mirror of
https://github.com/openbabel/openbabel.git
synced 2025-02-25 18:55:23 -06:00
3170 lines
199 KiB
Python
3170 lines
199 KiB
Python
import sys
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if sys.platform.find("linux") != -1:
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import dl
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sys.setdlopenflags(sys.getdlopenflags() | dl.RTLD_GLOBAL)
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# This file was automatically generated by SWIG (http://www.swig.org).
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# Version 1.3.31
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#
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# Don't modify this file, modify the SWIG interface instead.
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import _openbabel
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import new
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new_instancemethod = new.instancemethod
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try:
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_swig_property = property
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except NameError:
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pass # Python < 2.2 doesn't have 'property'.
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def _swig_setattr_nondynamic(self,class_type,name,value,static=1):
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if (name == "thisown"): return self.this.own(value)
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if (name == "this"):
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if type(value).__name__ == 'PySwigObject':
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self.__dict__[name] = value
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return
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method = class_type.__swig_setmethods__.get(name,None)
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if method: return method(self,value)
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if (not static) or hasattr(self,name):
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self.__dict__[name] = value
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else:
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raise AttributeError("You cannot add attributes to %s" % self)
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def _swig_setattr(self,class_type,name,value):
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return _swig_setattr_nondynamic(self,class_type,name,value,0)
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def _swig_getattr(self,class_type,name):
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if (name == "thisown"): return self.this.own()
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method = class_type.__swig_getmethods__.get(name,None)
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if method: return method(self)
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raise AttributeError,name
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def _swig_repr(self):
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try: strthis = "proxy of " + self.this.__repr__()
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except: strthis = ""
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return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
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import types
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try:
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_object = types.ObjectType
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_newclass = 1
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except AttributeError:
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class _object : pass
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_newclass = 0
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del types
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def _swig_setattr_nondynamic_method(set):
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def set_attr(self,name,value):
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if (name == "thisown"): return self.this.own(value)
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if hasattr(self,name) or (name == "this"):
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set(self,name,value)
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else:
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raise AttributeError("You cannot add attributes to %s" % self)
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return set_attr
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class PySwigIterator(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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def __init__(self): raise AttributeError, "No constructor defined"
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__repr__ = _swig_repr
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__swig_destroy__ = _openbabel.delete_PySwigIterator
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__del__ = lambda self : None;
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def value(*args): return _openbabel.PySwigIterator_value(*args)
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def incr(*args): return _openbabel.PySwigIterator_incr(*args)
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def decr(*args): return _openbabel.PySwigIterator_decr(*args)
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def distance(*args): return _openbabel.PySwigIterator_distance(*args)
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def equal(*args): return _openbabel.PySwigIterator_equal(*args)
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def copy(*args): return _openbabel.PySwigIterator_copy(*args)
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def next(*args): return _openbabel.PySwigIterator_next(*args)
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def previous(*args): return _openbabel.PySwigIterator_previous(*args)
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def advance(*args): return _openbabel.PySwigIterator_advance(*args)
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def __eq__(*args): return _openbabel.PySwigIterator___eq__(*args)
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def __ne__(*args): return _openbabel.PySwigIterator___ne__(*args)
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def __iadd__(*args): return _openbabel.PySwigIterator___iadd__(*args)
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def __isub__(*args): return _openbabel.PySwigIterator___isub__(*args)
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def __add__(*args): return _openbabel.PySwigIterator___add__(*args)
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def __sub__(*args): return _openbabel.PySwigIterator___sub__(*args)
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def __iter__(self): return self
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PySwigIterator_swigregister = _openbabel.PySwigIterator_swigregister
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PySwigIterator_swigregister(PySwigIterator)
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class vectorInt(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vectorInt_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vectorInt___nonzero__(*args)
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def __len__(*args): return _openbabel.vectorInt___len__(*args)
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def pop(*args): return _openbabel.vectorInt_pop(*args)
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def __getslice__(*args): return _openbabel.vectorInt___getslice__(*args)
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def __setslice__(*args): return _openbabel.vectorInt___setslice__(*args)
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def __delslice__(*args): return _openbabel.vectorInt___delslice__(*args)
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def __delitem__(*args): return _openbabel.vectorInt___delitem__(*args)
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def __getitem__(*args): return _openbabel.vectorInt___getitem__(*args)
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def __setitem__(*args): return _openbabel.vectorInt___setitem__(*args)
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def append(*args): return _openbabel.vectorInt_append(*args)
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def empty(*args): return _openbabel.vectorInt_empty(*args)
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def size(*args): return _openbabel.vectorInt_size(*args)
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def clear(*args): return _openbabel.vectorInt_clear(*args)
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def swap(*args): return _openbabel.vectorInt_swap(*args)
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def get_allocator(*args): return _openbabel.vectorInt_get_allocator(*args)
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def begin(*args): return _openbabel.vectorInt_begin(*args)
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def end(*args): return _openbabel.vectorInt_end(*args)
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def rbegin(*args): return _openbabel.vectorInt_rbegin(*args)
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def rend(*args): return _openbabel.vectorInt_rend(*args)
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def pop_back(*args): return _openbabel.vectorInt_pop_back(*args)
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def erase(*args): return _openbabel.vectorInt_erase(*args)
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def __init__(self, *args):
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_openbabel.vectorInt_swiginit(self,_openbabel.new_vectorInt(*args))
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def push_back(*args): return _openbabel.vectorInt_push_back(*args)
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def front(*args): return _openbabel.vectorInt_front(*args)
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def back(*args): return _openbabel.vectorInt_back(*args)
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def assign(*args): return _openbabel.vectorInt_assign(*args)
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def resize(*args): return _openbabel.vectorInt_resize(*args)
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def insert(*args): return _openbabel.vectorInt_insert(*args)
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def reserve(*args): return _openbabel.vectorInt_reserve(*args)
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def capacity(*args): return _openbabel.vectorInt_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vectorInt
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__del__ = lambda self : None;
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vectorInt_swigregister = _openbabel.vectorInt_swigregister
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vectorInt_swigregister(vectorInt)
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class vectorUnsignedInt(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vectorUnsignedInt_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vectorUnsignedInt___nonzero__(*args)
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def __len__(*args): return _openbabel.vectorUnsignedInt___len__(*args)
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def pop(*args): return _openbabel.vectorUnsignedInt_pop(*args)
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def __getslice__(*args): return _openbabel.vectorUnsignedInt___getslice__(*args)
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def __setslice__(*args): return _openbabel.vectorUnsignedInt___setslice__(*args)
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def __delslice__(*args): return _openbabel.vectorUnsignedInt___delslice__(*args)
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def __delitem__(*args): return _openbabel.vectorUnsignedInt___delitem__(*args)
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def __getitem__(*args): return _openbabel.vectorUnsignedInt___getitem__(*args)
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def __setitem__(*args): return _openbabel.vectorUnsignedInt___setitem__(*args)
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def append(*args): return _openbabel.vectorUnsignedInt_append(*args)
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def empty(*args): return _openbabel.vectorUnsignedInt_empty(*args)
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def size(*args): return _openbabel.vectorUnsignedInt_size(*args)
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def clear(*args): return _openbabel.vectorUnsignedInt_clear(*args)
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def swap(*args): return _openbabel.vectorUnsignedInt_swap(*args)
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def get_allocator(*args): return _openbabel.vectorUnsignedInt_get_allocator(*args)
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def begin(*args): return _openbabel.vectorUnsignedInt_begin(*args)
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def end(*args): return _openbabel.vectorUnsignedInt_end(*args)
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def rbegin(*args): return _openbabel.vectorUnsignedInt_rbegin(*args)
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def rend(*args): return _openbabel.vectorUnsignedInt_rend(*args)
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def pop_back(*args): return _openbabel.vectorUnsignedInt_pop_back(*args)
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def erase(*args): return _openbabel.vectorUnsignedInt_erase(*args)
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def __init__(self, *args):
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_openbabel.vectorUnsignedInt_swiginit(self,_openbabel.new_vectorUnsignedInt(*args))
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def push_back(*args): return _openbabel.vectorUnsignedInt_push_back(*args)
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def front(*args): return _openbabel.vectorUnsignedInt_front(*args)
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def back(*args): return _openbabel.vectorUnsignedInt_back(*args)
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def assign(*args): return _openbabel.vectorUnsignedInt_assign(*args)
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def resize(*args): return _openbabel.vectorUnsignedInt_resize(*args)
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def insert(*args): return _openbabel.vectorUnsignedInt_insert(*args)
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def reserve(*args): return _openbabel.vectorUnsignedInt_reserve(*args)
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def capacity(*args): return _openbabel.vectorUnsignedInt_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vectorUnsignedInt
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__del__ = lambda self : None;
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vectorUnsignedInt_swigregister = _openbabel.vectorUnsignedInt_swigregister
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vectorUnsignedInt_swigregister(vectorUnsignedInt)
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class vvInt(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vvInt_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vvInt___nonzero__(*args)
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def __len__(*args): return _openbabel.vvInt___len__(*args)
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def pop(*args): return _openbabel.vvInt_pop(*args)
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def __getslice__(*args): return _openbabel.vvInt___getslice__(*args)
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def __setslice__(*args): return _openbabel.vvInt___setslice__(*args)
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def __delslice__(*args): return _openbabel.vvInt___delslice__(*args)
