs(self)
7046 def do_get_interactions(self):
7047 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
7048 return _IMP_kernel.PairContainer_do_get_interactions(self)
7050 def do_get_contents_hash(self):
7051 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
7052 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
7055 _IMP_kernel.PairContainer_swigregister(PairContainer)
7056 class _PairContainerAdaptor(_InputAdaptor):
7057 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
7059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7060 __repr__ = _swig_repr
7062 def __init__(self, *args):
7064 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
7065 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
7066 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
7068 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
7070 def set_name_if_default(self, name):
7071 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
7072 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
7073 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
7076 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
7078 r"""Proxy of C++ IMP::QuadModifier class."""
7080 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7082 def __init__(self, *args):
7083 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
7084 if self.__class__ == QuadModifier:
7088 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
7090 if self.__class__ != QuadModifier:
7091 _director_objects.register(self)
7096 def apply_index(self, m, v):
7097 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
7098 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
7100 def apply_indexes(self, m, o, lower_bound, upper_bound):
7101 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7102 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7104 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7105 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)"""
7106 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7109 r"""__str__(QuadModifier self) -> std::string"""
7110 return _IMP_kernel.QuadModifier___str__(self)
7113 r"""__repr__(QuadModifier self) -> std::string"""
7114 return _IMP_kernel.QuadModifier___repr__(self)
7118 return _object_cast_to_QuadModifier(o)
7121 def do_show(self, out):
7126 return _object_cast_to_QuadModifier(o)
7128 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
7129 def __disown__(self):
7131 _IMP_kernel.disown_QuadModifier(self)
7132 return weakref.proxy(self)
7134 def do_get_inputs(self, m, pis):
7135 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7136 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
7138 def do_get_outputs(self, m, pis):
7139 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7140 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
7143 r"""do_destroy(QuadModifier self)"""
7144 return _IMP_kernel.QuadModifier_do_destroy(self)
7147 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
7149 r"""Proxy of C++ IMP::QuadScore class."""
7151 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7153 def __init__(self, *args):
7154 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
7155 if self.__class__ == QuadScore:
7159 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
7161 if self.__class__ != QuadScore:
7162 _director_objects.register(self)
7167 def evaluate_index(self, m, vt, da):
7168 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
7169 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
7171 def check_indexes(self, m, pis):
7172 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7173 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
7175 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7176 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"""
7177 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7179 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7180 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"""
7181 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7183 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7184 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"""
7185 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7187 def evaluate_if_good_index(self, m, vt, da, max):
7188 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
7189 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
7191 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7192 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"""
7193 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7195 def create_current_decomposition(self, m, vt):
7196 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7197 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
7199 def do_create_current_decomposition(self, m, vt):
7200 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7201 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
7202 __swig_destroy__ = _IMP_kernel.delete_QuadScore
7205 r"""__str__(QuadScore self) -> std::string"""
7206 return _IMP_kernel.QuadScore___str__(self)
7209 r"""__repr__(QuadScore self) -> std::string"""
7210 return _IMP_kernel.QuadScore___repr__(self)
7214 return _object_cast_to_QuadScore(o)
7217 def do_show(self, out):
7222 return _object_cast_to_QuadScore(o)
7224 def __disown__(self):
7226 _IMP_kernel.disown_QuadScore(self)
7227 return weakref.proxy(self)
7229 def do_get_inputs(self, m, pis):
7230 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7231 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
7234 r"""do_destroy(QuadScore self)"""
7235 return _IMP_kernel.QuadScore_do_destroy(self)
7238 _IMP_kernel.QuadScore_swigregister(QuadScore)
7240 r"""Proxy of C++ IMP::QuadPredicate class."""
7242 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7244 def __init__(self, *args):
7245 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
7246 if self.__class__ == QuadPredicate:
7250 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
7252 if self.__class__ != QuadPredicate:
7253 _director_objects.register(self)
7258 def setup_for_get_value_index_in_batch(self, arg0):
7259 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
7260 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
7262 def get_value_index_in_batch(self, m, vt):
7263 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7264 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
7266 def __call__(self, m, vt):
7267 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7268 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
7270 def get_value_index(self, *args):
7272 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
7273 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
7275 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
7276 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
7279 r"""__str__(QuadPredicate self) -> std::string"""
7280 return _IMP_kernel.QuadPredicate___str__(self)
7283 r"""__repr__(QuadPredicate self) -> std::string"""
7284 return _IMP_kernel.QuadPredicate___repr__(self)
7288 return _object_cast_to_QuadPredicate(o)
7291 def do_show(self, out):
7296 return _object_cast_to_QuadPredicate(o)
7298 def __disown__(self):
7300 _IMP_kernel.disown_QuadPredicate(self)
7301 return weakref.proxy(self)
7303 def do_get_inputs(self, m, pis):
7304 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7305 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
7308 r"""do_destroy(QuadPredicate self)"""
7309 return _IMP_kernel.QuadPredicate_do_destroy(self)
7312 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
7314 r"""Proxy of C++ IMP::QuadContainer class."""
7316 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7318 def apply_generic(self, m):
7319 r"""apply_generic(QuadContainer self, QuadModifier m)"""
7320 return _IMP_kernel.QuadContainer_apply_generic(self, m)
7322 def apply_generic_moved(self, m, moved_pis, reset_pis):
7323 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7324 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7326 def apply(self, sm):
7327 r"""apply(QuadContainer self, QuadModifier sm)"""
7328 return _IMP_kernel.QuadContainer_apply(self, sm)
7330 def apply_moved(self, sm, moved_pis, reset_pis):
7331 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7332 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
7334 def get_range_indexes(self):
7335 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7336 return _IMP_kernel.QuadContainer_get_range_indexes(self)
7338 def get_contents(self):
7339 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
7340 return _IMP_kernel.QuadContainer_get_contents(self)
7343 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7344 return _IMP_kernel.QuadContainer_get_indexes(self)
7346 def get(self, *args):
7348 get(QuadContainer self) -> IMP::ParticleQuadsTemp
7349 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
7351 return _IMP_kernel.QuadContainer_get(self, *args)
7353 def get_number(self):
7354 r"""get_number(QuadContainer self) -> unsigned int"""
7355 return _IMP_kernel.QuadContainer_get_number(self)
7357 def __init__(self, *args):
7359 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
7360 __init__(QuadContainer self) -> QuadContainer
7362 if self.__class__ == QuadContainer:
7366 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
7368 if self.__class__ != QuadContainer:
7369 _director_objects.register(self)
7374 def do_apply(self, sm):
7375 r"""do_apply(QuadContainer self, QuadModifier sm)"""
7376 return _IMP_kernel.QuadContainer_do_apply(self, sm)
7378 def do_apply_moved(self, sm, moved_pis, reset_pis):
7379 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7380 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7382 def do_get_provides_access(self):
7383 r"""do_get_provides_access(QuadContainer self) -> bool"""
7384 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
7385 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
7388 r"""__str__(QuadContainer self) -> std::string"""
7389 return _IMP_kernel.QuadContainer___str__(self)
7392 r"""__repr__(QuadContainer self) -> std::string"""
7393 return _IMP_kernel.QuadContainer___repr__(self)
7397 return _object_cast_to_QuadContainer(o)
7400 def do_show(self, out):
7405 return _object_cast_to_QuadContainer(o)
7407 def __disown__(self):
7409 _IMP_kernel.disown_QuadContainer(self)
7410 return weakref.proxy(self)
7413 r"""do_destroy(QuadContainer self)"""
7414 return _IMP_kernel.QuadContainer_do_destroy(self)
7416 def handle_set_has_required_score_states(self, arg0):
7417 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
7418 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
7420 def do_get_inputs(self):
7421 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
7422 return _IMP_kernel.QuadContainer_do_get_inputs(self)
7424 def do_get_interactions(self):
7425 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
7426 return _IMP_kernel.QuadContainer_do_get_interactions(self)
7428 def do_get_contents_hash(self):
7429 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
7430 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
7433 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
7434 class _QuadContainerAdaptor(_InputAdaptor):
7435 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
7437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7438 __repr__ = _swig_repr
7440 def __init__(self, *args):
7442 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
7443 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
7444 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
7446 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
7448 def set_name_if_default(self, name):
7449 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
7450 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
7451 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
7454 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
7456 r"""Proxy of C++ IMP::SingletonModifier class."""