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def __delitem__(*args): return _openbabel.vvInt___delitem__(*args)
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def __getitem__(*args): return _openbabel.vvInt___getitem__(*args)
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def __setitem__(*args): return _openbabel.vvInt___setitem__(*args)
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def append(*args): return _openbabel.vvInt_append(*args)
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def empty(*args): return _openbabel.vvInt_empty(*args)
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def size(*args): return _openbabel.vvInt_size(*args)
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def clear(*args): return _openbabel.vvInt_clear(*args)
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def swap(*args): return _openbabel.vvInt_swap(*args)
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def get_allocator(*args): return _openbabel.vvInt_get_allocator(*args)
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def begin(*args): return _openbabel.vvInt_begin(*args)
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def end(*args): return _openbabel.vvInt_end(*args)
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def rbegin(*args): return _openbabel.vvInt_rbegin(*args)
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def rend(*args): return _openbabel.vvInt_rend(*args)
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def pop_back(*args): return _openbabel.vvInt_pop_back(*args)
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def erase(*args): return _openbabel.vvInt_erase(*args)
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def __init__(self, *args):
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_openbabel.vvInt_swiginit(self,_openbabel.new_vvInt(*args))
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def push_back(*args): return _openbabel.vvInt_push_back(*args)
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def front(*args): return _openbabel.vvInt_front(*args)
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def back(*args): return _openbabel.vvInt_back(*args)
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def assign(*args): return _openbabel.vvInt_assign(*args)
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def resize(*args): return _openbabel.vvInt_resize(*args)
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def insert(*args): return _openbabel.vvInt_insert(*args)
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def reserve(*args): return _openbabel.vvInt_reserve(*args)
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def capacity(*args): return _openbabel.vvInt_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vvInt
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__del__ = lambda self : None;
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vvInt_swigregister = _openbabel.vvInt_swigregister
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vvInt_swigregister(vvInt)
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class vectorDouble(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vectorDouble_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vectorDouble___nonzero__(*args)
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def __len__(*args): return _openbabel.vectorDouble___len__(*args)
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def pop(*args): return _openbabel.vectorDouble_pop(*args)
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def __getslice__(*args): return _openbabel.vectorDouble___getslice__(*args)
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def __setslice__(*args): return _openbabel.vectorDouble___setslice__(*args)
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def __delslice__(*args): return _openbabel.vectorDouble___delslice__(*args)
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def __delitem__(*args): return _openbabel.vectorDouble___delitem__(*args)
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def __getitem__(*args): return _openbabel.vectorDouble___getitem__(*args)
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def __setitem__(*args): return _openbabel.vectorDouble___setitem__(*args)
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def append(*args): return _openbabel.vectorDouble_append(*args)
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def empty(*args): return _openbabel.vectorDouble_empty(*args)
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def size(*args): return _openbabel.vectorDouble_size(*args)
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def clear(*args): return _openbabel.vectorDouble_clear(*args)
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def swap(*args): return _openbabel.vectorDouble_swap(*args)
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def get_allocator(*args): return _openbabel.vectorDouble_get_allocator(*args)
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def begin(*args): return _openbabel.vectorDouble_begin(*args)
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def end(*args): return _openbabel.vectorDouble_end(*args)
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def rbegin(*args): return _openbabel.vectorDouble_rbegin(*args)
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def rend(*args): return _openbabel.vectorDouble_rend(*args)
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def pop_back(*args): return _openbabel.vectorDouble_pop_back(*args)
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def erase(*args): return _openbabel.vectorDouble_erase(*args)
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def __init__(self, *args):
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_openbabel.vectorDouble_swiginit(self,_openbabel.new_vectorDouble(*args))
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def push_back(*args): return _openbabel.vectorDouble_push_back(*args)
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def front(*args): return _openbabel.vectorDouble_front(*args)
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def back(*args): return _openbabel.vectorDouble_back(*args)
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def assign(*args): return _openbabel.vectorDouble_assign(*args)
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def resize(*args): return _openbabel.vectorDouble_resize(*args)
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def insert(*args): return _openbabel.vectorDouble_insert(*args)
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def reserve(*args): return _openbabel.vectorDouble_reserve(*args)
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def capacity(*args): return _openbabel.vectorDouble_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vectorDouble
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__del__ = lambda self : None;
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vectorDouble_swigregister = _openbabel.vectorDouble_swigregister
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vectorDouble_swigregister(vectorDouble)
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class vVector3(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vVector3_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vVector3___nonzero__(*args)
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def __len__(*args): return _openbabel.vVector3___len__(*args)
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def pop(*args): return _openbabel.vVector3_pop(*args)
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def __getslice__(*args): return _openbabel.vVector3___getslice__(*args)
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def __setslice__(*args): return _openbabel.vVector3___setslice__(*args)
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def __delslice__(*args): return _openbabel.vVector3___delslice__(*args)
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def __delitem__(*args): return _openbabel.vVector3___delitem__(*args)
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def __getitem__(*args): return _openbabel.vVector3___getitem__(*args)
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def __setitem__(*args): return _openbabel.vVector3___setitem__(*args)
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def append(*args): return _openbabel.vVector3_append(*args)
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def empty(*args): return _openbabel.vVector3_empty(*args)
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def size(*args): return _openbabel.vVector3_size(*args)
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def clear(*args): return _openbabel.vVector3_clear(*args)
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def swap(*args): return _openbabel.vVector3_swap(*args)
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def get_allocator(*args): return _openbabel.vVector3_get_allocator(*args)
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def begin(*args): return _openbabel.vVector3_begin(*args)
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def end(*args): return _openbabel.vVector3_end(*args)
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def rbegin(*args): return _openbabel.vVector3_rbegin(*args)
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def rend(*args): return _openbabel.vVector3_rend(*args)
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def pop_back(*args): return _openbabel.vVector3_pop_back(*args)
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def erase(*args): return _openbabel.vVector3_erase(*args)
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def __init__(self, *args):
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_openbabel.vVector3_swiginit(self,_openbabel.new_vVector3(*args))
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def push_back(*args): return _openbabel.vVector3_push_back(*args)
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def front(*args): return _openbabel.vVector3_front(*args)
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def back(*args): return _openbabel.vVector3_back(*args)
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def assign(*args): return _openbabel.vVector3_assign(*args)
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def resize(*args): return _openbabel.vVector3_resize(*args)
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def insert(*args): return _openbabel.vVector3_insert(*args)
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def reserve(*args): return _openbabel.vVector3_reserve(*args)
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def capacity(*args): return _openbabel.vVector3_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vVector3
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__del__ = lambda self : None;
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vVector3_swigregister = _openbabel.vVector3_swigregister
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vVector3_swigregister(vVector3)
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class vectorMol(object):
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thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
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__repr__ = _swig_repr
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def iterator(*args): return _openbabel.vectorMol_iterator(*args)
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def __iter__(self): return self.iterator()
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def __nonzero__(*args): return _openbabel.vectorMol___nonzero__(*args)
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def __len__(*args): return _openbabel.vectorMol___len__(*args)
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def pop(*args): return _openbabel.vectorMol_pop(*args)
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def __getslice__(*args): return _openbabel.vectorMol___getslice__(*args)
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def __setslice__(*args): return _openbabel.vectorMol___setslice__(*args)
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def __delslice__(*args): return _openbabel.vectorMol___delslice__(*args)
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def __delitem__(*args): return _openbabel.vectorMol___delitem__(*args)
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def __getitem__(*args): return _openbabel.vectorMol___getitem__(*args)
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def __setitem__(*args): return _openbabel.vectorMol___setitem__(*args)
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def append(*args): return _openbabel.vectorMol_append(*args)
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def empty(*args): return _openbabel.vectorMol_empty(*args)
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def size(*args): return _openbabel.vectorMol_size(*args)
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def clear(*args): return _openbabel.vectorMol_clear(*args)
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def swap(*args): return _openbabel.vectorMol_swap(*args)
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def get_allocator(*args): return _openbabel.vectorMol_get_allocator(*args)
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def begin(*args): return _openbabel.vectorMol_begin(*args)
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def end(*args): return _openbabel.vectorMol_end(*args)
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def rbegin(*args): return _openbabel.vectorMol_rbegin(*args)
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def rend(*args): return _openbabel.vectorMol_rend(*args)
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def pop_back(*args): return _openbabel.vectorMol_pop_back(*args)
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def erase(*args): return _openbabel.vectorMol_erase(*args)
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def __init__(self, *args):
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_openbabel.vectorMol_swiginit(self,_openbabel.new_vectorMol(*args))
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def push_back(*args): return _openbabel.vectorMol_push_back(*args)
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def front(*args): return _openbabel.vectorMol_front(*args)
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def back(*args): return _openbabel.vectorMol_back(*args)
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def assign(*args): return _openbabel.vectorMol_assign(*args)
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def resize(*args): return _openbabel.vectorMol_resize(*args)
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def insert(*args): return _openbabel.vectorMol_insert(*args)
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def reserve(*args): return _openbabel.vectorMol_reserve(*args)
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def capacity(*args): return _openbabel.vectorMol_capacity(*args)
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__swig_destroy__ = _openbabel.delete_vectorMol
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__del__ = lambda self : None;
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vectorMol_swigregister = _openbabel.vectorMol_swigregister
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vectorMol_swigregister(vectorMol)
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|
class vectorBond(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def iterator(*args): return _openbabel.vectorBond_iterator(*args)
|
|
def __iter__(self): return self.iterator()
|
|
def __nonzero__(*args): return _openbabel.vectorBond___nonzero__(*args)
|
|
def __len__(*args): return _openbabel.vectorBond___len__(*args)
|
|
def pop(*args): return _openbabel.vectorBond_pop(*args)
|
|
def __getslice__(*args): return _openbabel.vectorBond___getslice__(*args)
|
|
def __setslice__(*args): return _openbabel.vectorBond___setslice__(*args)
|
|
def __delslice__(*args): return _openbabel.vectorBond___delslice__(*args)
|
|
def __delitem__(*args): return _openbabel.vectorBond___delitem__(*args)
|
|
def __getitem__(*args): return _openbabel.vectorBond___getitem__(*args)
|
|
def __setitem__(*args): return _openbabel.vectorBond___setitem__(*args)