7458 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7460 def __init__(self, *args):
7461 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
7462 if self.__class__ == SingletonModifier:
7466 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
7468 if self.__class__ != SingletonModifier:
7469 _director_objects.register(self)
7474 def apply_index(self, m, v):
7475 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
7476 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
7478 def apply_indexes(self, m, o, lower_bound, upper_bound):
7479 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7480 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7482 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7483 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)"""
7484 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7487 r"""__str__(SingletonModifier self) -> std::string"""
7488 return _IMP_kernel.SingletonModifier___str__(self)
7491 r"""__repr__(SingletonModifier self) -> std::string"""
7492 return _IMP_kernel.SingletonModifier___repr__(self)
7496 return _object_cast_to_SingletonModifier(o)
7499 def do_show(self, out):
7504 return _object_cast_to_SingletonModifier(o)
7507 def _wrap_jax(self, apply_func, keys=None):
7508 """Create the return value for _get_jax.
7509 Use this method in _get_jax() to wrap the JAX function
7510 with other modifier-specific information.
7512 @param apply_func A function implemented using JAX that takes
7513 one argument (the current JAX Model) and returns a new
7515 @param keys Model attributes used by the SingletonModifier.
7516 See IMP::Restraint::_wrap_jax.
7518 from IMP._jax_util
import JAXModifierInfo
7519 return JAXModifierInfo(apply_func=apply_func, keys=keys)
7521 def _get_jax(self, m, indexes):
7522 """Return a JAX implementation of this SingletonModifier.
7523 Implement this method in a SingletonModifier subclass to provide
7524 an equivalent function using [JAX](https://docs.jax.dev/)
7525 that modifies the current JAX Model. See also _wrap_jax.
7527 @param m The IMP.Model that the modifier will act on.
7528 @param indexes The ParticleIndexes that the modifier will act on.
7530 raise NotImplementedError(f
"No JAX implementation for {self}")
7532 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
7533 def __disown__(self):
7535 _IMP_kernel.disown_SingletonModifier(self)
7536 return weakref.proxy(self)
7538 def do_get_inputs(self, m, pis):
7539 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7540 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
7542 def do_get_outputs(self, m, pis):
7543 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7544 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
7547 r"""do_destroy(SingletonModifier self)"""
7548 return _IMP_kernel.SingletonModifier_do_destroy(self)
7551 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
7553 r"""Proxy of C++ IMP::SingletonScore class."""
7555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7557 def __init__(self, *args):
7558 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
7559 if self.__class__ == SingletonScore:
7563 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
7565 if self.__class__ != SingletonScore:
7566 _director_objects.register(self)
7571 def evaluate_index(self, m, vt, da):
7572 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
7573 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
7575 def check_indexes(self, m, pis):
7576 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7577 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
7579 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7580 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"""
7581 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7583 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7584 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"""
7585 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7587 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7588 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"""
7589 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7591 def evaluate_if_good_index(self, m, vt, da, max):
7592 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
7593 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
7595 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7596 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"""
7597 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7599 def create_current_decomposition(self, m, vt):
7600 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7601 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
7603 def do_create_current_decomposition(self, m, vt):
7604 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7605 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
7606 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
7609 r"""__str__(SingletonScore self) -> std::string"""
7610 return _IMP_kernel.SingletonScore___str__(self)
7613 r"""__repr__(SingletonScore self) -> std::string"""
7614 return _IMP_kernel.SingletonScore___repr__(self)
7618 return _object_cast_to_SingletonScore(o)
7621 def do_show(self, out):
7626 return _object_cast_to_SingletonScore(o)
7629 def _wrap_jax(self, m, score_func, keys=None):
7630 """See IMP::PairScore::_wrap_jax"""
7631 from IMP._jax_util
import JAXScoreInfo
7632 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7634 def _get_jax(self, m, indexes):
7635 """See IMP::PairScore::_get_jax"""
7636 raise NotImplementedError(f
"No JAX implementation for {self}")
7638 def __disown__(self):
7640 _IMP_kernel.disown_SingletonScore(self)
7641 return weakref.proxy(self)
7643 def do_get_inputs(self, m, pis):
7644 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7645 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
7648 r"""do_destroy(SingletonScore self)"""
7649 return _IMP_kernel.SingletonScore_do_destroy(self)
7652 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
7654 r"""Proxy of C++ IMP::SingletonPredicate class."""
7656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7658 def __init__(self, *args):
7659 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
7660 if self.__class__ == SingletonPredicate:
7664 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
7666 if self.__class__ != SingletonPredicate:
7667 _director_objects.register(self)
7672 def setup_for_get_value_index_in_batch(self, arg0):
7673 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
7674 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
7676 def get_value_index_in_batch(self, m, vt):
7677 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7678 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
7680 def __call__(self, m, vt):
7681 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7682 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
7684 def get_value_index(self, *args):
7686 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
7687 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
7689 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
7690 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
7693 r"""__str__(SingletonPredicate self) -> std::string"""
7694 return _IMP_kernel.SingletonPredicate___str__(self)
7697 r"""__repr__(SingletonPredicate self) -> std::string"""
7698 return _IMP_kernel.SingletonPredicate___repr__(self)
7702 return _object_cast_to_SingletonPredicate(o)
7705 def do_show(self, out):
7710 return _object_cast_to_SingletonPredicate(o)
7712 def __disown__(self):
7714 _IMP_kernel.disown_SingletonPredicate(self)
7715 return weakref.proxy(self)
7717 def do_get_inputs(self, m, pis):
7718 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7719 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
7722 r"""do_destroy(SingletonPredicate self)"""
7723 return _IMP_kernel.SingletonPredicate_do_destroy(self)
7726 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
7728 r"""Proxy of C++ IMP::SingletonContainer class."""