|
|
def append(*args): return _openbabel.vectorBond_append(*args)
|
|
def empty(*args): return _openbabel.vectorBond_empty(*args)
|
|
def size(*args): return _openbabel.vectorBond_size(*args)
|
|
def clear(*args): return _openbabel.vectorBond_clear(*args)
|
|
def swap(*args): return _openbabel.vectorBond_swap(*args)
|
|
def get_allocator(*args): return _openbabel.vectorBond_get_allocator(*args)
|
|
def begin(*args): return _openbabel.vectorBond_begin(*args)
|
|
def end(*args): return _openbabel.vectorBond_end(*args)
|
|
def rbegin(*args): return _openbabel.vectorBond_rbegin(*args)
|
|
def rend(*args): return _openbabel.vectorBond_rend(*args)
|
|
def pop_back(*args): return _openbabel.vectorBond_pop_back(*args)
|
|
def erase(*args): return _openbabel.vectorBond_erase(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.vectorBond_swiginit(self,_openbabel.new_vectorBond(*args))
|
|
def push_back(*args): return _openbabel.vectorBond_push_back(*args)
|
|
def front(*args): return _openbabel.vectorBond_front(*args)
|
|
def back(*args): return _openbabel.vectorBond_back(*args)
|
|
def assign(*args): return _openbabel.vectorBond_assign(*args)
|
|
def resize(*args): return _openbabel.vectorBond_resize(*args)
|
|
def insert(*args): return _openbabel.vectorBond_insert(*args)
|
|
def reserve(*args): return _openbabel.vectorBond_reserve(*args)
|
|
def capacity(*args): return _openbabel.vectorBond_capacity(*args)
|
|
__swig_destroy__ = _openbabel.delete_vectorBond
|
|
__del__ = lambda self : None;
|
|
vectorBond_swigregister = _openbabel.vectorBond_swigregister
|
|
vectorBond_swigregister(vectorBond)
|
|
|
|
class vectorResidue(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def iterator(*args): return _openbabel.vectorResidue_iterator(*args)
|
|
def __iter__(self): return self.iterator()
|
|
def __nonzero__(*args): return _openbabel.vectorResidue___nonzero__(*args)
|
|
def __len__(*args): return _openbabel.vectorResidue___len__(*args)
|
|
def pop(*args): return _openbabel.vectorResidue_pop(*args)
|
|
def __getslice__(*args): return _openbabel.vectorResidue___getslice__(*args)
|
|
def __setslice__(*args): return _openbabel.vectorResidue___setslice__(*args)
|
|
def __delslice__(*args): return _openbabel.vectorResidue___delslice__(*args)
|
|
def __delitem__(*args): return _openbabel.vectorResidue___delitem__(*args)
|
|
def __getitem__(*args): return _openbabel.vectorResidue___getitem__(*args)
|
|
def __setitem__(*args): return _openbabel.vectorResidue___setitem__(*args)
|
|
def append(*args): return _openbabel.vectorResidue_append(*args)
|
|
def empty(*args): return _openbabel.vectorResidue_empty(*args)
|
|
def size(*args): return _openbabel.vectorResidue_size(*args)
|
|
def clear(*args): return _openbabel.vectorResidue_clear(*args)
|
|
def swap(*args): return _openbabel.vectorResidue_swap(*args)
|
|
def get_allocator(*args): return _openbabel.vectorResidue_get_allocator(*args)
|
|
def begin(*args): return _openbabel.vectorResidue_begin(*args)
|
|
def end(*args): return _openbabel.vectorResidue_end(*args)
|
|
def rbegin(*args): return _openbabel.vectorResidue_rbegin(*args)
|
|
def rend(*args): return _openbabel.vectorResidue_rend(*args)
|
|
def pop_back(*args): return _openbabel.vectorResidue_pop_back(*args)
|
|
def erase(*args): return _openbabel.vectorResidue_erase(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.vectorResidue_swiginit(self,_openbabel.new_vectorResidue(*args))
|
|
def push_back(*args): return _openbabel.vectorResidue_push_back(*args)
|
|
def front(*args): return _openbabel.vectorResidue_front(*args)
|
|
def back(*args): return _openbabel.vectorResidue_back(*args)
|
|
def assign(*args): return _openbabel.vectorResidue_assign(*args)
|
|
def resize(*args): return _openbabel.vectorResidue_resize(*args)
|
|
def insert(*args): return _openbabel.vectorResidue_insert(*args)
|
|
def reserve(*args): return _openbabel.vectorResidue_reserve(*args)
|
|
def capacity(*args): return _openbabel.vectorResidue_capacity(*args)
|
|
__swig_destroy__ = _openbabel.delete_vectorResidue
|
|
__del__ = lambda self : None;
|
|
vectorResidue_swigregister = _openbabel.vectorResidue_swigregister
|
|
vectorResidue_swigregister(vectorResidue)
|
|
|
|
class vectorRing(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def iterator(*args): return _openbabel.vectorRing_iterator(*args)
|
|
def __iter__(self): return self.iterator()
|
|
def __nonzero__(*args): return _openbabel.vectorRing___nonzero__(*args)
|
|
def __len__(*args): return _openbabel.vectorRing___len__(*args)
|
|
def pop(*args): return _openbabel.vectorRing_pop(*args)
|
|
def __getslice__(*args): return _openbabel.vectorRing___getslice__(*args)
|
|
def __setslice__(*args): return _openbabel.vectorRing___setslice__(*args)
|
|
def __delslice__(*args): return _openbabel.vectorRing___delslice__(*args)
|
|
def __delitem__(*args): return _openbabel.vectorRing___delitem__(*args)
|
|
def __getitem__(*args): return _openbabel.vectorRing___getitem__(*args)
|
|
def __setitem__(*args): return _openbabel.vectorRing___setitem__(*args)
|
|
def append(*args): return _openbabel.vectorRing_append(*args)
|
|
def empty(*args): return _openbabel.vectorRing_empty(*args)
|
|
def size(*args): return _openbabel.vectorRing_size(*args)
|
|
def clear(*args): return _openbabel.vectorRing_clear(*args)
|
|
def swap(*args): return _openbabel.vectorRing_swap(*args)
|
|
def get_allocator(*args): return _openbabel.vectorRing_get_allocator(*args)
|
|
def begin(*args): return _openbabel.vectorRing_begin(*args)
|
|
def end(*args): return _openbabel.vectorRing_end(*args)
|
|
def rbegin(*args): return _openbabel.vectorRing_rbegin(*args)
|
|
def rend(*args): return _openbabel.vectorRing_rend(*args)
|
|
def pop_back(*args): return _openbabel.vectorRing_pop_back(*args)
|
|
def erase(*args): return _openbabel.vectorRing_erase(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.vectorRing_swiginit(self,_openbabel.new_vectorRing(*args))
|
|
def push_back(*args): return _openbabel.vectorRing_push_back(*args)
|
|
def front(*args): return _openbabel.vectorRing_front(*args)
|
|
def back(*args): return _openbabel.vectorRing_back(*args)
|
|
def assign(*args): return _openbabel.vectorRing_assign(*args)
|
|
def resize(*args): return _openbabel.vectorRing_resize(*args)
|
|
def insert(*args): return _openbabel.vectorRing_insert(*args)
|
|
def reserve(*args): return _openbabel.vectorRing_reserve(*args)
|
|
def capacity(*args): return _openbabel.vectorRing_capacity(*args)
|
|
__swig_destroy__ = _openbabel.delete_vectorRing
|
|
__del__ = lambda self : None;
|
|
vectorRing_swigregister = _openbabel.vectorRing_swigregister
|
|
vectorRing_swigregister(vectorRing)
|
|
|
|
class vectorData(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def iterator(*args): return _openbabel.vectorData_iterator(*args)
|
|
def __iter__(self): return self.iterator()
|
|
def __nonzero__(*args): return _openbabel.vectorData___nonzero__(*args)
|
|
def __len__(*args): return _openbabel.vectorData___len__(*args)
|
|
def pop(*args): return _openbabel.vectorData_pop(*args)
|
|
def __getslice__(*args): return _openbabel.vectorData___getslice__(*args)
|
|
def __setslice__(*args): return _openbabel.vectorData___setslice__(*args)
|
|
def __delslice__(*args): return _openbabel.vectorData___delslice__(*args)
|
|
def __delitem__(*args): return _openbabel.vectorData___delitem__(*args)
|
|
def __getitem__(*args): return _openbabel.vectorData___getitem__(*args)
|
|
def __setitem__(*args): return _openbabel.vectorData___setitem__(*args)
|
|
def append(*args): return _openbabel.vectorData_append(*args)
|
|
def empty(*args): return _openbabel.vectorData_empty(*args)
|
|
def size(*args): return _openbabel.vectorData_size(*args)
|
|
def clear(*args): return _openbabel.vectorData_clear(*args)
|
|
def swap(*args): return _openbabel.vectorData_swap(*args)
|
|
def get_allocator(*args): return _openbabel.vectorData_get_allocator(*args)
|
|
def begin(*args): return _openbabel.vectorData_begin(*args)
|
|
def end(*args): return _openbabel.vectorData_end(*args)
|
|
def rbegin(*args): return _openbabel.vectorData_rbegin(*args)
|
|
def rend(*args): return _openbabel.vectorData_rend(*args)
|
|
def pop_back(*args): return _openbabel.vectorData_pop_back(*args)
|
|
def erase(*args): return _openbabel.vectorData_erase(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.vectorData_swiginit(self,_openbabel.new_vectorData(*args))
|
|
def push_back(*args): return _openbabel.vectorData_push_back(*args)
|
|
def front(*args): return _openbabel.vectorData_front(*args)
|
|
def back(*args): return _openbabel.vectorData_back(*args)
|
|
def assign(*args): return _openbabel.vectorData_assign(*args)
|
|
def resize(*args): return _openbabel.vectorData_resize(*args)
|
|
def insert(*args): return _openbabel.vectorData_insert(*args)
|
|
def reserve(*args): return _openbabel.vectorData_reserve(*args)
|
|
def capacity(*args): return _openbabel.vectorData_capacity(*args)
|
|
__swig_destroy__ = _openbabel.delete_vectorData
|
|
__del__ = lambda self : None;
|
|
vectorData_swigregister = _openbabel.vectorData_swigregister
|
|
vectorData_swigregister(vectorData)
|
|
|
|
class OBGlobalDataBase(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBGlobalDataBase_swiginit(self,_openbabel.new_OBGlobalDataBase(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBGlobalDataBase
|
|
__del__ = lambda self : None;
|
|
def Init(*args): return _openbabel.OBGlobalDataBase_Init(*args)
|
|
def GetSize(*args): return _openbabel.OBGlobalDataBase_GetSize(*args)
|
|
def SetReadDirectory(*args): return _openbabel.OBGlobalDataBase_SetReadDirectory(*args)
|
|
def SetEnvironmentVariable(*args): return _openbabel.OBGlobalDataBase_SetEnvironmentVariable(*args)
|
|
def ParseLine(*args): return _openbabel.OBGlobalDataBase_ParseLine(*args)
|
|
OBGlobalDataBase_swigregister = _openbabel.OBGlobalDataBase_swigregister
|
|
OBGlobalDataBase_swigregister(OBGlobalDataBase)
|
|
|
|
class OBElement(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBElement_swiginit(self,_openbabel.new_OBElement(*args))
|
|
def GetAtomicNum(*args): return _openbabel.OBElement_GetAtomicNum(*args)
|
|
def GetSymbol(*args): return _openbabel.OBElement_GetSymbol(*args)
|
|
def GetCovalentRad(*args): return _openbabel.OBElement_GetCovalentRad(*args)
|
|
def GetVdwRad(*args): return _openbabel.OBElement_GetVdwRad(*args)
|
|
def GetMass(*args): return _openbabel.OBElement_GetMass(*args)
|
|
def GetMaxBonds(*args): return _openbabel.OBElement_GetMaxBonds(*args)
|
|
def GetElectroNeg(*args): return _openbabel.OBElement_GetElectroNeg(*args)
|
|
def GetIonization(*args): return _openbabel.OBElement_GetIonization(*args)
|
|
def GetElectronAffinity(*args): return _openbabel.OBElement_GetElectronAffinity(*args)
|
|
def GetName(*args): return _openbabel.OBElement_GetName(*args)
|
|
def GetRed(*args): return _openbabel.OBElement_GetRed(*args)
|
|
def GetGreen(*args): return _openbabel.OBElement_GetGreen(*args)
|
|
def GetBlue(*args): return _openbabel.OBElement_GetBlue(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBElement
|
|
__del__ = lambda self : None;
|
|
OBElement_swigregister = _openbabel.OBElement_swigregister
|
|
OBElement_swigregister(OBElement)
|
|
|
|
class OBElementTable(OBGlobalDataBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBElementTable_swiginit(self,_openbabel.new_OBElementTable(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBElementTable
|
|
__del__ = lambda self : None;
|
|
def ParseLine(*args): return _openbabel.OBElementTable_ParseLine(*args)
|
|
def GetNumberOfElements(*args): return _openbabel.OBElementTable_GetNumberOfElements(*args)
|
|
def GetSize(*args): return _openbabel.OBElementTable_GetSize(*args)
|
|
def GetAtomicNum(*args): return _openbabel.OBElementTable_GetAtomicNum(*args)
|
|
def GetSymbol(*args): return _openbabel.OBElementTable_GetSymbol(*args)
|
|
def GetVdwRad(*args): return _openbabel.OBElementTable_GetVdwRad(*args)
|
|
def GetCovalentRad(*args): return _openbabel.OBElementTable_GetCovalentRad(*args)
|
|
def GetMass(*args): return _openbabel.OBElementTable_GetMass(*args)
|
|
def CorrectedBondRad(*args): return _openbabel.OBElementTable_CorrectedBondRad(*args)
|
|
def CorrectedVdwRad(*args): return _openbabel.OBElementTable_CorrectedVdwRad(*args)
|
|
def GetMaxBonds(*args): return _openbabel.OBElementTable_GetMaxBonds(*args)
|
|
def GetElectroNeg(*args): return _openbabel.OBElementTable_GetElectroNeg(*args)
|
|
def GetIonization(*args): return _openbabel.OBElementTable_GetIonization(*args)
|
|
def GetElectronAffinity(*args): return _openbabel.OBElementTable_GetElectronAffinity(*args)
|
|
def GetRGB(*args): return _openbabel.OBElementTable_GetRGB(*args)
|
|
def GetName(*args): return _openbabel.OBElementTable_GetName(*args)
|
|
OBElementTable_swigregister = _openbabel.OBElementTable_swigregister
|
|
OBElementTable_swigregister(OBElementTable)
|
|
|
|
class OBIsotopeTable(OBGlobalDataBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBIsotopeTable_swiginit(self,_openbabel.new_OBIsotopeTable(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBIsotopeTable
|
|
__del__ = lambda self : None;
|
|
def GetSize(*args): return _openbabel.OBIsotopeTable_GetSize(*args)
|
|
def ParseLine(*args): return _openbabel.OBIsotopeTable_ParseLine(*args)
|
|
def GetExactMass(*args): return _openbabel.OBIsotopeTable_GetExactMass(*args)
|
|
OBIsotopeTable_swigregister = _openbabel.OBIsotopeTable_swigregister
|
|
OBIsotopeTable_swigregister(OBIsotopeTable)
|
|
|
|
class OBTypeTable(OBGlobalDataBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBTypeTable_swiginit(self,_openbabel.new_OBTypeTable(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBTypeTable
|
|
__del__ = lambda self : None;
|
|
def ParseLine(*args): return _openbabel.OBTypeTable_ParseLine(*args)
|
|
def GetSize(*args): return _openbabel.OBTypeTable_GetSize(*args)
|
|
def SetFromType(*args): return _openbabel.OBTypeTable_SetFromType(*args)
|
|
def SetToType(*args): return _openbabel.OBTypeTable_SetToType(*args)
|
|
def Translate(*args): return _openbabel.OBTypeTable_Translate(*args)
|
|
def GetFromType(*args): return _openbabel.OBTypeTable_GetFromType(*args)
|
|
def GetToType(*args): return _openbabel.OBTypeTable_GetToType(*args)
|
|
OBTypeTable_swigregister = _openbabel.OBTypeTable_swigregister
|
|
OBTypeTable_swigregister(OBTypeTable)
|
|
|
|
class OBResidueData(OBGlobalDataBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBResidueData_swiginit(self,_openbabel.new_OBResidueData(*args))
|
|
def ParseLine(*args): return _openbabel.OBResidueData_ParseLine(*args)
|
|
def GetSize(*args): return _openbabel.OBResidueData_GetSize(*args)
|
|
def SetResName(*args): return _openbabel.OBResidueData_SetResName(*args)
|
|
def LookupBO(*args): return _openbabel.OBResidueData_LookupBO(*args)
|
|
def LookupType(*args): return _openbabel.OBResidueData_LookupType(*args)
|
|
def AssignBonds(*args): return _openbabel.OBResidueData_AssignBonds(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBResidueData
|
|
__del__ = lambda self : None;
|
|
OBResidueData_swigregister = _openbabel.OBResidueData_swigregister
|
|
OBResidueData_swigregister(OBResidueData)
|
|
|
|
OpenDatafile = _openbabel.OpenDatafile
|
|
FILE_SEP_CHAR = _openbabel.FILE_SEP_CHAR
|
|
class DoubleType(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
hi = _swig_property(_openbabel.DoubleType_hi_get, _openbabel.DoubleType_hi_set)
|
|
lo = _swig_property(_openbabel.DoubleType_lo_get, _openbabel.DoubleType_lo_set)
|
|
def __init__(self, *args):
|
|
_openbabel.DoubleType_swiginit(self,_openbabel.new_DoubleType(*args))
|
|
__swig_destroy__ = _openbabel.delete_DoubleType
|
|
__del__ = lambda self : None;
|
|
DoubleType_swigregister = _openbabel.DoubleType_swigregister
|
|
DoubleType_swigregister(DoubleType)
|
|
|
|
DoubleMultiply = _openbabel.DoubleMultiply
|
|
DoubleAdd = _openbabel.DoubleAdd
|
|
DoubleModulus = _openbabel.DoubleModulus
|
|
class OBRandom(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBRandom_swiginit(self,_openbabel.new_OBRandom(*args))
|
|
def Seed(*args): return _openbabel.OBRandom_Seed(*args)
|
|
def TimeSeed(*args): return _openbabel.OBRandom_TimeSeed(*args)
|
|
def NextInt(*args): return _openbabel.OBRandom_NextInt(*args)
|
|
def NextFloat(*args): return _openbabel.OBRandom_NextFloat(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBRandom
|
|
__del__ = lambda self : None;
|