7730 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7732 def apply_generic(self, m):
7733 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
7734 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
7736 def apply_generic_moved(self, m, moved_pis, reset_pis):
7737 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7738 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7740 def apply(self, sm):
7741 r"""apply(SingletonContainer self, SingletonModifier sm)"""
7742 return _IMP_kernel.SingletonContainer_apply(self, sm)
7744 def apply_moved(self, sm, moved_pis, reset_pis):
7745 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7746 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
7748 def get_range_indexes(self):
7749 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7750 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
7752 def get_contents(self):
7753 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
7754 return _IMP_kernel.SingletonContainer_get_contents(self)
7757 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7758 return _IMP_kernel.SingletonContainer_get_indexes(self)
7760 def get(self, *args):
7762 get(SingletonContainer self) -> IMP::ParticlesTemp
7763 get(SingletonContainer self, unsigned int i) -> Particle
7765 return _IMP_kernel.SingletonContainer_get(self, *args)
7767 def get_number(self):
7768 r"""get_number(SingletonContainer self) -> unsigned int"""
7769 return _IMP_kernel.SingletonContainer_get_number(self)
7771 def __init__(self, *args):
7773 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
7774 __init__(SingletonContainer self) -> SingletonContainer
7776 if self.__class__ == SingletonContainer:
7780 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
7782 if self.__class__ != SingletonContainer:
7783 _director_objects.register(self)
7788 def do_apply(self, sm):
7789 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
7790 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
7792 def do_apply_moved(self, sm, moved_pis, reset_pis):
7793 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7794 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7796 def do_get_provides_access(self):
7797 r"""do_get_provides_access(SingletonContainer self) -> bool"""
7798 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
7799 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
7802 r"""__str__(SingletonContainer self) -> std::string"""
7803 return _IMP_kernel.SingletonContainer___str__(self)
7806 r"""__repr__(SingletonContainer self) -> std::string"""
7807 return _IMP_kernel.SingletonContainer___repr__(self)
7811 return _object_cast_to_SingletonContainer(o)
7814 def do_show(self, out):
7819 return _object_cast_to_SingletonContainer(o)
7821 def __disown__(self):
7823 _IMP_kernel.disown_SingletonContainer(self)
7824 return weakref.proxy(self)
7827 r"""do_destroy(SingletonContainer self)"""
7828 return _IMP_kernel.SingletonContainer_do_destroy(self)
7830 def handle_set_has_required_score_states(self, arg0):
7831 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
7832 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
7834 def do_get_inputs(self):
7835 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
7836 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
7838 def do_get_interactions(self):
7839 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
7840 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
7842 def do_get_contents_hash(self):
7843 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
7844 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
7847 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
7848 class _SingletonContainerAdaptor(_InputAdaptor):
7849 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
7851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7852 __repr__ = _swig_repr
7854 def __init__(self, *args):
7856 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
7857 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
7858 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
7860 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
7862 def set_name_if_default(self, name):
7863 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
7864 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
7865 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
7868 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
7870 r"""Proxy of C++ IMP::TripletModifier class."""
7872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7874 def __init__(self, *args):
7875 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
7876 if self.__class__ == TripletModifier:
7880 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
7882 if self.__class__ != TripletModifier:
7883 _director_objects.register(self)
7888 def apply_index(self, m, v):
7889 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
7890 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
7892 def apply_indexes(self, m, o, lower_bound, upper_bound):
7893 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7894 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7896 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7897 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)"""
7898 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7901 r"""__str__(TripletModifier self) -> std::string"""
7902 return _IMP_kernel.TripletModifier___str__(self)
7905 r"""__repr__(TripletModifier self) -> std::string"""
7906 return _IMP_kernel.TripletModifier___repr__(self)
7910 return _object_cast_to_TripletModifier(o)
7913 def do_show(self, out):
7918 return _object_cast_to_TripletModifier(o)
7920 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
7921 def __disown__(self):
7923 _IMP_kernel.disown_TripletModifier(self)
7924 return weakref.proxy(self)
7926 def do_get_inputs(self, m, pis):
7927 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7928 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
7930 def do_get_outputs(self, m, pis):
7931 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7932 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
7935 r"""do_destroy(TripletModifier self)"""
7936 return _IMP_kernel.TripletModifier_do_destroy(self)
7939 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
7941 r"""Proxy of C++ IMP::TripletScore class."""
7943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7945 def __init__(self, *args):
7946 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
7947 if self.__class__ == TripletScore:
7951 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
7953 if self.__class__ != TripletScore:
7954 _director_objects.register(self)
7959 def evaluate_index(self, m, vt, da):
7960 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
7961 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
7963 def check_indexes(self, m, pis):
7964 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7965 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
7967 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7968 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"""
7969 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7971 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7972 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"""
7973 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7975 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7976 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"""
7977 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7979 def evaluate_if_good_index(self, m, vt, da, max):
7980 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
7981 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
7983 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7984 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"""
7985 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7987 def create_current_decomposition(self, m, vt):
7988 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7989 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
7991 def do_create_current_decomposition(self, m, vt):
7992 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7993 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
7994 __swig_destroy__ = _IMP_kernel.delete_TripletScore
7997 r"""__str__(TripletScore self) -> std::string"""
7998 return _IMP_kernel.TripletScore___str__(self)
8001 r"""__repr__(TripletScore self) -> std::string"""
8002 return _IMP_kernel.TripletScore___repr__(self)
8006 return _object_cast_to_TripletScore(o)
8009 def do_show(self, out):
8014 return _object_cast_to_TripletScore(o)
8016 def __disown__(self):
8018 _IMP_kernel.disown_TripletScore(self)
8019 return weakref.proxy(self)
8021 def do_get_inputs(self, m, pis):
8022 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8023 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
8026 r"""do_destroy(TripletScore self)"""
8027 return _IMP_kernel.TripletScore_do_destroy(self)
8030 _IMP_kernel.TripletScore_swigregister(TripletScore)
8032 r"""Proxy of C++ IMP::TripletPredicate class."""
8034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8036 def __init__(self, *args):
8037 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
8038 if self.__class__ == TripletPredicate:
8042 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
8044 if self.__class__ != TripletPredicate:
8045 _director_objects.register(self)
8050 def setup_for_get_value_index_in_batch(self, arg0):
8051 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
8052 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
8054 def get_value_index_in_batch(self, m, vt):
8055 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8056 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
8058 def __call__(self, m, vt):
8059 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8060 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
8062 def get_value_index(self, *args):
8064 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
8065 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
8067 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
8068 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
8071 r"""__str__(TripletPredicate self) -> std::string"""
8072 return _IMP_kernel.TripletPredicate___str__(self)
8075 r"""__repr__(TripletPredicate self) -> std::string"""
8076 return _IMP_kernel.TripletPredicate___repr__(self)
8080 return _object_cast_to_TripletPredicate(o)
8083 def do_show(self, out):
8088 return _object_cast_to_TripletPredicate(o)
8090 def __disown__(self):
8092 _IMP_kernel.disown_TripletPredicate(self)
8093 return weakref.proxy(self)
8095 def do_get_inputs(self, m, pis):
8096 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8097 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
8100 r"""do_destroy(TripletPredicate self)"""
8101 return _IMP_kernel.TripletPredicate_do_destroy(self)
8104 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
8106 r"""Proxy of C++ IMP::TripletContainer class."""