|
OBRandom_swigregister = _openbabel.OBRandom_swigregister
|
|
OBRandom_swigregister(OBRandom)
|
|
|
|
M_PI = _openbabel.M_PI
|
|
class OBStopwatch(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def Start(*args): return _openbabel.OBStopwatch_Start(*args)
|
|
def Lap(*args): return _openbabel.OBStopwatch_Lap(*args)
|
|
def Elapsed(*args): return _openbabel.OBStopwatch_Elapsed(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.OBStopwatch_swiginit(self,_openbabel.new_OBStopwatch(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBStopwatch
|
|
__del__ = lambda self : None;
|
|
OBStopwatch_swigregister = _openbabel.OBStopwatch_swigregister
|
|
OBStopwatch_swigregister(OBStopwatch)
|
|
|
|
class OBSqrtTbl(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBSqrtTbl_swiginit(self,_openbabel.new_OBSqrtTbl(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBSqrtTbl
|
|
__del__ = lambda self : None;
|
|
def Sqrt(*args): return _openbabel.OBSqrtTbl_Sqrt(*args)
|
|
def Init(*args): return _openbabel.OBSqrtTbl_Init(*args)
|
|
OBSqrtTbl_swigregister = _openbabel.OBSqrtTbl_swigregister
|
|
OBSqrtTbl_swigregister(OBSqrtTbl)
|
|
|
|
RAD_TO_DEG = _openbabel.RAD_TO_DEG
|
|
DEG_TO_RAD = _openbabel.DEG_TO_RAD
|
|
class vector3(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.vector3_swiginit(self,_openbabel.new_vector3(*args))
|
|
def Set(*args): return _openbabel.vector3_Set(*args)
|
|
def SetX(*args): return _openbabel.vector3_SetX(*args)
|
|
def SetY(*args): return _openbabel.vector3_SetY(*args)
|
|
def SetZ(*args): return _openbabel.vector3_SetZ(*args)
|
|
def Get(*args): return _openbabel.vector3_Get(*args)
|
|
def AsArray(*args): return _openbabel.vector3_AsArray(*args)
|
|
def __iadd__(*args): return _openbabel.vector3___iadd__(*args)
|
|
def __isub__(*args): return _openbabel.vector3___isub__(*args)
|
|
def __idiv__(*args): return _openbabel.vector3___idiv__(*args)
|
|
def __imul__(*args): return _openbabel.vector3___imul__(*args)
|
|
def randomUnitVector(*args): return _openbabel.vector3_randomUnitVector(*args)
|
|
def normalize(*args): return _openbabel.vector3_normalize(*args)
|
|
def CanBeNormalized(*args): return _openbabel.vector3_CanBeNormalized(*args)
|
|
def length_2(*args): return _openbabel.vector3_length_2(*args)
|
|
def length(*args): return _openbabel.vector3_length(*args)
|
|
def x(*args): return _openbabel.vector3_x(*args)
|
|
def y(*args): return _openbabel.vector3_y(*args)
|
|
def z(*args): return _openbabel.vector3_z(*args)
|
|
def __eq__(*args): return _openbabel.vector3___eq__(*args)
|
|
def __ne__(*args): return _openbabel.vector3___ne__(*args)
|
|
def IsApprox(*args): return _openbabel.vector3_IsApprox(*args)
|
|
def distSq(*args): return _openbabel.vector3_distSq(*args)
|
|
def createOrthoVector(*args): return _openbabel.vector3_createOrthoVector(*args)
|
|
__swig_destroy__ = _openbabel.delete_vector3
|
|
__del__ = lambda self : None;
|
|
vector3_swigregister = _openbabel.vector3_swigregister
|
|
vector3_swigregister(vector3)
|
|
|
|
__lshift__ = _openbabel.__lshift__
|
|
__add__ = _openbabel.__add__
|
|
__div__ = _openbabel.__div__
|
|
dot = _openbabel.dot
|
|
cross = _openbabel.cross
|
|
vectorAngle = _openbabel.vectorAngle
|
|
CalcTorsionAngle = _openbabel.CalcTorsionAngle
|
|
Point2Plane = _openbabel.Point2Plane
|
|
Point2PlaneAngle = _openbabel.Point2PlaneAngle
|
|
Trim = _openbabel.Trim
|
|
UndefinedData = _openbabel.UndefinedData
|
|
PairData = _openbabel.PairData
|
|
EnergyData = _openbabel.EnergyData
|
|
CommentData = _openbabel.CommentData
|
|
ConformerData = _openbabel.ConformerData
|
|
ExternalBondData = _openbabel.ExternalBondData
|
|
RotamerList = _openbabel.RotamerList
|
|
VirtualBondData = _openbabel.VirtualBondData
|
|
RingData = _openbabel.RingData
|
|
TorsionData = _openbabel.TorsionData
|
|
AngleData = _openbabel.AngleData
|
|
SerialNums = _openbabel.SerialNums
|
|
UnitCell = _openbabel.UnitCell
|
|
SpinData = _openbabel.SpinData
|
|
ChargeData = _openbabel.ChargeData
|
|
SymmetryData = _openbabel.SymmetryData
|
|
ChiralData = _openbabel.ChiralData
|
|
OccupationData = _openbabel.OccupationData
|
|
DensityData = _openbabel.DensityData
|
|
ElectronicData = _openbabel.ElectronicData
|
|
VibrationData = _openbabel.VibrationData
|
|
RotationData = _openbabel.RotationData
|
|
NuclearData = _openbabel.NuclearData
|
|
SetData = _openbabel.SetData
|
|
CustomData0 = _openbabel.CustomData0
|
|
CustomData1 = _openbabel.CustomData1
|
|
CustomData2 = _openbabel.CustomData2
|
|
CustomData3 = _openbabel.CustomData3
|
|
CustomData4 = _openbabel.CustomData4
|
|
CustomData5 = _openbabel.CustomData5
|
|
CustomData6 = _openbabel.CustomData6
|
|
CustomData7 = _openbabel.CustomData7
|
|
CustomData8 = _openbabel.CustomData8
|
|
CustomData9 = _openbabel.CustomData9
|
|
CustomData10 = _openbabel.CustomData10
|
|
CustomData11 = _openbabel.CustomData11
|
|
CustomData12 = _openbabel.CustomData12
|
|
CustomData13 = _openbabel.CustomData13
|
|
CustomData14 = _openbabel.CustomData14
|
|
CustomData15 = _openbabel.CustomData15
|
|
any = _openbabel.any
|
|
readInput = _openbabel.readInput
|
|
userInput = _openbabel.userInput
|
|
perceived = _openbabel.perceived
|
|
external = _openbabel.external
|
|
class OBGenericData(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBGenericData_swiginit(self,_openbabel.new_OBGenericData(*args))
|
|
def Clone(*args): return _openbabel.OBGenericData_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBGenericData
|
|
__del__ = lambda self : None;
|
|
def SetAttribute(*args): return _openbabel.OBGenericData_SetAttribute(*args)
|
|
def SetSource(*args): return _openbabel.OBGenericData_SetSource(*args)
|
|
def GetAttribute(*args): return _openbabel.OBGenericData_GetAttribute(*args)
|
|
def GetDataType(*args): return _openbabel.OBGenericData_GetDataType(*args)
|
|
def GetValue(*args): return _openbabel.OBGenericData_GetValue(*args)
|
|
def GetSource(*args): return _openbabel.OBGenericData_GetSource(*args)
|
|
OBGenericData_swigregister = _openbabel.OBGenericData_swigregister
|
|
OBGenericData_swigregister(OBGenericData)
|
|
__sub__ = _openbabel.__sub__
|
|
__mul__ = _openbabel.__mul__
|
|
cvar = _openbabel.cvar
|
|
VZero = cvar.VZero
|
|
VX = cvar.VX
|
|
VY = cvar.VY
|
|
VZ = cvar.VZ
|
|
|
|
class OBCommentData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBCommentData_swiginit(self,_openbabel.new_OBCommentData(*args))
|
|
def Clone(*args): return _openbabel.OBCommentData_Clone(*args)
|
|
def SetData(*args): return _openbabel.OBCommentData_SetData(*args)
|
|
def GetData(*args): return _openbabel.OBCommentData_GetData(*args)
|
|
def GetValue(*args): return _openbabel.OBCommentData_GetValue(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBCommentData
|
|
__del__ = lambda self : None;
|
|
OBCommentData_swigregister = _openbabel.OBCommentData_swigregister
|
|
OBCommentData_swigregister(OBCommentData)
|
|
|
|
class OBExternalBond(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBExternalBond_swiginit(self,_openbabel.new_OBExternalBond(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBExternalBond
|
|
__del__ = lambda self : None;
|
|
def GetIdx(*args): return _openbabel.OBExternalBond_GetIdx(*args)
|
|
def GetAtom(*args): return _openbabel.OBExternalBond_GetAtom(*args)
|
|
def GetBond(*args): return _openbabel.OBExternalBond_GetBond(*args)
|
|
def SetIdx(*args): return _openbabel.OBExternalBond_SetIdx(*args)
|
|
def SetAtom(*args): return _openbabel.OBExternalBond_SetAtom(*args)
|
|
def SetBond(*args): return _openbabel.OBExternalBond_SetBond(*args)
|
|
OBExternalBond_swigregister = _openbabel.OBExternalBond_swigregister
|
|
OBExternalBond_swigregister(OBExternalBond)
|
|
|
|
class OBExternalBondData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBExternalBondData_swiginit(self,_openbabel.new_OBExternalBondData(*args))
|
|
def Clone(*args): return _openbabel.OBExternalBondData_Clone(*args)
|
|
def SetData(*args): return _openbabel.OBExternalBondData_SetData(*args)
|
|
def GetData(*args): return _openbabel.OBExternalBondData_GetData(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBExternalBondData
|
|
__del__ = lambda self : None;
|
|
OBExternalBondData_swigregister = _openbabel.OBExternalBondData_swigregister
|
|
OBExternalBondData_swigregister(OBExternalBondData)
|
|
|
|
class OBPairData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBPairData_swiginit(self,_openbabel.new_OBPairData(*args))
|
|
def Clone(*args): return _openbabel.OBPairData_Clone(*args)
|
|
def SetValue(*args): return _openbabel.OBPairData_SetValue(*args)
|
|
def GetValue(*args): return _openbabel.OBPairData_GetValue(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBPairData
|
|
__del__ = lambda self : None;
|
|
OBPairData_swigregister = _openbabel.OBPairData_swigregister
|
|
OBPairData_swigregister(OBPairData)
|
|
|
|
class OBSetData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBSetData_swiginit(self,_openbabel.new_OBSetData(*args))
|
|
def Clone(*args): return _openbabel.OBSetData_Clone(*args)
|
|
def AddData(*args): return _openbabel.OBSetData_AddData(*args)
|
|
def SetData(*args): return _openbabel.OBSetData_SetData(*args)
|
|
def GetData(*args): return _openbabel.OBSetData_GetData(*args)
|
|
def GetBegin(*args): return _openbabel.OBSetData_GetBegin(*args)
|
|
def GetEnd(*args): return _openbabel.OBSetData_GetEnd(*args)
|
|
def DeleteData(*args): return _openbabel.OBSetData_DeleteData(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBSetData
|
|
__del__ = lambda self : None;
|
|
OBSetData_swigregister = _openbabel.OBSetData_swigregister
|
|
OBSetData_swigregister(OBSetData)
|
|
|
|
class OBVirtualBond(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def Clone(*args): return _openbabel.OBVirtualBond_Clone(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.OBVirtualBond_swiginit(self,_openbabel.new_OBVirtualBond(*args))
|
|
def GetBgn(*args): return _openbabel.OBVirtualBond_GetBgn(*args)
|
|
def GetEnd(*args): return _openbabel.OBVirtualBond_GetEnd(*args)
|
|
def GetOrder(*args): return _openbabel.OBVirtualBond_GetOrder(*args)
|
|
def GetStereo(*args): return _openbabel.OBVirtualBond_GetStereo(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBVirtualBond
|
|
__del__ = lambda self : None;
|
|
OBVirtualBond_swigregister = _openbabel.OBVirtualBond_swigregister
|
|
OBVirtualBond_swigregister(OBVirtualBond)
|
|
|
|
class OBRingData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBRingData_swiginit(self,_openbabel.new_OBRingData(*args))
|
|
def Clone(*args): return _openbabel.OBRingData_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBRingData
|
|
__del__ = lambda self : None;
|
|
def SetData(*args): return _openbabel.OBRingData_SetData(*args)
|
|
def PushBack(*args): return _openbabel.OBRingData_PushBack(*args)
|
|
def GetData(*args): return _openbabel.OBRingData_GetData(*args)
|
|
def BeginRings(*args): return _openbabel.OBRingData_BeginRings(*args)
|
|
def EndRings(*args): return _openbabel.OBRingData_EndRings(*args)
|
|
def BeginRing(*args): return _openbabel.OBRingData_BeginRing(*args)
|
|
def NextRing(*args): return _openbabel.OBRingData_NextRing(*args)
|
|
OBRingData_swigregister = _openbabel.OBRingData_swigregister
|
|
OBRingData_swigregister(OBRingData)
|
|
|
|
class OBUnitCell(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
Undefined = _openbabel.OBUnitCell_Undefined
|
|
Triclinic = _openbabel.OBUnitCell_Triclinic
|
|
Monoclinic = _openbabel.OBUnitCell_Monoclinic
|
|
Orthorhombic = _openbabel.OBUnitCell_Orthorhombic
|
|
Tetragonal = _openbabel.OBUnitCell_Tetragonal
|
|
Rhombohedral = _openbabel.OBUnitCell_Rhombohedral
|
|
Hexagonal = _openbabel.OBUnitCell_Hexagonal
|
|
Cubic = _openbabel.OBUnitCell_Cubic
|
|
def __init__(self, *args):
|
|
_openbabel.OBUnitCell_swiginit(self,_openbabel.new_OBUnitCell(*args))
|
|
def Clone(*args): return _openbabel.OBUnitCell_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBUnitCell
|
|
__del__ = lambda self : None;
|
|
def SetData(*args): return _openbabel.OBUnitCell_SetData(*args)
|
|
def SetOffset(*args): return _openbabel.OBUnitCell_SetOffset(*args)
|
|
def SetSpaceGroup(*args): return _openbabel.OBUnitCell_SetSpaceGroup(*args)
|
|
def SetLatticeType(*args): return _openbabel.OBUnitCell_SetLatticeType(*args)
|
|
def GetA(*args): return _openbabel.OBUnitCell_GetA(*args)
|
|
def GetB(*args): return _openbabel.OBUnitCell_GetB(*args)
|
|
def GetC(*args): return _openbabel.OBUnitCell_GetC(*args)
|
|
def GetAlpha(*args): return _openbabel.OBUnitCell_GetAlpha(*args)
|
|
def GetBeta(*args): return _openbabel.OBUnitCell_GetBeta(*args)
|
|
def GetGamma(*args): return _openbabel.OBUnitCell_GetGamma(*args)
|
|
def GetOffset(*args): return _openbabel.OBUnitCell_GetOffset(*args)
|
|
def GetSpaceGroup(*args): return _openbabel.OBUnitCell_GetSpaceGroup(*args)
|
|
def GetLatticeType(*args): return _openbabel.OBUnitCell_GetLatticeType(*args)
|
|
def GetCellVectors(*args): return _openbabel.OBUnitCell_GetCellVectors(*args)
|
|
def GetCellMatrix(*args): return _openbabel.OBUnitCell_GetCellMatrix(*args)
|
|
def GetOrthoMatrix(*args): return _openbabel.OBUnitCell_GetOrthoMatrix(*args)
|
|
def GetFractionalMatrix(*args): return _openbabel.OBUnitCell_GetFractionalMatrix(*args)
|
|
def GetSpaceGroupNumber(*args): return _openbabel.OBUnitCell_GetSpaceGroupNumber(*args)
|
|
def GetCellVolume(*args): return _openbabel.OBUnitCell_GetCellVolume(*args)
|
|
OBUnitCell_swigregister = _openbabel.OBUnitCell_swigregister
|
|
OBUnitCell_swigregister(OBUnitCell)
|
|
|
|
class OBConformerData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBConformerData_swiginit(self,_openbabel.new_OBConformerData(*args))
|
|
def Clone(*args): return _openbabel.OBConformerData_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBConformerData
|
|
__del__ = lambda self : None;
|
|
def SetDimension(*args): return _openbabel.OBConformerData_SetDimension(*args)
|
|
def SetEnergies(*args): return _openbabel.OBConformerData_SetEnergies(*args)
|
|
def SetForces(*args): return _openbabel.OBConformerData_SetForces(*args)
|
|
def SetVelocities(*args): return _openbabel.OBConformerData_SetVelocities(*args)
|
|
def SetDisplacements(*args): return _openbabel.OBConformerData_SetDisplacements(*args)
|
|
def SetData(*args): return _openbabel.OBConformerData_SetData(*args)
|
|
def GetDimension(*args): return _openbabel.OBConformerData_GetDimension(*args)
|
|
def GetEnergies(*args): return _openbabel.OBConformerData_GetEnergies(*args)
|
|
def GetForces(*args): return _openbabel.OBConformerData_GetForces(*args)
|
|
def GetVelocities(*args): return _openbabel.OBConformerData_GetVelocities(*args)
|
|
def GetDisplacements(*args): return _openbabel.OBConformerData_GetDisplacements(*args)
|
|
def GetData(*args): return _openbabel.OBConformerData_GetData(*args)
|
|
OBConformerData_swigregister = _openbabel.OBConformerData_swigregister
|
|
OBConformerData_swigregister(OBConformerData)
|
|
|
|
class OBSymmetryData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBSymmetryData_swiginit(self,_openbabel.new_OBSymmetryData(*args))
|
|
def Clone(*args): return _openbabel.OBSymmetryData_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBSymmetryData
|
|
__del__ = lambda self : None;
|
|
def SetData(*args): return _openbabel.OBSymmetryData_SetData(*args)
|
|
def SetPointGroup(*args): return _openbabel.OBSymmetryData_SetPointGroup(*args)
|
|
def SetSpaceGroup(*args): return _openbabel.OBSymmetryData_SetSpaceGroup(*args)
|
|
def GetPointGroup(*args): return _openbabel.OBSymmetryData_GetPointGroup(*args)
|
|
def GetSpaceGroup(*args): return _openbabel.OBSymmetryData_GetSpaceGroup(*args)
|
|
OBSymmetryData_swigregister = _openbabel.OBSymmetryData_swigregister
|
|
OBSymmetryData_swigregister(OBSymmetryData)
|
|
|
|
class OBTorsion(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBTorsion_swiginit(self,_openbabel.new_OBTorsion(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBTorsion
|
|
__del__ = lambda self : None;
|
|
def Clear(*args): return _openbabel.OBTorsion_Clear(*args)
|
|
def Empty(*args): return _openbabel.OBTorsion_Empty(*args)
|
|
def AddTorsion(*args): return _openbabel.OBTorsion_AddTorsion(*args)
|
|
def SetAngle(*args): return _openbabel.OBTorsion_SetAngle(*args)
|
|
def SetData(*args): return _openbabel.OBTorsion_SetData(*args)
|
|
def GetAngle(*args): return _openbabel.OBTorsion_GetAngle(*args)
|
|