8108 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8110 def apply_generic(self, m):
8111 r"""apply_generic(TripletContainer self, TripletModifier m)"""
8112 return _IMP_kernel.TripletContainer_apply_generic(self, m)
8114 def apply_generic_moved(self, m, moved_pis, reset_pis):
8115 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8116 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8118 def apply(self, sm):
8119 r"""apply(TripletContainer self, TripletModifier sm)"""
8120 return _IMP_kernel.TripletContainer_apply(self, sm)
8122 def apply_moved(self, sm, moved_pis, reset_pis):
8123 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8124 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
8126 def get_range_indexes(self):
8127 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8128 return _IMP_kernel.TripletContainer_get_range_indexes(self)
8130 def get_contents(self):
8131 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
8132 return _IMP_kernel.TripletContainer_get_contents(self)
8135 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8136 return _IMP_kernel.TripletContainer_get_indexes(self)
8138 def get(self, *args):
8140 get(TripletContainer self) -> IMP::ParticleTripletsTemp
8141 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
8143 return _IMP_kernel.TripletContainer_get(self, *args)
8145 def get_number(self):
8146 r"""get_number(TripletContainer self) -> unsigned int"""
8147 return _IMP_kernel.TripletContainer_get_number(self)
8149 def __init__(self, *args):
8151 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
8152 __init__(TripletContainer self) -> TripletContainer
8154 if self.__class__ == TripletContainer:
8158 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
8160 if self.__class__ != TripletContainer:
8161 _director_objects.register(self)
8166 def do_apply(self, sm):
8167 r"""do_apply(TripletContainer self, TripletModifier sm)"""
8168 return _IMP_kernel.TripletContainer_do_apply(self, sm)
8170 def do_apply_moved(self, sm, moved_pis, reset_pis):
8171 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8172 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8174 def do_get_provides_access(self):
8175 r"""do_get_provides_access(TripletContainer self) -> bool"""
8176 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
8177 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
8180 r"""__str__(TripletContainer self) -> std::string"""
8181 return _IMP_kernel.TripletContainer___str__(self)
8184 r"""__repr__(TripletContainer self) -> std::string"""
8185 return _IMP_kernel.TripletContainer___repr__(self)
8189 return _object_cast_to_TripletContainer(o)
8192 def do_show(self, out):
8197 return _object_cast_to_TripletContainer(o)
8199 def __disown__(self):
8201 _IMP_kernel.disown_TripletContainer(self)
8202 return weakref.proxy(self)
8205 r"""do_destroy(TripletContainer self)"""
8206 return _IMP_kernel.TripletContainer_do_destroy(self)
8208 def handle_set_has_required_score_states(self, arg0):
8209 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
8210 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
8212 def do_get_inputs(self):
8213 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
8214 return _IMP_kernel.TripletContainer_do_get_inputs(self)
8216 def do_get_interactions(self):
8217 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
8218 return _IMP_kernel.TripletContainer_do_get_interactions(self)
8220 def do_get_contents_hash(self):
8221 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
8222 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
8225 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
8226 class _TripletContainerAdaptor(_InputAdaptor):
8227 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
8229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8230 __repr__ = _swig_repr
8232 def __init__(self, *args):
8234 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
8235 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
8236 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
8238 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
8240 def set_name_if_default(self, name):
8241 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
8242 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
8243 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
8246 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
8249 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
8250 return _IMP_kernel.write_particles_to_buffer(particles, keys)
8253 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
8254 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
8257 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
8258 return _IMP_kernel.get_particles(m, ps)
8262 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
8263 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
8265 return _IMP_kernel.get_indexes(*args)
8266 class _ParticleIndexAdaptor(object):
8267 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
8269 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8270 __repr__ = _swig_repr
8272 def __init__(self, *args):
8274 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
8275 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
8276 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
8278 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
8279 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
8282 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
8283 class _ParticleIndexesAdaptor(_InputAdaptor):
8284 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
8286 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8287 __repr__ = _swig_repr
8289 def __init__(self, *args):
8291 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
8292 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
8293 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
8295 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
8296 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
8299 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
8300 class _ParticleIndexPairsAdaptor(object):
8301 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
8303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8304 __repr__ = _swig_repr
8306 def __init__(self, *args):
8308 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
8309 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
8310 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
8312 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
8313 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
8316 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
8318 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
8320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8322 def __init__(self, *args):
8324 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
8325 __init__(_ConstRestraint self) -> _ConstRestraint
8327 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
8329 def get_value(self):
8330 r"""get_value(_ConstRestraint self) -> double"""
8331 return _IMP_kernel._ConstRestraint_get_value(self)
8333 def do_create_decomposition(self):
8334 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
8335 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
8337 def do_get_inputs(self):
8338 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
8339 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
8342 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
8343 return _IMP_kernel._ConstRestraint_get_version_info(self)
8344 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
8347 r"""__str__(_ConstRestraint self) -> std::string"""
8348 return _IMP_kernel._ConstRestraint___str__(self)
8351 r"""__repr__(_ConstRestraint self) -> std::string"""
8352 return _IMP_kernel._ConstRestraint___repr__(self)
8356 return _object_cast_to__ConstRestraint(o)
8359 def _get_as_binary(self):
8360 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
8361 return _IMP_kernel._ConstRestraint__get_as_binary(self)
8363 def _set_from_binary(self, p):
8364 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
8365 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
8367 def __getstate__(self):
8368 p = self._get_as_binary()
8369 if len(self.__dict__) > 1:
8370 d = self.__dict__.copy()
8375 def __setstate__(self, p):
8376 if not hasattr(self,
'this'):
8378 if isinstance(p, tuple):
8380 self.__dict__.update(d)
8381 return self._set_from_binary(p)
8385 value = self.get_value()
8387 return self._wrap_jax(
lambda jm: value)
8391 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
8393 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
8395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8397 def __init__(self, *args):
8399 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
8400 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
8402 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
8404 def get_value(self):
8405 r"""get_value(_ConstSingletonScore self) -> double"""
8406 return _IMP_kernel._ConstSingletonScore_get_value(self)
8408 def do_get_inputs(self, arg2, arg3):
8409 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8410 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
8412 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8413 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"""
8414 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8416 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8417 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"""
8418 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8420 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8421 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"""
8422 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8424 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8425 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"""
8426 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8429 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
8430 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
8431 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
8434 r"""__str__(_ConstSingletonScore self) -> std::string"""
8435 return _IMP_kernel._ConstSingletonScore___str__(self)
8438 r"""__repr__(_ConstSingletonScore self) -> std::string"""
8439 return _IMP_kernel._ConstSingletonScore___repr__(self)
8443 return _object_cast_to__ConstSingletonScore(o)
8446 def _get_as_binary(self):
8447 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
8448 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
8450 def _set_from_binary(self, p):
8451 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
8452 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
8454 def __getstate__(self):
8455 p = self._get_as_binary()
8456 if len(self.__dict__) > 1:
8457 d = self.__dict__.copy()
8462 def __setstate__(self, p):
8463 if not hasattr(self,
'this'):
8465 if isinstance(p, tuple):
8467 self.__dict__.update(d)
8468 return self._set_from_binary(p)
8471 def _get_jax(self, m, indexes):
8472 value = self.get_value()
8474 return self._wrap_jax(m,
lambda jm: value)
8478 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
8480 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
8482 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8484 def __init__(self, *args):
8486 __init__(_ConstPairScore self, double v) -> _ConstPairScore
8487 __init__(_ConstPairScore self) -> _ConstPairScore
8489 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
8491 def get_value(self):
8492 r"""get_value(_ConstPairScore self) -> double"""
8493 return _IMP_kernel._ConstPairScore_get_value(self)
8495 def do_get_inputs(self, arg2, arg3):
8496 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8497 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
8499 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8500 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"""
8501 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8503 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8504 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"""
8505 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8507 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8508 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"""
8509 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8511 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8512 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"""
8513 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8516 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
8517 return _IMP_kernel._ConstPairScore_get_version_info(self)
8518 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
8521 r"""__str__(_ConstPairScore self) -> std::string"""
8522 return _IMP_kernel._ConstPairScore___str__(self)
8525 r"""__repr__(_ConstPairScore self) -> std::string"""
8526 return _IMP_kernel._ConstPairScore___repr__(self)
8530 return _object_cast_to__ConstPairScore(o)
8533 def _get_as_binary(self):
8534 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
8535 return _IMP_kernel._ConstPairScore__get_as_binary(self)
8537 def _set_from_binary(self, p):
8538 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
8539 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
8541 def __getstate__(self):
8542 p = self._get_as_binary()
8543 if len(self.__dict__) > 1:
8544 d = self.__dict__.copy()
8549 def __setstate__(self, p):
8550 if not hasattr(self,
'this'):
8552 if isinstance(p, tuple):
8554 self.__dict__.update(d)
8555 return self._set_from_binary(p)
8558 def _get_jax(self, m, indexes):
8559 value = self.get_value()
8561 return self._wrap_jax(m,
lambda jm: value)
8565 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
8567 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
8569 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8571 def __init__(self, *args):
8573 __init__(_TrivialDecorator self) -> _TrivialDecorator
8574 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
8575 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
8577 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
8579 def show(self, *args):