def GetBondIdx(*args): return _openbabel.OBTorsion_GetBondIdx(*args)
|
|
def GetSize(*args): return _openbabel.OBTorsion_GetSize(*args)
|
|
def GetBC(*args): return _openbabel.OBTorsion_GetBC(*args)
|
|
def GetADs(*args): return _openbabel.OBTorsion_GetADs(*args)
|
|
def IsProtonRotor(*args): return _openbabel.OBTorsion_IsProtonRotor(*args)
|
|
OBTorsion_swigregister = _openbabel.OBTorsion_swigregister
|
|
OBTorsion_swigregister(OBTorsion)
|
|
|
|
class OBTorsionData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
def __init__(self): raise AttributeError, "No constructor defined"
|
|
__repr__ = _swig_repr
|
|
def Clone(*args): return _openbabel.OBTorsionData_Clone(*args)
|
|
def Clear(*args): return _openbabel.OBTorsionData_Clear(*args)
|
|
def GetData(*args): return _openbabel.OBTorsionData_GetData(*args)
|
|
def GetSize(*args): return _openbabel.OBTorsionData_GetSize(*args)
|
|
def SetData(*args): return _openbabel.OBTorsionData_SetData(*args)
|
|
def FillTorsionArray(*args): return _openbabel.OBTorsionData_FillTorsionArray(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBTorsionData
|
|
__del__ = lambda self : None;
|
|
OBTorsionData_swigregister = _openbabel.OBTorsionData_swigregister
|
|
OBTorsionData_swigregister(OBTorsionData)
|
|
|
|
class OBAngle(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBAngle_swiginit(self,_openbabel.new_OBAngle(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBAngle
|
|
__del__ = lambda self : None;
|
|
def __eq__(*args): return _openbabel.OBAngle___eq__(*args)
|
|
def Clear(*args): return _openbabel.OBAngle_Clear(*args)
|
|
def GetAngle(*args): return _openbabel.OBAngle_GetAngle(*args)
|
|
def SetAngle(*args): return _openbabel.OBAngle_SetAngle(*args)
|
|
def SetAtoms(*args): return _openbabel.OBAngle_SetAtoms(*args)
|
|
OBAngle_swigregister = _openbabel.OBAngle_swigregister
|
|
OBAngle_swigregister(OBAngle)
|
|
|
|
class OBAngleData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
def __init__(self): raise AttributeError, "No constructor defined"
|
|
__repr__ = _swig_repr
|
|
def Clone(*args): return _openbabel.OBAngleData_Clone(*args)
|
|
def Clear(*args): return _openbabel.OBAngleData_Clear(*args)
|
|
def FillAngleArray(*args): return _openbabel.OBAngleData_FillAngleArray(*args)
|
|
def SetData(*args): return _openbabel.OBAngleData_SetData(*args)
|
|
def GetSize(*args): return _openbabel.OBAngleData_GetSize(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBAngleData
|
|
__del__ = lambda self : None;
|
|
OBAngleData_swigregister = _openbabel.OBAngleData_swigregister
|
|
OBAngleData_swigregister(OBAngleData)
|
|
|
|
output = _openbabel.output
|
|
input = _openbabel.input
|
|
calcvolume = _openbabel.calcvolume
|
|
class OBChiralData(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def GetAtom4Refs(*args): return _openbabel.OBChiralData_GetAtom4Refs(*args)
|
|
def GetAtomRef(*args): return _openbabel.OBChiralData_GetAtomRef(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.OBChiralData_swiginit(self,_openbabel.new_OBChiralData(*args))
|
|
def Clone(*args): return _openbabel.OBChiralData_Clone(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBChiralData
|
|
__del__ = lambda self : None;
|
|
def Clear(*args): return _openbabel.OBChiralData_Clear(*args)
|
|
def SetAtom4Refs(*args): return _openbabel.OBChiralData_SetAtom4Refs(*args)
|
|
def AddAtomRef(*args): return _openbabel.OBChiralData_AddAtomRef(*args)
|
|
def GetSize(*args): return _openbabel.OBChiralData_GetSize(*args)
|
|
OBChiralData_swigregister = _openbabel.OBChiralData_swigregister
|
|
OBChiralData_swigregister(OBChiralData)
|
|
|
|
class OBSerialNums(OBGenericData):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBSerialNums_swiginit(self,_openbabel.new_OBSerialNums(*args))
|
|
def Clone(*args): return _openbabel.OBSerialNums_Clone(*args)
|
|
def GetData(*args): return _openbabel.OBSerialNums_GetData(*args)
|
|
def SetData(*args): return _openbabel.OBSerialNums_SetData(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBSerialNums
|
|
__del__ = lambda self : None;
|
|
OBSerialNums_swigregister = _openbabel.OBSerialNums_swigregister
|
|
OBSerialNums_swigregister(OBSerialNums)
|
|
|
|
class OBBase(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
__swig_destroy__ = _openbabel.delete_OBBase
|
|
__del__ = lambda self : None;
|
|
def Clear(*args): return _openbabel.OBBase_Clear(*args)
|
|
def DoTransformations(*args): return _openbabel.OBBase_DoTransformations(*args)
|
|
ClassDescription = staticmethod(_openbabel.OBBase_ClassDescription)
|
|
def HasData(*args): return _openbabel.OBBase_HasData(*args)
|
|
def DeleteData(*args): return _openbabel.OBBase_DeleteData(*args)
|
|
def SetData(*args): return _openbabel.OBBase_SetData(*args)
|
|
def DataSize(*args): return _openbabel.OBBase_DataSize(*args)
|
|
def GetData(*args): return _openbabel.OBBase_GetData(*args)
|
|
def BeginData(*args): return _openbabel.OBBase_BeginData(*args)
|
|
def EndData(*args): return _openbabel.OBBase_EndData(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.OBBase_swiginit(self,_openbabel.new_OBBase(*args))
|
|
OBBase_swigregister = _openbabel.OBBase_swigregister
|
|
OBBase_swigregister(OBBase)
|
|
OBBase_ClassDescription = _openbabel.OBBase_ClassDescription
|
|
|
|
class pluginiterFingerprint(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def Register(*args): return _openbabel.pluginiterFingerprint_Register(*args)
|
|
def FindType(*args): return _openbabel.pluginiterFingerprint_FindType(*args)
|
|
def FindDefaultType(*args): return _openbabel.pluginiterFingerprint_FindDefaultType(*args)
|
|
def ID(*args): return _openbabel.pluginiterFingerprint_ID(*args)
|
|
def Description(*args): return _openbabel.pluginiterFingerprint_Description(*args)
|
|
def ToStart(*args): return _openbabel.pluginiterFingerprint_ToStart(*args)
|
|
def inc(*args): return _openbabel.pluginiterFingerprint_inc(*args)
|
|
def good(*args): return _openbabel.pluginiterFingerprint_good(*args)
|
|
def deref(*args): return _openbabel.pluginiterFingerprint_deref(*args)
|
|
def __ref__(*args): return _openbabel.pluginiterFingerprint___ref__(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.pluginiterFingerprint_swiginit(self,_openbabel.new_pluginiterFingerprint(*args))
|
|
__swig_destroy__ = _openbabel.delete_pluginiterFingerprint
|
|
__del__ = lambda self : None;
|
|
def _Iter(*args): return _openbabel.pluginiterFingerprint__Iter(*args)
|
|
def SetBit(*args): return _openbabel.pluginiterFingerprint_SetBit(*args)
|
|
def Fold(*args): return _openbabel.pluginiterFingerprint_Fold(*args)
|
|
def GetFingerprint(*args): return _openbabel.pluginiterFingerprint_GetFingerprint(*args)
|
|
def Flags(*args): return _openbabel.pluginiterFingerprint_Flags(*args)
|
|
def Tanimoto(*args): return _openbabel.pluginiterFingerprint_Tanimoto(*args)
|
|
def Getbitsperint(*args): return _openbabel.pluginiterFingerprint_Getbitsperint(*args)
|
|
def FindFingerprint(*args): return _openbabel.pluginiterFingerprint_FindFingerprint(*args)
|
|
pluginiterFingerprint_swigregister = _openbabel.pluginiterFingerprint_swigregister
|
|
pluginiterFingerprint_swigregister(pluginiterFingerprint)
|
|
|
|
obError = _openbabel.obError
|
|
obWarning = _openbabel.obWarning
|
|
obInfo = _openbabel.obInfo
|
|
obAuditMsg = _openbabel.obAuditMsg
|
|
obDebug = _openbabel.obDebug
|
|
class OBError(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBError_swiginit(self,_openbabel.new_OBError(*args))
|
|
def message(*args): return _openbabel.OBError_message(*args)
|
|
def GetMethod(*args): return _openbabel.OBError_GetMethod(*args)
|
|
def GetError(*args): return _openbabel.OBError_GetError(*args)
|
|
def GetExplanation(*args): return _openbabel.OBError_GetExplanation(*args)
|
|
def GetPossibleCause(*args): return _openbabel.OBError_GetPossibleCause(*args)
|
|
def GetSuggestedRemedy(*args): return _openbabel.OBError_GetSuggestedRemedy(*args)
|
|
def GetLevel(*args): return _openbabel.OBError_GetLevel(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBError
|
|
__del__ = lambda self : None;
|
|
OBError_swigregister = _openbabel.OBError_swigregister
|
|
OBError_swigregister(OBError)
|
|
|
|
class OBMessageHandler(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBMessageHandler_swiginit(self,_openbabel.new_OBMessageHandler(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBMessageHandler
|
|
__del__ = lambda self : None;
|
|
def ThrowError(*args): return _openbabel.OBMessageHandler_ThrowError(*args)
|
|
def GetMessagesOfLevel(*args): return _openbabel.OBMessageHandler_GetMessagesOfLevel(*args)
|
|
def StartLogging(*args): return _openbabel.OBMessageHandler_StartLogging(*args)
|
|
def StopLogging(*args): return _openbabel.OBMessageHandler_StopLogging(*args)
|
|
def SetMaxLogEntries(*args): return _openbabel.OBMessageHandler_SetMaxLogEntries(*args)
|
|
def GetMaxLogEntries(*args): return _openbabel.OBMessageHandler_GetMaxLogEntries(*args)
|
|
def ClearLog(*args): return _openbabel.OBMessageHandler_ClearLog(*args)
|
|
def SetOutputLevel(*args): return _openbabel.OBMessageHandler_SetOutputLevel(*args)
|
|
def GetOutputLevel(*args): return _openbabel.OBMessageHandler_GetOutputLevel(*args)
|
|
def SetOutputStream(*args): return _openbabel.OBMessageHandler_SetOutputStream(*args)
|
|
def GetOutputStream(*args): return _openbabel.OBMessageHandler_GetOutputStream(*args)
|
|
def StartErrorWrap(*args): return _openbabel.OBMessageHandler_StartErrorWrap(*args)
|
|
def StopErrorWrap(*args): return _openbabel.OBMessageHandler_StopErrorWrap(*args)
|
|
def GetErrorMessageCount(*args): return _openbabel.OBMessageHandler_GetErrorMessageCount(*args)
|
|
def GetWarningMessageCount(*args): return _openbabel.OBMessageHandler_GetWarningMessageCount(*args)
|
|
def GetInfoMessageCount(*args): return _openbabel.OBMessageHandler_GetInfoMessageCount(*args)
|
|
def GetAuditMessageCount(*args): return _openbabel.OBMessageHandler_GetAuditMessageCount(*args)
|
|
def GetDebugMessageCount(*args): return _openbabel.OBMessageHandler_GetDebugMessageCount(*args)
|
|
def GetMessageSummary(*args): return _openbabel.OBMessageHandler_GetMessageSummary(*args)
|
|
OBMessageHandler_swigregister = _openbabel.OBMessageHandler_swigregister
|
|
OBMessageHandler_swigregister(OBMessageHandler)
|
|
|
|
class obLogBuf(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
__swig_destroy__ = _openbabel.delete_obLogBuf
|
|
__del__ = lambda self : None;
|
|
def __init__(self, *args):
|
|
_openbabel.obLogBuf_swiginit(self,_openbabel.new_obLogBuf(*args))
|
|
obLogBuf_swigregister = _openbabel.obLogBuf_swigregister
|
|
obLogBuf_swigregister(obLogBuf)
|
|
|
|
class OBFormat(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
def __init__(self): raise AttributeError, "No constructor defined"
|
|
__repr__ = _swig_repr
|
|
def ReadMolecule(*args): return _openbabel.OBFormat_ReadMolecule(*args)
|
|
def ReadChemObject(*args): return _openbabel.OBFormat_ReadChemObject(*args)
|
|
def WriteMolecule(*args): return _openbabel.OBFormat_WriteMolecule(*args)
|
|
def WriteChemObject(*args): return _openbabel.OBFormat_WriteChemObject(*args)
|
|
def Description(*args): return _openbabel.OBFormat_Description(*args)
|
|
def TargetClassDescription(*args): return _openbabel.OBFormat_TargetClassDescription(*args)
|
|
def GetType(*args): return _openbabel.OBFormat_GetType(*args)
|
|
def SpecificationURL(*args): return _openbabel.OBFormat_SpecificationURL(*args)
|
|
def GetMIMEType(*args): return _openbabel.OBFormat_GetMIMEType(*args)
|
|
def Flags(*args): return _openbabel.OBFormat_Flags(*args)
|
|
def SkipObjects(*args): return _openbabel.OBFormat_SkipObjects(*args)
|
|
def MakeNewInstance(*args): return _openbabel.OBFormat_MakeNewInstance(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBFormat
|
|
__del__ = lambda self : None;
|
|
OBFormat_swigregister = _openbabel.OBFormat_swigregister
|
|
OBFormat_swigregister(OBFormat)
|
|
|
|
class CharPtrLess(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __call__(*args): return _openbabel.CharPtrLess___call__(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.CharPtrLess_swiginit(self,_openbabel.new_CharPtrLess(*args))
|
|
__swig_destroy__ = _openbabel.delete_CharPtrLess
|
|
__del__ = lambda self : None;
|
|
CharPtrLess_swigregister = _openbabel.CharPtrLess_swigregister
|
|
CharPtrLess_swigregister(CharPtrLess)
|
|
|
|
class OBConversion(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBConversion_swiginit(self,_openbabel.new_OBConversion(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBConversion
|
|
__del__ = lambda self : None;
|
|
RegisterFormat = staticmethod(_openbabel.OBConversion_RegisterFormat)
|
|
FindFormat = staticmethod(_openbabel.OBConversion_FindFormat)
|
|
FormatFromExt = staticmethod(_openbabel.OBConversion_FormatFromExt)
|
|
FormatFromMIME = staticmethod(_openbabel.OBConversion_FormatFromMIME)
|
|
GetNextFormat = staticmethod(_openbabel.OBConversion_GetNextFormat)
|
|
Description = staticmethod(_openbabel.OBConversion_Description)
|
|
def GetInStream(*args): return _openbabel.OBConversion_GetInStream(*args)
|
|
def GetOutStream(*args): return _openbabel.OBConversion_GetOutStream(*args)
|
|
def SetInStream(*args): return _openbabel.OBConversion_SetInStream(*args)
|
|
def SetOutStream(*args): return _openbabel.OBConversion_SetOutStream(*args)
|
|
def SetInAndOutFormats(*args): return _openbabel.OBConversion_SetInAndOutFormats(*args)
|
|
def SetInFormat(*args): return _openbabel.OBConversion_SetInFormat(*args)
|
|
def SetOutFormat(*args): return _openbabel.OBConversion_SetOutFormat(*args)
|
|
def GetInFormat(*args): return _openbabel.OBConversion_GetInFormat(*args)
|
|
def GetOutFormat(*args): return _openbabel.OBConversion_GetOutFormat(*args)
|
|
def GetInFilename(*args): return _openbabel.OBConversion_GetInFilename(*args)
|
|
def GetInPos(*args): return _openbabel.OBConversion_GetInPos(*args)
|
|
def GetInLen(*args): return _openbabel.OBConversion_GetInLen(*args)
|
|
def GetTitle(*args): return _openbabel.OBConversion_GetTitle(*args)
|
|
def GetAuxConv(*args): return _openbabel.OBConversion_GetAuxConv(*args)
|
|
def SetAuxConv(*args): return _openbabel.OBConversion_SetAuxConv(*args)
|
|
INOPTIONS = _openbabel.OBConversion_INOPTIONS
|
|
OUTOPTIONS = _openbabel.OBConversion_OUTOPTIONS
|
|
GENOPTIONS = _openbabel.OBConversion_GENOPTIONS
|
|
def IsOption(*args): return _openbabel.OBConversion_IsOption(*args)
|
|
def GetOptions(*args): return _openbabel.OBConversion_GetOptions(*args)
|
|
def AddOption(*args): return _openbabel.OBConversion_AddOption(*args)
|
|
def RemoveOption(*args): return _openbabel.OBConversion_RemoveOption(*args)
|
|
def SetOptions(*args): return _openbabel.OBConversion_SetOptions(*args)
|
|
RegisterOptionParam = staticmethod(_openbabel.OBConversion_RegisterOptionParam)
|
|
GetOptionParams = staticmethod(_openbabel.OBConversion_GetOptionParams)
|
|
def Convert(*args): return _openbabel.OBConversion_Convert(*args)
|
|
def FullConvert(*args): return _openbabel.OBConversion_FullConvert(*args)
|
|
def AddChemObject(*args): return _openbabel.OBConversion_AddChemObject(*args)
|
|
def GetChemObject(*args): return _openbabel.OBConversion_GetChemObject(*args)
|
|
def IsLast(*args): return _openbabel.OBConversion_IsLast(*args)
|
|
def IsFirstInput(*args): return _openbabel.OBConversion_IsFirstInput(*args)
|
|
def GetOutputIndex(*args): return _openbabel.OBConversion_GetOutputIndex(*args)
|
|
def SetOutputIndex(*args): return _openbabel.OBConversion_SetOutputIndex(*args)
|
|
def SetMoreFilesToCome(*args): return _openbabel.OBConversion_SetMoreFilesToCome(*args)
|
|
def SetOneObjectOnly(*args): return _openbabel.OBConversion_SetOneObjectOnly(*args)
|
|
GetDefaultFormat = staticmethod(_openbabel.OBConversion_GetDefaultFormat)
|
|
def Write(*args): return _openbabel.OBConversion_Write(*args)
|
|
def WriteString(*args): return _openbabel.OBConversion_WriteString(*args)
|
|
def WriteFile(*args): return _openbabel.OBConversion_WriteFile(*args)
|
|
def CloseOutFile(*args): return _openbabel.OBConversion_CloseOutFile(*args)
|
|
def Read(*args): return _openbabel.OBConversion_Read(*args)
|
|
def ReadString(*args): return _openbabel.OBConversion_ReadString(*args)
|
|
def ReadFile(*args): return _openbabel.OBConversion_ReadFile(*args)
|
|
BatchFileName = staticmethod(_openbabel.OBConversion_BatchFileName)
|
|
IncrementedFileName = staticmethod(_openbabel.OBConversion_IncrementedFileName)