8580 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
8581 return _IMP_kernel._TrivialDecorator_show(self, *args)
8584 def setup_particle(*args):
8586 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
8587 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
8589 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
8592 def get_is_setup(*args):
8594 get_is_setup(_ParticleAdaptor p) -> bool
8595 get_is_setup(Model m, ParticleIndex pi) -> bool
8597 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
8601 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
8602 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8603 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8604 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8605 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8606 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
8607 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8608 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
8609 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8610 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8611 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8612 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8614 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
8616 def get_value(self, *args):
8618 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
8619 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
8620 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
8621 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
8622 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
8623 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
8624 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
8625 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
8626 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
8627 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
8628 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8630 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
8632 def set_value(self, *args):
8634 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8635 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8636 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8637 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8638 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
8639 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8640 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
8641 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8642 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8643 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8644 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8646 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
8650 remove_attribute(_TrivialDecorator self, FloatKey a0)
8651 remove_attribute(_TrivialDecorator self, IntKey a0)
8652 remove_attribute(_TrivialDecorator self, FloatsKey a0)
8653 remove_attribute(_TrivialDecorator self, IntsKey a0)
8654 remove_attribute(_TrivialDecorator self, StringKey a0)
8655 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
8656 remove_attribute(_TrivialDecorator self, ObjectKey a0)
8657 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
8658 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
8659 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
8660 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
8662 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
8664 def has_attribute(self, *args):
8666 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
8667 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
8668 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
8669 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
8670 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
8671 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
8672 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
8673 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
8674 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
8675 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
8676 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
8678 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
8680 def get_derivative(self, a0):
8681 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
8682 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
8685 r"""get_name(_TrivialDecorator self) -> std::string"""
8686 return _IMP_kernel._TrivialDecorator_get_name(self)
8689 r"""clear_caches(_TrivialDecorator self)"""
8690 return _IMP_kernel._TrivialDecorator_clear_caches(self)
8692 def set_name(self, a0):
8693 r"""set_name(_TrivialDecorator self, std::string a0)"""
8694 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
8697 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
8698 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
8700 def add_to_derivative(self, a0, a1, a2):
8701 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8702 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
8705 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
8706 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
8708 def get_is_optimized(self, a0):
8709 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
8710 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
8712 def get_check_level(self):
8713 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
8714 return _IMP_kernel._TrivialDecorator_get_check_level(self)
8716 def __eq__(self, *args):
8718 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8719 __eq__(_TrivialDecorator self, Particle d) -> bool
8721 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
8723 def __ne__(self, *args):
8725 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8726 __ne__(_TrivialDecorator self, Particle d) -> bool
8728 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
8730 def __le__(self, *args):
8732 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8733 __le__(_TrivialDecorator self, Particle d) -> bool
8735 return _IMP_kernel._TrivialDecorator___le__(self, *args)
8737 def __lt__(self, *args):
8739 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8740 __lt__(_TrivialDecorator self, Particle d) -> bool
8742 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
8744 def __ge__(self, *args):
8746 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8747 __ge__(_TrivialDecorator self, Particle d) -> bool
8749 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
8751 def __gt__(self, *args):
8753 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8754 __gt__(_TrivialDecorator self, Particle d) -> bool
8756 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
8759 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
8760 return _IMP_kernel._TrivialDecorator___hash__(self)
8763 r"""__str__(_TrivialDecorator self) -> std::string"""
8764 return _IMP_kernel._TrivialDecorator___str__(self)
8767 r"""__repr__(_TrivialDecorator self) -> std::string"""
8768 return _IMP_kernel._TrivialDecorator___repr__(self)
8770 def _get_as_binary(self):
8771 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
8772 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
8774 def _set_from_binary(self, p):
8775 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
8776 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
8778 def __getstate__(self):
8779 p = self._get_as_binary()
8780 if len(self.__dict__) > 1:
8781 d = self.__dict__.copy()
8786 def __setstate__(self, p):
8787 if not hasattr(self,
'this'):
8789 if isinstance(p, tuple):
8791 self.__dict__.update(d)
8792 return self._set_from_binary(p)
8794 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
8797 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
8798 class _TrivialDerivedDecorator(_TrivialDecorator):
8799 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
8801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8803 def __init__(self, *args):
8805 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
8806 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
8807 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
8809 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
8811 def show(self, *args):
8812 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
8813 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
8816 def setup_particle(*args):
8818 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
8819 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
8821 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
8824 def get_is_setup(*args):
8826 get_is_setup(_ParticleAdaptor p) -> bool
8827 get_is_setup(Model m, ParticleIndex pi) -> bool
8829 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
8833 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
8834 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8835 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8836 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8837 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8838 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8839 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8840 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8841 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8842 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8843 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8844 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8846 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
8848 def get_value(self, *args):
8850 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
8851 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
8852 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
8853 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
8854 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
8855 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
8856 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
8857 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
8858 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
8859 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
8860 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8862 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
8864 def set_value(self, *args):
8866 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8867 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8868 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8869 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8870 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8871 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8872 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8873 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8874 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8875 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8876 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8878 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
8882 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
8883 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
8884 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
8885 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
8886 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
8887 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
8888 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
8889 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
8890 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
8891 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
8892 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
8894 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
8896 def has_attribute(self, *args):
8898 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
8899 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
8900 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
8901 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
8902 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
8903 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
8904 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
8905 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
8906 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
8907 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
8908 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
8910 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
8912 def get_derivative(self, a0):
8913 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
8914 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
8917 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
8918 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
8921 r"""clear_caches(_TrivialDerivedDecorator self)"""
8922 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
8924 def set_name(self, a0):
8925 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
8926 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
8929 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
8930 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
8932 def add_to_derivative(self, a0, a1, a2):
8933 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8934 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
8937 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
8938 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
8940 def get_is_optimized(self, a0):
8941 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
8942 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
8944 def get_check_level(self):
8945 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
8946 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
8948 def __eq__(self, *args):
8950 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8951 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
8953 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
8955 def __ne__(self, *args):
8957 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8958 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
8960 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
8962 def __le__(self, *args):
8964 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8965 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
8967 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
8969 def __lt__(self, *args):
8971 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8972 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
8974 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
8976 def __ge__(self, *args):
8978 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8979 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
8981 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
8983 def __gt__(self, *args):
8985 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8986 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
8988 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
8991 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
8992 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
8995 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
8996 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
8999 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
9000 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
9002 def _get_as_binary(self):
9003 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
9004 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
9006 def _set_from_binary(self, p):
9007 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
9008 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
9010 def __getstate__(self):
9011 p = self._get_as_binary()
9012 if len(self.__dict__) > 1:
9013 d = self.__dict__.copy()
9018 def __setstate__(self, p):
9019 if not hasattr(self,
'this'):
9021 if isinstance(p, tuple):
9023 self.__dict__.update(d)
9024 return self._set_from_binary(p)
9026 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
9029 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
9030 class _TrivialTraitsDecorator(
Decorator):
9031 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
9033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9035 def get_decorator_traits(self):
9036 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
9037 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
9040 def get_default_decorator_traits():
9041 r"""get_default_decorator_traits() -> StringKey"""
9042 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
9044 def __init__(self, *args):
9046 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
9047 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9048 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9050 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
9052 def show(self, *args):
9053 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
9054 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
9057 def setup_particle(*args):
9059 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9060 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9062 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
9065 def get_is_setup(*args):
9067 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
9068 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
9070 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
9073 def get_default_key():
9074 r"""get_default_key() -> StringKey"""
9075 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
9079 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
9080 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9081 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9082 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9083 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9084 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9085 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9086 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9087 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9088 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9089 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9090 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9092 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
9094 def get_value(self, *args):
9096 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
9097 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
9098 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
9099 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
9100 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
9101 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
9102 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
9103 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
9104 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
9105 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
9106 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9108 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
9110 def set_value(self, *args):
9112 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9113 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9114 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9115 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9116 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9117 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9118 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9119 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9120 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9121 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9122 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9124 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
9128 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
9129 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
9130 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
9131 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
9132 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
9133 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
9134 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
9135 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
9136 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
9137 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
9138 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
9140 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
9142 def has_attribute(self, *args):
9144 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
9145 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
9146 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
9147 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
9148 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
9149 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
9150 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
9151 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
9152 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
9153 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
9154 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
9156 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
9158 def get_derivative(self, a0):
9159 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
9160 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
9163 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
9164 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
9167 r"""clear_caches(_TrivialTraitsDecorator self)"""
9168 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
9170 def set_name(self, a0):
9171 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
9172 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
9175 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
9176 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
9178 def add_to_derivative(self, a0, a1, a2):
9179 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9180 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
9183 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
9184 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
9186 def get_is_optimized(self, a0):
9187 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
9188 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
9190 def get_check_level(self):
9191 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
9192 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
9194 def __eq__(self, *args):
9196 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9197 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
9199 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
9201 def __ne__(self, *args):
9203 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9204 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
9206 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
9208 def __le__(self, *args):
9210 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9211 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
9213 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
9215 def __lt__(self, *args):
9217 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9218 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
9220 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
9222 def __ge__(self, *args):
9224 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9225 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
9227 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
9229 def __gt__(self, *args):
9231 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9232 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
9234 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
9237 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
9238 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
9241 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
9242 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
9245 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
9246 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
9247 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
9250 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
9252 def __lshift__(*args):
9254 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
9255 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
9256 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
9258 return _IMP_kernel.__lshift__(*args)
9260 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
9262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9264 def __init__(self, *args):
9266 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
9267 __init__(_ConstOptimizer self) -> _ConstOptimizer
9269 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
9271 def do_optimize(self, max_steps):
9272 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
9273 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
9276 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
9277 return _IMP_kernel._ConstOptimizer_get_version_info(self)
9278 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
9281 r"""__str__(_ConstOptimizer self) -> std::string"""
9282 return _IMP_kernel._ConstOptimizer___str__(self)
9285 r"""__repr__(_ConstOptimizer self) -> std::string"""
9286 return _IMP_kernel._ConstOptimizer___repr__(self)
9290 return _object_cast_to__ConstOptimizer(o)
9293 def _get_as_binary(self):
9294 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
9295 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
9297 def _set_from_binary(self, p):
9298 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
9299 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
9301 def __getstate__(self):
9302 p = self._get_as_binary()
9303 if len(self.__dict__) > 1:
9304 d = self.__dict__.copy()
9309 def __setstate__(self, p):
9310 if not hasattr(self,
'this'):
9312 if isinstance(p, tuple):
9314 self.__dict__.update(d)
9315 return self._set_from_binary(p)
9319 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
9322 r"""get_particle(Particle p) -> Particle"""
9323 return _IMP_kernel.get_particle(p)
9325 def _decorator_test(p):
9326 r"""_decorator_test(Particle p)"""
9327 return _IMP_kernel._decorator_test(p)
9329 def _overloaded_decorator(*args):
9331 _overloaded_decorator(_TrivialDecorator a) -> int
9332 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
9334 return _IMP_kernel._overloaded_decorator(*args)
9336 def _take_particles(*args):
9338 _take_particles(IMP::Particles const & ps) -> unsigned int
9339 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
9340 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
9342 return _IMP_kernel._take_particles(*args)
9344 def _give_particles(m):
9345 r"""_give_particles(Model m) -> IMP::Particles const &"""
9346 return _IMP_kernel._give_particles(m)
9348 def _pass_particles(ps):
9349 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
9350 return _IMP_kernel._pass_particles(ps)
9352 def _pass_particle(ps):
9353 r"""_pass_particle(Particle ps) -> Particle"""
9354 return _IMP_kernel._pass_particle(ps)
9356 def _pass_particle_pair(pp):
9357 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
9358 return _IMP_kernel._pass_particle_pair(pp)
9360 def _give_particles_copy(m):
9361 r"""_give_particles_copy(Model m) -> IMP::Particles"""
9362 return _IMP_kernel._give_particles_copy(m)
9364 def _pass_float_keys(input):
9365 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
9366 return _IMP_kernel._pass_float_keys(input)
9370 _pass(IMP::Particles const & p) -> IMP::Particles const
9371 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
9373 return _IMP_kernel._pass(*args)
9375 def _pass_decorators(p):
9376 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
9377 return _IMP_kernel._pass_decorators(p)
9379 def _pass_decorator_traits(p):
9380 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
9381 return _IMP_kernel._pass_decorator_traits(p)
9383 def _pass_particle_pairs(p):
9384 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
9385 return _IMP_kernel._pass_particle_pairs(p)
9387 def _pass_particle_index_pairs(p):
9388 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
9389 return _IMP_kernel._pass_particle_index_pairs(p)
9391 def _pass_model_objects(p):
9392 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
9393 return _IMP_kernel._pass_model_objects(p)
9395 def _pass_particles_temps(ps):
9396 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