|
|
OBConversion_swigregister = _openbabel.OBConversion_swigregister
|
|
OBConversion_swigregister(OBConversion)
|
|
OBConversion_RegisterFormat = _openbabel.OBConversion_RegisterFormat
|
|
OBConversion_FindFormat = _openbabel.OBConversion_FindFormat
|
|
OBConversion_FormatFromExt = _openbabel.OBConversion_FormatFromExt
|
|
OBConversion_FormatFromMIME = _openbabel.OBConversion_FormatFromMIME
|
|
OBConversion_GetNextFormat = _openbabel.OBConversion_GetNextFormat
|
|
OBConversion_Description = _openbabel.OBConversion_Description
|
|
OBConversion_RegisterOptionParam = _openbabel.OBConversion_RegisterOptionParam
|
|
OBConversion_GetOptionParams = _openbabel.OBConversion_GetOptionParams
|
|
OBConversion_GetDefaultFormat = _openbabel.OBConversion_GetDefaultFormat
|
|
OBConversion_BatchFileName = _openbabel.OBConversion_BatchFileName
|
|
OBConversion_IncrementedFileName = _openbabel.OBConversion_IncrementedFileName
|
|
|
|
NOTREADABLE = _openbabel.NOTREADABLE
|
|
READONEONLY = _openbabel.READONEONLY
|
|
READBINARY = _openbabel.READBINARY
|
|
ZEROATOMSOK = _openbabel.ZEROATOMSOK
|
|
NOTWRITABLE = _openbabel.NOTWRITABLE
|
|
WRITEONEONLY = _openbabel.WRITEONEONLY
|
|
WRITEBINARY = _openbabel.WRITEBINARY
|
|
READXML = _openbabel.READXML
|
|
DEFAULTFORMAT = _openbabel.DEFAULTFORMAT
|
|
class OBResidue(OBBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBResidue_swiginit(self,_openbabel.new_OBResidue(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBResidue
|
|
__del__ = lambda self : None;
|
|
def AddAtom(*args): return _openbabel.OBResidue_AddAtom(*args)
|
|
def InsertAtom(*args): return _openbabel.OBResidue_InsertAtom(*args)
|
|
def RemoveAtom(*args): return _openbabel.OBResidue_RemoveAtom(*args)
|
|
def Clear(*args): return _openbabel.OBResidue_Clear(*args)
|
|
def SetName(*args): return _openbabel.OBResidue_SetName(*args)
|
|
def SetNum(*args): return _openbabel.OBResidue_SetNum(*args)
|
|
def SetChain(*args): return _openbabel.OBResidue_SetChain(*args)
|
|
def SetChainNum(*args): return _openbabel.OBResidue_SetChainNum(*args)
|
|
def SetIdx(*args): return _openbabel.OBResidue_SetIdx(*args)
|
|
def SetAtomID(*args): return _openbabel.OBResidue_SetAtomID(*args)
|
|
def SetHetAtom(*args): return _openbabel.OBResidue_SetHetAtom(*args)
|
|
def SetSerialNum(*args): return _openbabel.OBResidue_SetSerialNum(*args)
|
|
def GetName(*args): return _openbabel.OBResidue_GetName(*args)
|
|
def GetNum(*args): return _openbabel.OBResidue_GetNum(*args)
|
|
def GetNumAtoms(*args): return _openbabel.OBResidue_GetNumAtoms(*args)
|
|
def GetChain(*args): return _openbabel.OBResidue_GetChain(*args)
|
|
def GetChainNum(*args): return _openbabel.OBResidue_GetChainNum(*args)
|
|
def GetIdx(*args): return _openbabel.OBResidue_GetIdx(*args)
|
|
def GetResKey(*args): return _openbabel.OBResidue_GetResKey(*args)
|
|
def GetAtoms(*args): return _openbabel.OBResidue_GetAtoms(*args)
|
|
def GetBonds(*args): return _openbabel.OBResidue_GetBonds(*args)
|
|
def GetAtomID(*args): return _openbabel.OBResidue_GetAtomID(*args)
|
|
def GetSerialNum(*args): return _openbabel.OBResidue_GetSerialNum(*args)
|
|
def GetAminoAcidProperty(*args): return _openbabel.OBResidue_GetAminoAcidProperty(*args)
|
|
def GetAtomProperty(*args): return _openbabel.OBResidue_GetAtomProperty(*args)
|
|
def GetResidueProperty(*args): return _openbabel.OBResidue_GetResidueProperty(*args)
|
|
def IsHetAtom(*args): return _openbabel.OBResidue_IsHetAtom(*args)
|
|
def IsResidueType(*args): return _openbabel.OBResidue_IsResidueType(*args)
|
|
def BeginAtoms(*args): return _openbabel.OBResidue_BeginAtoms(*args)
|
|
def EndAtoms(*args): return _openbabel.OBResidue_EndAtoms(*args)
|
|
def BeginAtom(*args): return _openbabel.OBResidue_BeginAtom(*args)
|
|
def NextAtom(*args): return _openbabel.OBResidue_NextAtom(*args)
|
|
OBResidue_swigregister = _openbabel.OBResidue_swigregister
|
|
OBResidue_swigregister(OBResidue)
|
|
|
|
MAXSETNO = _openbabel.MAXSETNO
|
|
MAXELEM = _openbabel.MAXELEM
|
|
MINELEM = _openbabel.MINELEM
|
|
MAXRES = _openbabel.MAXRES
|
|
MINRES = _openbabel.MINRES
|
|
AA_ALA = _openbabel.AA_ALA
|
|
AA_GLY = _openbabel.AA_GLY
|
|
AA_LEU = _openbabel.AA_LEU
|
|
AA_SER = _openbabel.AA_SER
|
|
AA_VAL = _openbabel.AA_VAL
|
|
AA_THR = _openbabel.AA_THR
|
|
AA_LYS = _openbabel.AA_LYS
|
|
AA_ASP = _openbabel.AA_ASP
|
|
AA_ILE = _openbabel.AA_ILE
|
|
AA_ASN = _openbabel.AA_ASN
|
|
AA_GLU = _openbabel.AA_GLU
|
|
AA_PRO = _openbabel.AA_PRO
|
|
AA_ARG = _openbabel.AA_ARG
|
|
AA_PHE = _openbabel.AA_PHE
|
|
AA_GLN = _openbabel.AA_GLN
|
|
AA_TYR = _openbabel.AA_TYR
|
|
AA_HIS = _openbabel.AA_HIS
|
|
AA_CYS = _openbabel.AA_CYS
|
|
AA_MET = _openbabel.AA_MET
|
|
AA_TRP = _openbabel.AA_TRP
|
|
ACIDIC = _openbabel.ACIDIC
|
|
ACYCLIC = _openbabel.ACYCLIC
|
|
ALIPHATIC = _openbabel.ALIPHATIC
|
|
AROMATIC = _openbabel.AROMATIC
|
|
BASIC = _openbabel.BASIC
|
|
BURIED = _openbabel.BURIED
|
|
CHARGED = _openbabel.CHARGED
|
|
CYCLIC = _openbabel.CYCLIC
|
|
HYDROPHOBIC = _openbabel.HYDROPHOBIC
|
|
LARGE = _openbabel.LARGE
|
|
MEDIUM = _openbabel.MEDIUM
|
|
NEGATIVE = _openbabel.NEGATIVE
|
|
NEUTRAL = _openbabel.NEUTRAL
|
|
POLAR = _openbabel.POLAR
|
|
POSITIVE = _openbabel.POSITIVE
|
|
SMALL = _openbabel.SMALL
|
|
SURFACE = _openbabel.SURFACE
|
|
ALPHA_CARBON = _openbabel.ALPHA_CARBON
|
|
AMINO_BACKBONE = _openbabel.AMINO_BACKBONE
|
|
BACKBONE = _openbabel.BACKBONE
|
|
CYSTEINE_SULPHUR = _openbabel.CYSTEINE_SULPHUR
|
|
LIGAND = _openbabel.LIGAND
|
|
NUCLEIC_BACKBONE = _openbabel.NUCLEIC_BACKBONE
|
|
SHAPELY_BACKBONE = _openbabel.SHAPELY_BACKBONE
|
|
SHAPELY_SPECIAL = _openbabel.SHAPELY_SPECIAL
|
|
SIDECHAIN = _openbabel.SIDECHAIN
|
|
SUGAR_PHOSPHATE = _openbabel.SUGAR_PHOSPHATE
|
|
ALA = _openbabel.ALA
|
|
GLY = _openbabel.GLY
|
|
LEU = _openbabel.LEU
|
|
SER = _openbabel.SER
|
|
VAL = _openbabel.VAL
|
|
THR = _openbabel.THR
|
|
LYS = _openbabel.LYS
|
|
ASP = _openbabel.ASP
|
|
ILE = _openbabel.ILE
|
|
ASN = _openbabel.ASN
|
|
GLU = _openbabel.GLU
|
|
PRO = _openbabel.PRO
|
|
ARG = _openbabel.ARG
|
|
PHE = _openbabel.PHE
|
|
GLN = _openbabel.GLN
|
|
TYR = _openbabel.TYR
|
|
HIS = _openbabel.HIS
|
|
CYS = _openbabel.CYS
|
|
MET = _openbabel.MET
|
|
TRP = _openbabel.TRP
|
|
ASX = _openbabel.ASX
|
|
GLX = _openbabel.GLX
|
|
PCA = _openbabel.PCA
|
|
HYP = _openbabel.HYP
|
|
A = _openbabel.A
|
|
C = _openbabel.C
|
|
G = _openbabel.G
|
|
T = _openbabel.T
|
|
U = _openbabel.U
|
|
UPLUS = _openbabel.UPLUS
|
|
I = _openbabel.I
|
|
_1MA = _openbabel._1MA
|
|
_5MC = _openbabel._5MC
|
|
OMC = _openbabel.OMC
|
|
_1MG = _openbabel._1MG
|
|
_2MG = _openbabel._2MG
|
|
M2G = _openbabel.M2G
|
|
_7MG = _openbabel._7MG
|
|
OMG = _openbabel.OMG
|
|
YG = _openbabel.YG
|
|
H2U = _openbabel.H2U
|
|
_5MU = _openbabel._5MU
|
|
PSU = _openbabel.PSU
|
|
UNK = _openbabel.UNK
|
|
ACE = _openbabel.ACE
|
|
FOR = _openbabel.FOR
|
|
HOH = _openbabel.HOH
|
|
DOD = _openbabel.DOD
|
|
SO4 = _openbabel.SO4
|
|
PO4 = _openbabel.PO4
|
|
NAD = _openbabel.NAD
|
|
COA = _openbabel.COA
|
|
NAP = _openbabel.NAP
|
|
NDP = _openbabel.NDP
|
|
AMINO = _openbabel.AMINO
|
|
AMINO_NUCLEO = _openbabel.AMINO_NUCLEO
|
|
COENZYME = _openbabel.COENZYME
|
|
ION = _openbabel.ION
|
|
NUCLEO = _openbabel.NUCLEO
|
|
PROTEIN = _openbabel.PROTEIN
|
|
PURINE = _openbabel.PURINE
|
|
PYRIMIDINE = _openbabel.PYRIMIDINE
|
|
SOLVENT = _openbabel.SOLVENT
|
|
WATER = _openbabel.WATER
|
|
class OBInternalCoord(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
_a = _swig_property(_openbabel.OBInternalCoord__a_get, _openbabel.OBInternalCoord__a_set)
|
|
_b = _swig_property(_openbabel.OBInternalCoord__b_get, _openbabel.OBInternalCoord__b_set)
|
|
_c = _swig_property(_openbabel.OBInternalCoord__c_get, _openbabel.OBInternalCoord__c_set)
|
|
_dst = _swig_property(_openbabel.OBInternalCoord__dst_get, _openbabel.OBInternalCoord__dst_set)
|
|
_ang = _swig_property(_openbabel.OBInternalCoord__ang_get, _openbabel.OBInternalCoord__ang_set)
|
|
_tor = _swig_property(_openbabel.OBInternalCoord__tor_get, _openbabel.OBInternalCoord__tor_set)
|
|
def __init__(self, *args):
|
|
_openbabel.OBInternalCoord_swiginit(self,_openbabel.new_OBInternalCoord(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBInternalCoord
|
|
__del__ = lambda self : None;
|
|
OBInternalCoord_swigregister = _openbabel.OBInternalCoord_swigregister
|
|
OBInternalCoord_swigregister(OBInternalCoord)
|
|
|
|
OB_4RING_ATOM = _openbabel.OB_4RING_ATOM
|
|
OB_3RING_ATOM = _openbabel.OB_3RING_ATOM
|
|
OB_AROMATIC_ATOM = _openbabel.OB_AROMATIC_ATOM
|
|
OB_RING_ATOM = _openbabel.OB_RING_ATOM
|
|
OB_CSTEREO_ATOM = _openbabel.OB_CSTEREO_ATOM
|
|
OB_ACSTEREO_ATOM = _openbabel.OB_ACSTEREO_ATOM
|
|
OB_DONOR_ATOM = _openbabel.OB_DONOR_ATOM
|
|
OB_ACCEPTOR_ATOM = _openbabel.OB_ACCEPTOR_ATOM
|
|
OB_CHIRAL_ATOM = _openbabel.OB_CHIRAL_ATOM
|
|
OB_POS_CHIRAL_ATOM = _openbabel.OB_POS_CHIRAL_ATOM
|
|
OB_NEG_CHIRAL_ATOM = _openbabel.OB_NEG_CHIRAL_ATOM
|
|
OB_ATOM_HAS_NO_H = _openbabel.OB_ATOM_HAS_NO_H
|
|
class OBAtom(OBBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
Visit = _swig_property(_openbabel.OBAtom_Visit_get, _openbabel.OBAtom_Visit_set)
|
|
def __init__(self, *args):
|
|
_openbabel.OBAtom_swiginit(self,_openbabel.new_OBAtom(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBAtom
|
|
__del__ = lambda self : None;
|
|
def Clear(*args): return _openbabel.OBAtom_Clear(*args)
|
|
def SetIdx(*args): return _openbabel.OBAtom_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel.OBAtom_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel.OBAtom_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel.OBAtom_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel.OBAtom_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel.OBAtom_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel.OBAtom_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel.OBAtom_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel.OBAtom_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel.OBAtom_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel.OBAtom_SetPartialCharge(*args)
|
|
def SetCoordPtr(*args): return _openbabel.OBAtom_SetCoordPtr(*args)
|
|
def SetVector(*args): return _openbabel.OBAtom_SetVector(*args)
|
|
def SetResidue(*args): return _openbabel.OBAtom_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel.OBAtom_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel.OBAtom_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel.OBAtom_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel.OBAtom_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel.OBAtom_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel.OBAtom_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel.OBAtom_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel.OBAtom_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel.OBAtom_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel.OBAtom_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel.OBAtom_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel.OBAtom_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel.OBAtom_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel.OBAtom_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel.OBAtom_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel.OBAtom_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel.OBAtom_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel.OBAtom_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel.OBAtom_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel.OBAtom_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel.OBAtom_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel.OBAtom_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel.OBAtom_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel.OBAtom_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel.OBAtom_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel.OBAtom_GetType(*args)
|
|
def GetX(*args): return _openbabel.OBAtom_GetX(*args)
|
|
def GetY(*args): return _openbabel.OBAtom_GetY(*args)
|
|
def GetZ(*args): return _openbabel.OBAtom_GetZ(*args)
|
|
def x(*args): return _openbabel.OBAtom_x(*args)
|
|
def y(*args): return _openbabel.OBAtom_y(*args)
|
|
def z(*args): return _openbabel.OBAtom_z(*args)
|
|
def GetCoordinate(*args): return _openbabel.OBAtom_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel.OBAtom_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel.OBAtom_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel.OBAtom_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel.OBAtom_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel.OBAtom_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel.OBAtom_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel.OBAtom_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel.OBAtom_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel.OBAtom_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel.OBAtom_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel.OBAtom_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel.OBAtom_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel.OBAtom_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel.OBAtom_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel.OBAtom_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel.OBAtom_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel.OBAtom_AddResidue(*args)
|
|
def DeleteResidue(*args): return _openbabel.OBAtom_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel.OBAtom_AddBond(*args)
|
|
def InsertBond(*args): return _openbabel.OBAtom_InsertBond(*args)
|
|
def DeleteBond(*args): return _openbabel.OBAtom_DeleteBond(*args)
|
|
def ClearBond(*args): return _openbabel.OBAtom_ClearBond(*args)
|
|
def HtoMethyl(*args): return _openbabel.OBAtom_HtoMethyl(*args)
|
|
def SetHybAndGeom(*args): return _openbabel.OBAtom_SetHybAndGeom(*args)
|
|
def ForceNoH(*args): return _openbabel.OBAtom_ForceNoH(*args)
|
|
def HasNoHForced(*args): return _openbabel.OBAtom_HasNoHForced(*args)
|
|
def CountFreeOxygens(*args): return _openbabel.OBAtom_CountFreeOxygens(*args)
|
|
def ImplicitHydrogenCount(*args): return _openbabel.OBAtom_ImplicitHydrogenCount(*args)
|
|
def ExplicitHydrogenCount(*args): return _openbabel.OBAtom_ExplicitHydrogenCount(*args)
|
|
def MemberOfRingCount(*args): return _openbabel.OBAtom_MemberOfRingCount(*args)
|
|
def MemberOfRingSize(*args): return _openbabel.OBAtom_MemberOfRingSize(*args)
|
|
def CountRingBonds(*args): return _openbabel.OBAtom_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel.OBAtom_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel.OBAtom_AverageBondAngle(*args)
|
|
def BOSum(*args): return _openbabel.OBAtom_BOSum(*args)
|
|
def KBOSum(*args): return _openbabel.OBAtom_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel.OBAtom_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel.OBAtom_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel.OBAtom_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel.OBAtom_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel.OBAtom_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel.OBAtom_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel.OBAtom_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel.OBAtom_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel.OBAtom_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel.OBAtom_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel.OBAtom_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel.OBAtom_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel.OBAtom_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel.OBAtom_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel.OBAtom_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel.OBAtom_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel.OBAtom_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel.OBAtom_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel.OBAtom_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel.OBAtom_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel.OBAtom_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel.OBAtom_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel.OBAtom_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel.OBAtom_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel.OBAtom_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel.OBAtom_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel.OBAtom_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel.OBAtom_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel.OBAtom_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel.OBAtom_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel.OBAtom_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel.OBAtom_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel.OBAtom_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel.OBAtom_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel.OBAtom_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel.OBAtom_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel.OBAtom_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel.OBAtom_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel.OBAtom_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel.OBAtom_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel.OBAtom_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel.OBAtom_MatchesSMARTS(*args)