9397 return _IMP_kernel._pass_particles_temps(ps)
9399 def _test_overload(*args):
9401 _test_overload(IMP::Particles const & ps) -> int
9402 _test_overload(IMP::Restraints const & ps) -> int
9404 return _IMP_kernel._test_overload(*args)
9406 def _get_range(m, k):
9407 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
9408 return _IMP_kernel._get_range(m, k)
9410 def _create_particles_from_pdb(name, m):
9411 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
9412 return _IMP_kernel._create_particles_from_pdb(name, m)
9414 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
9416 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9417 __repr__ = _swig_repr
9420 r"""__init__(_LogPairScore self) -> _LogPairScore"""
9421 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
9423 def do_get_inputs(self, arg2, arg3):
9424 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9425 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
9427 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9428 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"""
9429 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9431 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9432 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"""
9433 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9435 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9436 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"""
9437 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9439 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9440 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"""
9441 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9444 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
9445 return _IMP_kernel._LogPairScore_get_version_info(self)
9446 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
9448 def get_particle_pairs(self):
9449 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
9450 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
9453 r"""clear(_LogPairScore self)"""
9454 return _IMP_kernel._LogPairScore_clear(self)
9456 def get_contains(self, pp):
9457 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
9458 return _IMP_kernel._LogPairScore_get_contains(self, pp)
9461 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
9463 def _overloaded_particles(*args):
9465 _overloaded_particles(Particle arg1)
9466 _overloaded_particles(IMP::Particles const & arg1)
9467 _overloaded_particles(IMP::ParticlesTemp const & arg1)
9468 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
9469 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
9470 _overloaded_particles(_TrivialDecorator arg1)
9472 return _IMP_kernel._overloaded_particles(*args)
9473 class _ImplicitParticles(object):
9474 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
9476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9477 __repr__ = _swig_repr
9479 def __init__(self, *args):
9481 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
9482 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
9483 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
9484 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
9485 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
9486 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
9488 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
9489 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
9492 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
9494 def _implicit_particles(arg1):
9495 r"""_implicit_particles(_ImplicitParticles arg1)"""
9496 return _IMP_kernel._implicit_particles(arg1)
9498 def _take_particle_adaptor(pa):
9499 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
9500 return _IMP_kernel._take_particle_adaptor(pa)
9502 def _take_particle_indexes_adaptor(pa):
9503 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
9504 return _IMP_kernel._take_particle_indexes_adaptor(pa)
9506 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
9508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9509 __repr__ = _swig_repr
9511 def __init__(self, *args):
9513 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
9514 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
9516 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
9518 def do_add_score_and_derivatives(self, sa, ss):
9519 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9520 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9522 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9523 r"""do_add_score_and_derivatives_moved(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
9524 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9526 def do_get_inputs(self):
9527 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9528 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
9530 def get_restraints(self):
9531 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
9532 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
9534 def set_restraints(self, s):
9535 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
9536 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
9538 def get_number_of_restraints(self):
9539 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
9540 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
9542 def clear_restraints(self):
9543 r"""clear_restraints(_RestraintsScoringFunction self)"""
9544 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
9546 def get_restraint(self, i):
9547 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9548 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
9550 def erase_restraint(self, i):
9551 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
9552 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
9555 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
9556 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
9559 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
9560 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
9562 def _python_index_restraint(self, r, start, stop):
9563 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9564 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9567 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
9568 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
9569 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
9573 return _object_cast_to__RestraintsScoringFunction(o)
9576 def __get_restraints(self):
9577 return _list_util.VarList(
9578 getdimfunc=self.get_number_of_restraints,
9579 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
9580 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
9581 clearfunc=self.clear_restraints,
9582 indexfunc=self._python_index_restraint)
9584 def __set_restraints(self, obj):
9585 _list_util.set_varlist(self.restraints, obj)
9587 def __del_restraints(self):
9588 _list_util.del_varlist(self.restraints)
9590 restraints = property(__get_restraints, __set_restraints,
9591 __del_restraints, doc=
"List of Restraints")
9595 import IMP._jax_util
9596 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9597 funcs = [j.score_func
for j
in jis]
9598 keys = frozenset(x
for j
in jis
for x
in j._keys)
9600 return sum(f(jm)
for f
in funcs)
9601 return IMP._jax_util.JAXRestraintInfo(
9602 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9606 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
9608 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
9610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9612 def __init__(self, *args):
9614 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
9615 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
9617 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
9619 def set(self, p, key, value):
9620 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
9621 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
9624 r"""reset(ScopedSetFloatAttribute self)"""
9625 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
9626 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
9628 def show(self, *args):
9629 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
9630 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
9633 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
9634 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
9637 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
9638 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
9641 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
9643 def _get_module_data_path(module, file_name):
9644 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
9645 return _IMP_kernel._get_module_data_path(module, file_name)
9647 def _get_module_example_path(module, file_name):
9648 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
9649 return _IMP_kernel._get_module_example_path(module, file_name)
9658 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
9659 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
9660 pathcomps = os.environ[
'PATH'].split(
";")
9662 if d
not in pathcomps:
9663 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
9671 """Allow command line tools to easily implement multiple commands.
9672 Typically, an IMP command line tool will use an instance of this class
9673 to provide a consistent interface to multiple distinct commands
9674 from a single binary, rather than providing a potentially large
9675 number of binaries. This is similar to the way a number of common
9676 command line tools outside of IMP function (e.g. Git provides a single
9677 `git` tool which implements multiple commands - `git add`, `git commit`,
9678 `git push` and so on).
9680 Each command is implemented with a Python module of the same name
9681 that can be imported from the module (for example, if `module_name`
9682 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
9683 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
9684 Each such module should have a docstring and a `%main()` method
9685 that takes no arguments (the module should also call its `%main()` method
9686 if it is run directly, i.e. with something like
9687 `if __name__=="__main__": %main()`). The encompassing module
9688 (`IMP.foo` in the example) should define `_all_commands` as a Python
9689 list of all valid commands.
9691 See the `multifit` and `cnmultifit` command line tools for example
9695 def __init__(self, short_help, long_help, module_name):
9697 @param short_help A few words that describe the command line tool.
9698 @param long_help Longer text, used in the `help` command.
9699 @param module_name Name of the module (e.g. `IMP.foo`) that
9700 implements the commands.
9702 self.short_help = short_help
9703 self.long_help = long_help
9704 self.module_name = module_name
9705 self._all_commands = self.import_module()._all_commands
9706 self._progname = os.path.basename(sys.argv[0])
9709 """Call this method to act upon the user-provided command line"""
9710 if len(sys.argv) <= 1:
9711 print(self.short_help +
" Use '%s help' for help." % self._progname)
9713 command = sys.argv[1]
9714 if command
in (
'help',
'--help',
'-h'):
9715 if len(sys.argv) == 3:
9716 self.show_command_help(sys.argv[2])
9719 elif command ==
'--version':
9721 elif command
in self._all_commands:
9722 self.do_command(command)
9724 self.unknown_command(command)
9726 def import_module(self, mod=None):
9727 modname = self.module_name
9729 modname +=
"." + mod
9730 return __import__(modname, {}, {}, [
''])
9732 def unknown_command(self, command):
9733 print(
"Unknown command: '%s'" % command)
9734 print(
"Use '%s help' for help." % self._progname)
9737 def _get_version(self):
9740 def show_version(self):
9741 print(self._progname +
' ' + self._get_version())
9743 def show_help(self):
9744 ver = self._get_version()
9745 print(
"%s, version %s." % (self._progname, ver))
9746 print(self.long_help +
"""
9748 This program is part of IMP, the Integrative Modeling Platform,
9750 For additional information about IMP, see <https://integrativemodeling.org>.
9752 Usage: %s <command> [options] [args]
9755 commands = self._all_commands[:] + [
'help']
9757 cmdlen = max([len(c)
for c
in commands])
9760 doc =
'Get help on using %s.' % self._progname
9762 doc = self.import_module(c).__doc__
or "<no help>"
9763 c +=
' ' * (cmdlen - len(c))
9764 print(
' ' + c +
' ' + doc)
9766 Use "%s help <command>" for detailed help on any command
9767 or "%s --version" to see the version number.""" % (self._progname,
9770 def do_command(self, command):
9771 mod = self.import_module(command)
9772 sys.argv[0] = self._progname +
' ' + command
9776 def show_command_help(self, command):
9777 if command ==
'help':
9779 elif command
in self._all_commands
or command ==
'help':
9780 mod = self.import_module(command)
9781 sys.argv = [self._progname +
' ' + command,
'--help']
9784 self.unknown_command(command)
9791 g = networkx.DiGraph()
9792 if len(ig.get_vertices()) == 0:
9801 return self.p.get_name()
9803 def __call__(self, name):
9804 return self.p.__call__(name)
9806 for vi
in ig.get_vertices():
9807 n = ig.get_vertex_name(vi)
9808 g.add_node(NodeWrapper(n))
9809 for vi
in ig.get_vertices():
9810 n = ig.get_vertex_name(vi)
9811 for ni
in ig.get_out_neighbors(vi):
9812 nn = ig.get_vertex_name(ni)
9813 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
9820 n0 = name.get_name()
9823 n1 = str(n0).replace(
'"',
'')
9824 n2 = n1.replace(
"\n",
'')
9827 from altgraph
import Graph, Dot
9828 graph = Graph.Graph()
9829 for i, v
in enumerate(g.get_vertices()):
9831 for i, v
in enumerate(g.get_vertices()):
9832 for n
in g.get_out_neighbors(v):
9833 graph.add_edge(v, n)
9834 dot = Dot.Dot(graph)
9835 for i, v
in enumerate(g.get_vertices()):
9836 dot.node_style(i, label=clean(g.get_vertex_name(v)))
9844 st = g.get_graphviz_string()
9845 with open(tfn,
"w")
as fh:
9848 print(
"running dot")
9849 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
9853 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")
9856 if platform.system() ==
"Darwin":
9859 cmd = [
"gv",
"acroread",
"xpdf"]
9862 print(
"launching viewer " + c)
9864 subprocess.check_call([c, tfon])
9870 print(
"Could not display file. It is saved at " + tfon)
9880 """Mark a Python module as deprecated.