|
|
OBAtom_swigregister = _openbabel.OBAtom_swigregister
|
|
OBAtom_swigregister(OBAtom)
|
|
|
|
OB_AROMATIC_BOND = _openbabel.OB_AROMATIC_BOND
|
|
OB_WEDGE_BOND = _openbabel.OB_WEDGE_BOND
|
|
OB_HASH_BOND = _openbabel.OB_HASH_BOND
|
|
OB_RING_BOND = _openbabel.OB_RING_BOND
|
|
OB_TORUP_BOND = _openbabel.OB_TORUP_BOND
|
|
OB_TORDOWN_BOND = _openbabel.OB_TORDOWN_BOND
|
|
OB_KSINGLE_BOND = _openbabel.OB_KSINGLE_BOND
|
|
OB_KDOUBLE_BOND = _openbabel.OB_KDOUBLE_BOND
|
|
OB_KTRIPLE_BOND = _openbabel.OB_KTRIPLE_BOND
|
|
OB_CLOSURE_BOND = _openbabel.OB_CLOSURE_BOND
|
|
class OBBond(OBBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
Visit = _swig_property(_openbabel.OBBond_Visit_get, _openbabel.OBBond_Visit_set)
|
|
def __init__(self, *args):
|
|
_openbabel.OBBond_swiginit(self,_openbabel.new_OBBond(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBBond
|
|
__del__ = lambda self : None;
|
|
def SetIdx(*args): return _openbabel.OBBond_SetIdx(*args)
|
|
def SetBO(*args): return _openbabel.OBBond_SetBO(*args)
|
|
def SetBondOrder(*args): return _openbabel.OBBond_SetBondOrder(*args)
|
|
def SetBegin(*args): return _openbabel.OBBond_SetBegin(*args)
|
|
def SetEnd(*args): return _openbabel.OBBond_SetEnd(*args)
|
|
def SetParent(*args): return _openbabel.OBBond_SetParent(*args)
|
|
def SetLength(*args): return _openbabel.OBBond_SetLength(*args)
|
|
def Set(*args): return _openbabel.OBBond_Set(*args)
|
|
def SetKSingle(*args): return _openbabel.OBBond_SetKSingle(*args)
|
|
def SetKDouble(*args): return _openbabel.OBBond_SetKDouble(*args)
|
|
def SetKTriple(*args): return _openbabel.OBBond_SetKTriple(*args)
|
|
def SetAromatic(*args): return _openbabel.OBBond_SetAromatic(*args)
|
|
def SetHash(*args): return _openbabel.OBBond_SetHash(*args)
|
|
def SetWedge(*args): return _openbabel.OBBond_SetWedge(*args)
|
|
def SetUp(*args): return _openbabel.OBBond_SetUp(*args)
|
|
def SetDown(*args): return _openbabel.OBBond_SetDown(*args)
|
|
def SetInRing(*args): return _openbabel.OBBond_SetInRing(*args)
|
|
def SetClosure(*args): return _openbabel.OBBond_SetClosure(*args)
|
|
def UnsetHash(*args): return _openbabel.OBBond_UnsetHash(*args)
|
|
def UnsetWedge(*args): return _openbabel.OBBond_UnsetWedge(*args)
|
|
def UnsetUp(*args): return _openbabel.OBBond_UnsetUp(*args)
|
|
def UnsetDown(*args): return _openbabel.OBBond_UnsetDown(*args)
|
|
def UnsetAromatic(*args): return _openbabel.OBBond_UnsetAromatic(*args)
|
|
def UnsetKekule(*args): return _openbabel.OBBond_UnsetKekule(*args)
|
|
def GetIdx(*args): return _openbabel.OBBond_GetIdx(*args)
|
|
def GetBO(*args): return _openbabel.OBBond_GetBO(*args)
|
|
def GetBondOrder(*args): return _openbabel.OBBond_GetBondOrder(*args)
|
|
def GetFlags(*args): return _openbabel.OBBond_GetFlags(*args)
|
|
def GetBeginAtomIdx(*args): return _openbabel.OBBond_GetBeginAtomIdx(*args)
|
|
def GetEndAtomIdx(*args): return _openbabel.OBBond_GetEndAtomIdx(*args)
|
|
def GetBeginAtom(*args): return _openbabel.OBBond_GetBeginAtom(*args)
|
|
def GetEndAtom(*args): return _openbabel.OBBond_GetEndAtom(*args)
|
|
def GetNbrAtom(*args): return _openbabel.OBBond_GetNbrAtom(*args)
|
|
def GetParent(*args): return _openbabel.OBBond_GetParent(*args)
|
|
def GetEquibLength(*args): return _openbabel.OBBond_GetEquibLength(*args)
|
|
def GetLength(*args): return _openbabel.OBBond_GetLength(*args)
|
|
def GetNbrAtomIdx(*args): return _openbabel.OBBond_GetNbrAtomIdx(*args)
|
|
def IsAromatic(*args): return _openbabel.OBBond_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel.OBBond_IsInRing(*args)
|
|
def IsRotor(*args): return _openbabel.OBBond_IsRotor(*args)
|
|
def IsAmide(*args): return _openbabel.OBBond_IsAmide(*args)
|
|
def IsPrimaryAmide(*args): return _openbabel.OBBond_IsPrimaryAmide(*args)
|
|
def IsSecondaryAmide(*args): return _openbabel.OBBond_IsSecondaryAmide(*args)
|
|
def IsEster(*args): return _openbabel.OBBond_IsEster(*args)
|
|
def IsCarbonyl(*args): return _openbabel.OBBond_IsCarbonyl(*args)
|
|
def IsSingle(*args): return _openbabel.OBBond_IsSingle(*args)
|
|
def IsDouble(*args): return _openbabel.OBBond_IsDouble(*args)
|
|
def IsTriple(*args): return _openbabel.OBBond_IsTriple(*args)
|
|
def IsKSingle(*args): return _openbabel.OBBond_IsKSingle(*args)
|
|
def IsKDouble(*args): return _openbabel.OBBond_IsKDouble(*args)
|
|
def IsKTriple(*args): return _openbabel.OBBond_IsKTriple(*args)
|
|
def IsClosure(*args): return _openbabel.OBBond_IsClosure(*args)
|
|
def IsUp(*args): return _openbabel.OBBond_IsUp(*args)
|
|
def IsDown(*args): return _openbabel.OBBond_IsDown(*args)
|
|
def IsWedge(*args): return _openbabel.OBBond_IsWedge(*args)
|
|
def IsHash(*args): return _openbabel.OBBond_IsHash(*args)
|
|
def IsDoubleBondGeometry(*args): return _openbabel.OBBond_IsDoubleBondGeometry(*args)
|
|
OBBond_swigregister = _openbabel.OBBond_swigregister
|
|
OBBond_swigregister(OBBond)
|
|
|
|
OB_SSSR_MOL = _openbabel.OB_SSSR_MOL
|
|
OB_RINGFLAGS_MOL = _openbabel.OB_RINGFLAGS_MOL
|
|
OB_AROMATIC_MOL = _openbabel.OB_AROMATIC_MOL
|
|
OB_ATOMTYPES_MOL = _openbabel.OB_ATOMTYPES_MOL
|
|
OB_CHIRALITY_MOL = _openbabel.OB_CHIRALITY_MOL
|
|
OB_PCHARGE_MOL = _openbabel.OB_PCHARGE_MOL
|
|
OB_HYBRID_MOL = _openbabel.OB_HYBRID_MOL
|
|
OB_IMPVAL_MOL = _openbabel.OB_IMPVAL_MOL
|
|
OB_KEKULE_MOL = _openbabel.OB_KEKULE_MOL
|
|
OB_CLOSURE_MOL = _openbabel.OB_CLOSURE_MOL
|
|
OB_H_ADDED_MOL = _openbabel.OB_H_ADDED_MOL
|
|
OB_PH_CORRECTED_MOL = _openbabel.OB_PH_CORRECTED_MOL
|
|
OB_AROM_CORRECTED_MOL = _openbabel.OB_AROM_CORRECTED_MOL
|
|
OB_CHAINS_MOL = _openbabel.OB_CHAINS_MOL
|
|
OB_TCHARGE_MOL = _openbabel.OB_TCHARGE_MOL
|
|
OB_TSPIN_MOL = _openbabel.OB_TSPIN_MOL
|
|
OB_CURRENT_CONFORMER = _openbabel.OB_CURRENT_CONFORMER
|
|
class OBMol(OBBase):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBMol_swiginit(self,_openbabel.new_OBMol(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBMol
|
|
__del__ = lambda self : None;
|
|
def __iadd__(*args): return _openbabel.OBMol___iadd__(*args)
|
|
def ReserveAtoms(*args): return _openbabel.OBMol_ReserveAtoms(*args)
|
|
def CreateAtom(*args): return _openbabel.OBMol_CreateAtom(*args)
|
|
def CreateBond(*args): return _openbabel.OBMol_CreateBond(*args)
|
|
def CreateResidue(*args): return _openbabel.OBMol_CreateResidue(*args)
|
|
def DestroyAtom(*args): return _openbabel.OBMol_DestroyAtom(*args)
|
|
def DestroyBond(*args): return _openbabel.OBMol_DestroyBond(*args)
|
|
def DestroyResidue(*args): return _openbabel.OBMol_DestroyResidue(*args)
|
|
def AddAtom(*args): return _openbabel.OBMol_AddAtom(*args)
|
|
def AddBond(*args): return _openbabel.OBMol_AddBond(*args)
|
|
def AddResidue(*args): return _openbabel.OBMol_AddResidue(*args)
|
|
def InsertAtom(*args): return _openbabel.OBMol_InsertAtom(*args)
|
|
def DeleteAtom(*args): return _openbabel.OBMol_DeleteAtom(*args)
|
|
def DeleteBond(*args): return _openbabel.OBMol_DeleteBond(*args)
|
|
def DeleteResidue(*args): return _openbabel.OBMol_DeleteResidue(*args)
|
|
def NewAtom(*args): return _openbabel.OBMol_NewAtom(*args)
|
|
def NewBond(*args): return _openbabel.OBMol_NewBond(*args)
|
|
def NewResidue(*args): return _openbabel.OBMol_NewResidue(*args)
|
|
def BeginModify(*args): return _openbabel.OBMol_BeginModify(*args)
|
|
def EndModify(*args): return _openbabel.OBMol_EndModify(*args)
|
|
def GetMod(*args): return _openbabel.OBMol_GetMod(*args)
|
|
def IncrementMod(*args): return _openbabel.OBMol_IncrementMod(*args)
|
|
def DecrementMod(*args): return _openbabel.OBMol_DecrementMod(*args)
|
|
def GetFlags(*args): return _openbabel.OBMol_GetFlags(*args)
|
|
def GetTitle(*args): return _openbabel.OBMol_GetTitle(*args)
|
|
def NumAtoms(*args): return _openbabel.OBMol_NumAtoms(*args)
|
|
def NumBonds(*args): return _openbabel.OBMol_NumBonds(*args)
|
|
def NumHvyAtoms(*args): return _openbabel.OBMol_NumHvyAtoms(*args)
|
|
def NumResidues(*args): return _openbabel.OBMol_NumResidues(*args)
|
|
def NumRotors(*args): return _openbabel.OBMol_NumRotors(*args)
|
|
def GetAtom(*args): return _openbabel.OBMol_GetAtom(*args)
|
|
def GetFirstAtom(*args): return _openbabel.OBMol_GetFirstAtom(*args)
|
|
def GetBond(*args): return _openbabel.OBMol_GetBond(*args)
|
|
def GetResidue(*args): return _openbabel.OBMol_GetResidue(*args)
|
|
def GetInternalCoord(*args): return _openbabel.OBMol_GetInternalCoord(*args)
|
|
def GetTorsion(*args): return _openbabel.OBMol_GetTorsion(*args)
|
|
def GetAngle(*args): return _openbabel.OBMol_GetAngle(*args)
|
|
def GetFormula(*args): return _openbabel.OBMol_GetFormula(*args)
|
|
def GetSpacedFormula(*args): return _openbabel.OBMol_GetSpacedFormula(*args)
|
|
def GetEnergy(*args): return _openbabel.OBMol_GetEnergy(*args)
|
|
def GetMolWt(*args): return _openbabel.OBMol_GetMolWt(*args)
|
|
def GetExactMass(*args): return _openbabel.OBMol_GetExactMass(*args)
|
|
def GetTotalCharge(*args): return _openbabel.OBMol_GetTotalCharge(*args)
|
|
def GetTotalSpinMultiplicity(*args): return _openbabel.OBMol_GetTotalSpinMultiplicity(*args)
|
|
def GetDimension(*args): return _openbabel.OBMol_GetDimension(*args)
|
|
def GetCoordinates(*args): return _openbabel.OBMol_GetCoordinates(*args)
|
|
def GetSSSR(*args): return _openbabel.OBMol_GetSSSR(*args)
|
|
def AutomaticFormalCharge(*args): return _openbabel.OBMol_AutomaticFormalCharge(*args)
|
|
def AutomaticPartialCharge(*args): return _openbabel.OBMol_AutomaticPartialCharge(*args)
|
|
def SetTitle(*args): return _openbabel.OBMol_SetTitle(*args)
|
|
def SetFormula(*args): return _openbabel.OBMol_SetFormula(*args)
|
|
def SetEnergy(*args): return _openbabel.OBMol_SetEnergy(*args)
|
|
def SetDimension(*args): return _openbabel.OBMol_SetDimension(*args)
|
|
def SetTotalCharge(*args): return _openbabel.OBMol_SetTotalCharge(*args)
|
|
def SetTotalSpinMultiplicity(*args): return _openbabel.OBMol_SetTotalSpinMultiplicity(*args)
|
|
def SetInternalCoord(*args): return _openbabel.OBMol_SetInternalCoord(*args)
|
|
def SetAutomaticFormalCharge(*args): return _openbabel.OBMol_SetAutomaticFormalCharge(*args)
|
|
def SetAutomaticPartialCharge(*args): return _openbabel.OBMol_SetAutomaticPartialCharge(*args)
|
|
def SetAromaticPerceived(*args): return _openbabel.OBMol_SetAromaticPerceived(*args)
|
|
def SetSSSRPerceived(*args): return _openbabel.OBMol_SetSSSRPerceived(*args)
|
|
def SetRingAtomsAndBondsPerceived(*args): return _openbabel.OBMol_SetRingAtomsAndBondsPerceived(*args)
|
|
def SetAtomTypesPerceived(*args): return _openbabel.OBMol_SetAtomTypesPerceived(*args)
|
|
def SetChainsPerceived(*args): return _openbabel.OBMol_SetChainsPerceived(*args)
|
|
def SetChiralityPerceived(*args): return _openbabel.OBMol_SetChiralityPerceived(*args)
|
|
def SetPartialChargesPerceived(*args): return _openbabel.OBMol_SetPartialChargesPerceived(*args)
|
|
def SetHybridizationPerceived(*args): return _openbabel.OBMol_SetHybridizationPerceived(*args)
|
|
def SetImplicitValencePerceived(*args): return _openbabel.OBMol_SetImplicitValencePerceived(*args)
|
|
def SetKekulePerceived(*args): return _openbabel.OBMol_SetKekulePerceived(*args)
|
|
def SetClosureBondsPerceived(*args): return _openbabel.OBMol_SetClosureBondsPerceived(*args)
|
|
def SetHydrogensAdded(*args): return _openbabel.OBMol_SetHydrogensAdded(*args)
|
|
def SetCorrectedForPH(*args): return _openbabel.OBMol_SetCorrectedForPH(*args)
|
|
def SetAromaticCorrected(*args): return _openbabel.OBMol_SetAromaticCorrected(*args)
|
|
def SetSpinMultiplicityAssigned(*args): return _openbabel.OBMol_SetSpinMultiplicityAssigned(*args)
|
|
def SetFlags(*args): return _openbabel.OBMol_SetFlags(*args)
|
|
def UnsetAromaticPerceived(*args): return _openbabel.OBMol_UnsetAromaticPerceived(*args)
|
|
def UnsetPartialChargesPerceived(*args): return _openbabel.OBMol_UnsetPartialChargesPerceived(*args)
|
|
def UnsetImplicitValencePerceived(*args): return _openbabel.OBMol_UnsetImplicitValencePerceived(*args)
|
|
def UnsetFlag(*args): return _openbabel.OBMol_UnsetFlag(*args)
|
|
def DoTransformations(*args): return _openbabel.OBMol_DoTransformations(*args)
|
|
ClassDescription = staticmethod(_openbabel.OBMol_ClassDescription)
|
|
def Clear(*args): return _openbabel.OBMol_Clear(*args)
|
|
def RenumberAtoms(*args): return _openbabel.OBMol_RenumberAtoms(*args)
|
|
def ToInertialFrame(*args): return _openbabel.OBMol_ToInertialFrame(*args)
|
|
def Translate(*args): return _openbabel.OBMol_Translate(*args)
|
|
def Rotate(*args): return _openbabel.OBMol_Rotate(*args)
|
|
def Kekulize(*args): return _openbabel.OBMol_Kekulize(*args)
|
|
def PerceiveKekuleBonds(*args): return _openbabel.OBMol_PerceiveKekuleBonds(*args)
|
|
def NewPerceiveKekuleBonds(*args): return _openbabel.OBMol_NewPerceiveKekuleBonds(*args)
|
|
def DeleteHydrogen(*args): return _openbabel.OBMol_DeleteHydrogen(*args)
|
|
def DeleteHydrogens(*args): return _openbabel.OBMol_DeleteHydrogens(*args)
|
|
def DeleteNonPolarHydrogens(*args): return _openbabel.OBMol_DeleteNonPolarHydrogens(*args)
|
|
def AddHydrogens(*args): return _openbabel.OBMol_AddHydrogens(*args)
|
|
def AddPolarHydrogens(*args): return _openbabel.OBMol_AddPolarHydrogens(*args)
|
|
def StripSalts(*args): return _openbabel.OBMol_StripSalts(*args)
|
|
def ConvertDativeBonds(*args): return _openbabel.OBMol_ConvertDativeBonds(*args)
|
|
def CorrectForPH(*args): return _openbabel.OBMol_CorrectForPH(*args)
|
|
def AssignSpinMultiplicity(*args): return _openbabel.OBMol_AssignSpinMultiplicity(*args)
|
|
def Center(*args): return _openbabel.OBMol_Center(*args)
|
|
def SetTorsion(*args): return _openbabel.OBMol_SetTorsion(*args)
|
|
def FindSSSR(*args): return _openbabel.OBMol_FindSSSR(*args)
|
|
def FindRingAtomsAndBonds(*args): return _openbabel.OBMol_FindRingAtomsAndBonds(*args)
|
|
def FindChiralCenters(*args): return _openbabel.OBMol_FindChiralCenters(*args)
|
|
def FindChildren(*args): return _openbabel.OBMol_FindChildren(*args)
|
|
def FindLargestFragment(*args): return _openbabel.OBMol_FindLargestFragment(*args)
|
|
def ContigFragList(*args): return _openbabel.OBMol_ContigFragList(*args)
|
|
def Align(*args): return _openbabel.OBMol_Align(*args)
|
|
def ConnectTheDots(*args): return _openbabel.OBMol_ConnectTheDots(*args)
|
|
def PerceiveBondOrders(*args): return _openbabel.OBMol_PerceiveBondOrders(*args)
|
|
def FindAngles(*args): return _openbabel.OBMol_FindAngles(*args)
|
|
def FindTorsions(*args): return _openbabel.OBMol_FindTorsions(*args)
|
|
def GetGTDVector(*args): return _openbabel.OBMol_GetGTDVector(*args)
|
|
def GetGIVector(*args): return _openbabel.OBMol_GetGIVector(*args)
|
|
def GetGIDVector(*args): return _openbabel.OBMol_GetGIDVector(*args)
|
|
def Has2D(*args): return _openbabel.OBMol_Has2D(*args)
|
|
def Has3D(*args): return _openbabel.OBMol_Has3D(*args)
|
|
def HasNonZeroCoords(*args): return _openbabel.OBMol_HasNonZeroCoords(*args)
|
|
def HasAromaticPerceived(*args): return _openbabel.OBMol_HasAromaticPerceived(*args)
|
|
def HasSSSRPerceived(*args): return _openbabel.OBMol_HasSSSRPerceived(*args)
|
|
def HasRingAtomsAndBondsPerceived(*args): return _openbabel.OBMol_HasRingAtomsAndBondsPerceived(*args)
|
|
def HasAtomTypesPerceived(*args): return _openbabel.OBMol_HasAtomTypesPerceived(*args)
|
|
def HasChiralityPerceived(*args): return _openbabel.OBMol_HasChiralityPerceived(*args)
|
|
def HasPartialChargesPerceived(*args): return _openbabel.OBMol_HasPartialChargesPerceived(*args)
|
|