9881 @note The `module` argument would normally be `__name__`.
9882 @see [deprecation support](@ref deprecation)."""
9884 "Module %s is deprecated. %s\n" % (module, help_message))
9887 """Python decorator to mark a class as deprecated.
9888 @see [deprecation support](@ref deprecation)."""
9890 orig_init = obj.__init__
9893 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
9894 def __init__(obj, *args, **keys):
9896 % (type(obj), help_message))
9897 orig_init(obj, *args, **keys)
9898 obj.__init__ = __init__
9903 """Python decorator to mark a method as deprecated.
9904 @see [deprecation support](@ref deprecation)."""
9905 def out_wrapper(obj):
9906 @functools.wraps(obj)
9907 def wrapper(cls, *args, **keys):
9909 % (obj.__name__, type(cls), help_message))
9910 return obj(cls, *args, **keys)
9915 """Python decorator to mark a function as deprecated.
9916 @see [deprecation support](@ref deprecation)."""
9917 def out_wrapper(obj):
9918 @functools.wraps(obj)
9919 def wrapper(*args, **keys):
9921 % (obj.__name__, help_message))
9922 return obj(*args, **keys)
9926 @contextlib.contextmanager
9928 """Context manager to temporarily allow (or disallow) deprecated code.
9929 @see [deprecation support](@ref deprecation)."""
9936 def _get_all_flags(ntokens):
9937 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
9938 return _IMP_kernel._get_all_flags(ntokens)
9940 def _print_internal_help(out, description):
9941 r"""_print_internal_help(_ostream out, std::string description)"""
9942 return _IMP_kernel._print_internal_help(out, description)
9948 class _PassThroughAction(argparse.Action):
9949 """Pass an argument through to the IMP Boost parser"""
9950 def __call__(self, parser, namespace, values, option_string=None):
9951 parser._boost_command_line.append(option_string)
9953 parser._boost_command_line.append(values)
9956 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
9957 parser._handle_boost()
9961 """IMP-specific subclass of argparse.ArgumentParser.
9962 This adds options common to all IMP applications
9963 (see IMP::setup_from_argv()).
9966 def __init__(self, *args, **kwargs):
9968 kwargs[
'add_help'] =
False
9969 super().__init__(*args, **kwargs)
9970 for ntoken
in (0, 1):
9971 flags = _get_all_flags(ntoken)
9973 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
9974 self.add_argument(*arg, help=argparse.SUPPRESS,
9975 nargs=
None if ntoken
else 0,
9976 action=_PassThroughAction,
9977 default=argparse.SUPPRESS)
9980 """Parse the command line and return optional and positional arguments.
9981 This functions in the same way as the method in the base class
9982 argparse.ArgumentParser, except that it also processes optional
9983 arguments common to all IMP applications (these are not returned
9984 in `args`, but can be obtained in the usual way, e.g. by calling
9985 IMP::get_string_flag()).
9988 self._boost_command_line = [sys.argv[0]]
9990 if len(self._boost_command_line) > 1:
9991 self._handle_boost()
9994 def _get_description(self):
9995 return self.format_help() +
"\nOptions common to all IMP applications:"
9997 def print_help(self, file=None):
9998 _print_internal_help(file
if file
else sys.stdout,
9999 self._get_description())
10001 def _handle_boost(self):
10003 self._get_description(),
10006 class RandomNumberGenerator(object):
10007 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
10009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10010 __repr__ = _swig_repr
10013 r"""seed(RandomNumberGenerator self, int x)"""
10014 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
10016 def __call__(self):
10017 r"""__call__(RandomNumberGenerator self) -> int"""
10018 return _IMP_kernel.RandomNumberGenerator___call__(self)
10020 def __init__(self):
10021 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
10022 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
10023 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
10026 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
10030 get_random_float_uniform() -> float
10031 get_random_float_uniform(float min, float max) -> float
10033 return _IMP_kernel.get_random_float_uniform(*args)
10037 get_random_double_uniform() -> double
10038 get_random_double_uniform(double min, double max) -> double
10040 return _IMP_kernel.get_random_double_uniform(*args)
10042 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
10043 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
10044 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
10046 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
10047 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
10048 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
10050 def get_random_floats_uniform(n):
10051 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
10052 return _IMP_kernel.get_random_floats_uniform(n)
10054 def get_random_doubles_uniform(n):
10055 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
10056 return _IMP_kernel.get_random_doubles_uniform(n)
10059 r"""get_random_seed() -> boost::uint64_t"""
10060 return _IMP_kernel.get_random_seed()
10062 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
10063 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10064 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
10066 def _get_floats_numpy(m, k, m_pyobj, read_only):
10067 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10068 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
10070 def _get_ints_numpy(m, k, m_pyobj, read_only):
10071 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10072 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
10074 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
10075 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10076 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
10078 def _get_spheres_numpy(m, m_pyobj, read_only):
10079 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10080 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
10082 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
10083 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10084 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
10086 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
10087 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10088 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
10090 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
10091 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10092 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
10096 ParticleIndex = numpy.intc
10097 except ImportError:
10102 """Warning for incomplete JAX support or different behavior of JAX code"""
10106 def get_module_name():
10107 r"""get_module_name() -> std::string const"""
10108 return _IMP_kernel.get_module_name()
10111 r"""get_module_version() -> std::string const"""
10112 return _IMP_kernel.get_module_version()
10115 r"""get_example_path(std::string fname) -> std::string"""
10116 return _IMP_kernel.get_example_path(fname)
10119 r"""get_data_path(std::string fname) -> std::string"""
10120 return _IMP_kernel.get_data_path(fname)
10122 from .
import _version_check
10127 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.
Represents a scoring function on the model.
void set_log_timer(bool tb)
Set whether log messages are tagged with the current log time.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
DependencyGraph get_pruned_dependency_graph(Model *m)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Warning for incomplete JAX support or different behavior of JAX code.
Object(std::string name)
Construct an object with the given name.
Array< 2, WeakPointer< Particle >, Particle * > ParticlePair
Key< 5 > IntsKey
The type used to identify int attributes in the Particles.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Abstract predicate function.
Abstract class to implement hierarchical methods.
A base class for modifiers of ParticleTripletsTemp.
std::string show_graphviz(Graph g)
void set_check_level(CheckLevel l)
std::string get_string_flag(std::string name)
networkx::DiGraph get_networkx_graph(Graph g)
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.