def HasHybridizationPerceived(*args): return _openbabel.OBMol_HasHybridizationPerceived(*args)
|
|
def HasImplicitValencePerceived(*args): return _openbabel.OBMol_HasImplicitValencePerceived(*args)
|
|
def HasKekulePerceived(*args): return _openbabel.OBMol_HasKekulePerceived(*args)
|
|
def HasClosureBondsPerceived(*args): return _openbabel.OBMol_HasClosureBondsPerceived(*args)
|
|
def HasChainsPerceived(*args): return _openbabel.OBMol_HasChainsPerceived(*args)
|
|
def HasHydrogensAdded(*args): return _openbabel.OBMol_HasHydrogensAdded(*args)
|
|
def HasAromaticCorrected(*args): return _openbabel.OBMol_HasAromaticCorrected(*args)
|
|
def IsCorrectedForPH(*args): return _openbabel.OBMol_IsCorrectedForPH(*args)
|
|
def HasSpinMultiplicityAssigned(*args): return _openbabel.OBMol_HasSpinMultiplicityAssigned(*args)
|
|
def IsChiral(*args): return _openbabel.OBMol_IsChiral(*args)
|
|
def Empty(*args): return _openbabel.OBMol_Empty(*args)
|
|
def NumConformers(*args): return _openbabel.OBMol_NumConformers(*args)
|
|
def SetConformers(*args): return _openbabel.OBMol_SetConformers(*args)
|
|
def AddConformer(*args): return _openbabel.OBMol_AddConformer(*args)
|
|
def SetConformer(*args): return _openbabel.OBMol_SetConformer(*args)
|
|
def CopyConformer(*args): return _openbabel.OBMol_CopyConformer(*args)
|
|
def DeleteConformer(*args): return _openbabel.OBMol_DeleteConformer(*args)
|
|
def GetConformer(*args): return _openbabel.OBMol_GetConformer(*args)
|
|
def BeginConformer(*args): return _openbabel.OBMol_BeginConformer(*args)
|
|
def NextConformer(*args): return _openbabel.OBMol_NextConformer(*args)
|
|
def GetConformers(*args): return _openbabel.OBMol_GetConformers(*args)
|
|
def BeginAtoms(*args): return _openbabel.OBMol_BeginAtoms(*args)
|
|
def EndAtoms(*args): return _openbabel.OBMol_EndAtoms(*args)
|
|
def BeginBonds(*args): return _openbabel.OBMol_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel.OBMol_EndBonds(*args)
|
|
def BeginResidues(*args): return _openbabel.OBMol_BeginResidues(*args)
|
|
def EndResidues(*args): return _openbabel.OBMol_EndResidues(*args)
|
|
def BeginAtom(*args): return _openbabel.OBMol_BeginAtom(*args)
|
|
def NextAtom(*args): return _openbabel.OBMol_NextAtom(*args)
|
|
def BeginBond(*args): return _openbabel.OBMol_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel.OBMol_NextBond(*args)
|
|
def BeginResidue(*args): return _openbabel.OBMol_BeginResidue(*args)
|
|
def NextResidue(*args): return _openbabel.OBMol_NextResidue(*args)
|
|
def BeginInternalCoord(*args): return _openbabel.OBMol_BeginInternalCoord(*args)
|
|
def NextInternalCoord(*args): return _openbabel.OBMol_NextInternalCoord(*args)
|
|
OBMol_swigregister = _openbabel.OBMol_swigregister
|
|
OBMol_swigregister(OBMol)
|
|
OBMol_ClassDescription = _openbabel.OBMol_ClassDescription
|
|
|
|
CartesianToInternal = _openbabel.CartesianToInternal
|
|
InternalToCartesian = _openbabel.InternalToCartesian
|
|
NewExtension = _openbabel.NewExtension
|
|
BUFF_SIZE = _openbabel.BUFF_SIZE
|
|
get_rmat = _openbabel.get_rmat
|
|
ob_make_rmat = _openbabel.ob_make_rmat
|
|
qtrfit = _openbabel.qtrfit
|
|
superimpose = _openbabel.superimpose
|
|
class OBRTree(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBRTree_swiginit(self,_openbabel.new_OBRTree(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBRTree
|
|
__del__ = lambda self : None;
|
|
def GetAtomIdx(*args): return _openbabel.OBRTree_GetAtomIdx(*args)
|
|
def PathToRoot(*args): return _openbabel.OBRTree_PathToRoot(*args)
|
|
OBRTree_swigregister = _openbabel.OBRTree_swigregister
|
|
OBRTree_swigregister(OBRTree)
|
|
tokenize = _openbabel.tokenize
|
|
ThrowError = _openbabel.ThrowError
|
|
|
|
class OBRing(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
_path = _swig_property(_openbabel.OBRing__path_get, _openbabel.OBRing__path_set)
|
|
_pathset = _swig_property(_openbabel.OBRing__pathset_get, _openbabel.OBRing__pathset_set)
|
|
def findCenterAndNormal(*args): return _openbabel.OBRing_findCenterAndNormal(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.OBRing_swiginit(self,_openbabel.new_OBRing(*args))
|
|
def Size(*args): return _openbabel.OBRing_Size(*args)
|
|
def PathSize(*args): return _openbabel.OBRing_PathSize(*args)
|
|
def IsMember(*args): return _openbabel.OBRing_IsMember(*args)
|
|
def IsAromatic(*args): return _openbabel.OBRing_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel.OBRing_IsInRing(*args)
|
|
def SetParent(*args): return _openbabel.OBRing_SetParent(*args)
|
|
def GetParent(*args): return _openbabel.OBRing_GetParent(*args)
|
|
__swig_destroy__ = _openbabel.delete_OBRing
|
|
__del__ = lambda self : None;
|
|
OBRing_swigregister = _openbabel.OBRing_swigregister
|
|
OBRing_swigregister(OBRing)
|
|
|
|
CompareRingSize = _openbabel.CompareRingSize
|
|
class OBRingSearch(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBRingSearch_swiginit(self,_openbabel.new_OBRingSearch(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBRingSearch
|
|
__del__ = lambda self : None;
|
|
def SortRings(*args): return _openbabel.OBRingSearch_SortRings(*args)
|
|
def RemoveRedundant(*args): return _openbabel.OBRingSearch_RemoveRedundant(*args)
|
|
def AddRingFromClosure(*args): return _openbabel.OBRingSearch_AddRingFromClosure(*args)
|
|
def WriteRings(*args): return _openbabel.OBRingSearch_WriteRings(*args)
|
|
def SaveUniqueRing(*args): return _openbabel.OBRingSearch_SaveUniqueRing(*args)
|
|
def BeginRings(*args): return _openbabel.OBRingSearch_BeginRings(*args)
|
|
def EndRings(*args): return _openbabel.OBRingSearch_EndRings(*args)
|
|
OBRingSearch_swigregister = _openbabel.OBRingSearch_swigregister
|
|
OBRingSearch_swigregister(OBRingSearch)
|
|
|
|
class OBSmartsPattern(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
__swig_destroy__ = _openbabel.delete_OBSmartsPattern
|
|
__del__ = lambda self : None;
|
|
def __init__(self, *args):
|
|
_openbabel.OBSmartsPattern_swiginit(self,_openbabel.new_OBSmartsPattern(*args))
|
|
def NumMatches(*args): return _openbabel.OBSmartsPattern_NumMatches(*args)
|
|
def NumAtoms(*args): return _openbabel.OBSmartsPattern_NumAtoms(*args)
|
|
def NumBonds(*args): return _openbabel.OBSmartsPattern_NumBonds(*args)
|
|
def GetAtomicNum(*args): return _openbabel.OBSmartsPattern_GetAtomicNum(*args)
|
|
def GetBond(*args): return _openbabel.OBSmartsPattern_GetBond(*args)
|
|
def GetCharge(*args): return _openbabel.OBSmartsPattern_GetCharge(*args)
|
|
def GetSMARTS(*args): return _openbabel.OBSmartsPattern_GetSMARTS(*args)
|
|
def GetVectorBinding(*args): return _openbabel.OBSmartsPattern_GetVectorBinding(*args)
|
|
def Empty(*args): return _openbabel.OBSmartsPattern_Empty(*args)
|
|
def IsValid(*args): return _openbabel.OBSmartsPattern_IsValid(*args)
|
|
def Init(*args): return _openbabel.OBSmartsPattern_Init(*args)
|
|
def WriteMapList(*args): return _openbabel.OBSmartsPattern_WriteMapList(*args)
|
|
def Match(*args): return _openbabel.OBSmartsPattern_Match(*args)
|
|
def RestrictedMatch(*args): return _openbabel.OBSmartsPattern_RestrictedMatch(*args)
|
|
def GetMapList(*args): return _openbabel.OBSmartsPattern_GetMapList(*args)
|
|
def GetUMapList(*args): return _openbabel.OBSmartsPattern_GetUMapList(*args)
|
|
def BeginMList(*args): return _openbabel.OBSmartsPattern_BeginMList(*args)
|
|
def EndMList(*args): return _openbabel.OBSmartsPattern_EndMList(*args)
|
|
OBSmartsPattern_swigregister = _openbabel.OBSmartsPattern_swigregister
|
|
OBSmartsPattern_swigregister(OBSmartsPattern)
|
|
|
|
class OBSSMatch(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.OBSSMatch_swiginit(self,_openbabel.new_OBSSMatch(*args))
|
|
__swig_destroy__ = _openbabel.delete_OBSSMatch
|
|
__del__ = lambda self : None;
|
|
def Match(*args): return _openbabel.OBSSMatch_Match(*args)
|
|
OBSSMatch_swigregister = _openbabel.OBSSMatch_swigregister
|
|
OBSSMatch_swigregister(OBSSMatch)
|
|
|
|
SmartsLexReplace = _openbabel.SmartsLexReplace
|
|
class OBFingerprint(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
def __init__(self): raise AttributeError, "No constructor defined"
|
|
__repr__ = _swig_repr
|
|
_Iter = staticmethod(_openbabel.OBFingerprint__Iter)
|
|
FindDefaultType = staticmethod(_openbabel.OBFingerprint_FindDefaultType)
|
|
FindType = staticmethod(_openbabel.OBFingerprint_FindType)
|
|
__swig_destroy__ = _openbabel.delete_OBFingerprint
|
|
__del__ = lambda self : None;
|
|
def SetBit(*args): return _openbabel.OBFingerprint_SetBit(*args)
|
|
def Fold(*args): return _openbabel.OBFingerprint_Fold(*args)
|
|
def GetFingerprint(*args): return _openbabel.OBFingerprint_GetFingerprint(*args)
|
|
def Description(*args): return _openbabel.OBFingerprint_Description(*args)
|
|
FPT_UNIQUEBITS = _openbabel.OBFingerprint_FPT_UNIQUEBITS
|
|
def Flags(*args): return _openbabel.OBFingerprint_Flags(*args)
|
|
Tanimoto = staticmethod(_openbabel.OBFingerprint_Tanimoto)
|
|
Getbitsperint = staticmethod(_openbabel.OBFingerprint_Getbitsperint)
|
|
FindFingerprint = staticmethod(_openbabel.OBFingerprint_FindFingerprint)
|
|
OBFingerprint_swigregister = _openbabel.OBFingerprint_swigregister
|
|
OBFingerprint_swigregister(OBFingerprint)
|
|
OBFingerprint__Iter = _openbabel.OBFingerprint__Iter
|
|
OBFingerprint_FindDefaultType = _openbabel.OBFingerprint_FindDefaultType
|
|
OBFingerprint_FindType = _openbabel.OBFingerprint_FindType
|
|
OBFingerprint_Tanimoto = _openbabel.OBFingerprint_Tanimoto
|
|
OBFingerprint_Getbitsperint = _openbabel.OBFingerprint_Getbitsperint
|
|
OBFingerprint_FindFingerprint = _openbabel.OBFingerprint_FindFingerprint
|
|
|
|
class FptIndexHeader(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
headerlength = _swig_property(_openbabel.FptIndexHeader_headerlength_get, _openbabel.FptIndexHeader_headerlength_set)
|
|
nEntries = _swig_property(_openbabel.FptIndexHeader_nEntries_get, _openbabel.FptIndexHeader_nEntries_set)
|
|
words = _swig_property(_openbabel.FptIndexHeader_words_get, _openbabel.FptIndexHeader_words_set)
|
|
fpid = _swig_property(_openbabel.FptIndexHeader_fpid_get, _openbabel.FptIndexHeader_fpid_set)
|
|
datafilename = _swig_property(_openbabel.FptIndexHeader_datafilename_get, _openbabel.FptIndexHeader_datafilename_set)
|
|
def __init__(self, *args):
|
|
_openbabel.FptIndexHeader_swiginit(self,_openbabel.new_FptIndexHeader(*args))
|
|
__swig_destroy__ = _openbabel.delete_FptIndexHeader
|
|
__del__ = lambda self : None;
|
|
FptIndexHeader_swigregister = _openbabel.FptIndexHeader_swigregister
|
|
FptIndexHeader_swigregister(FptIndexHeader)
|
|
|
|
class FptIndex(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
header = _swig_property(_openbabel.FptIndex_header_get, _openbabel.FptIndex_header_set)
|
|
fptdata = _swig_property(_openbabel.FptIndex_fptdata_get, _openbabel.FptIndex_fptdata_set)
|
|
seekdata = _swig_property(_openbabel.FptIndex_seekdata_get, _openbabel.FptIndex_seekdata_set)
|
|
def Read(*args): return _openbabel.FptIndex_Read(*args)
|
|
def CheckFP(*args): return _openbabel.FptIndex_CheckFP(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.FptIndex_swiginit(self,_openbabel.new_FptIndex(*args))
|
|
__swig_destroy__ = _openbabel.delete_FptIndex
|
|
__del__ = lambda self : None;
|
|
FptIndex_swigregister = _openbabel.FptIndex_swigregister
|
|
FptIndex_swigregister(FptIndex)
|
|
|
|
class FastSearch(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def ReadIndexFile(*args): return _openbabel.FastSearch_ReadIndexFile(*args)
|
|
def ReadIndex(*args): return _openbabel.FastSearch_ReadIndex(*args)
|
|
__swig_destroy__ = _openbabel.delete_FastSearch
|
|
__del__ = lambda self : None;
|
|
def Find(*args): return _openbabel.FastSearch_Find(*args)
|
|
def FindMatch(*args): return _openbabel.FastSearch_FindMatch(*args)
|
|
def FindSimilar(*args): return _openbabel.FastSearch_FindSimilar(*args)
|
|
def GetFingerprint(*args): return _openbabel.FastSearch_GetFingerprint(*args)
|
|
def GetIndexHeader(*args): return _openbabel.FastSearch_GetIndexHeader(*args)
|
|
def __init__(self, *args):
|
|
_openbabel.FastSearch_swiginit(self,_openbabel.new_FastSearch(*args))
|
|
FastSearch_swigregister = _openbabel.FastSearch_swigregister
|
|
FastSearch_swigregister(FastSearch)
|
|
|
|
class FastSearchIndexer(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.FastSearchIndexer_swiginit(self,_openbabel.new_FastSearchIndexer(*args))
|
|
__swig_destroy__ = _openbabel.delete_FastSearchIndexer
|
|
__del__ = lambda self : None;
|
|
def Add(*args): return _openbabel.FastSearchIndexer_Add(*args)
|
|
FastSearchIndexer_swigregister = _openbabel.FastSearchIndexer_swigregister
|
|
FastSearchIndexer_swigregister(FastSearchIndexer)
|
|
|
|
class _OBMolAtomIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolAtomIter_swiginit(self,_openbabel.new__OBMolAtomIter(*args))
|
|
def good(*args): return _openbabel._OBMolAtomIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolAtomIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBMolAtomIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBMolAtomIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolAtomIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBMolAtomIter_Visit_get, _openbabel._OBMolAtomIter_Visit_set)
|
|
def Clear(*args): return _openbabel._OBMolAtomIter_Clear(*args)
|
|
def SetIdx(*args): return _openbabel._OBMolAtomIter_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel._OBMolAtomIter_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel._OBMolAtomIter_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel._OBMolAtomIter_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel._OBMolAtomIter_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel._OBMolAtomIter_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel._OBMolAtomIter_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel._OBMolAtomIter_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel._OBMolAtomIter_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel._OBMolAtomIter_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel._OBMolAtomIter_SetPartialCharge(*args)
|
|
def SetVector(*args): return _openbabel._OBMolAtomIter_SetVector(*args)
|
|
def SetCoordPtr(*args): return _openbabel._OBMolAtomIter_SetCoordPtr(*args)
|
|
def SetResidue(*args): return _openbabel._OBMolAtomIter_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel._OBMolAtomIter_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel._OBMolAtomIter_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBMolAtomIter_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel._OBMolAtomIter_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel._OBMolAtomIter_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel._OBMolAtomIter_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel._OBMolAtomIter_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel._OBMolAtomIter_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel._OBMolAtomIter_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel._OBMolAtomIter_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel._OBMolAtomIter_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel._OBMolAtomIter_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel._OBMolAtomIter_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel._OBMolAtomIter_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel._OBMolAtomIter_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel._OBMolAtomIter_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel._OBMolAtomIter_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel._OBMolAtomIter_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel._OBMolAtomIter_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel._OBMolAtomIter_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel._OBMolAtomIter_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel._OBMolAtomIter_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel._OBMolAtomIter_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel._OBMolAtomIter_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel._OBMolAtomIter_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel._OBMolAtomIter_GetType(*args)
|
|
def GetX(*args): return _openbabel._OBMolAtomIter_GetX(*args)
|
|
def GetY(*args): return _openbabel._OBMolAtomIter_GetY(*args)
|
|
def GetZ(*args): return _openbabel._OBMolAtomIter_GetZ(*args)
|
|
def x(*args): return _openbabel._OBMolAtomIter_x(*args)
|
|
def y(*args): return _openbabel._OBMolAtomIter_y(*args)
|
|
def z(*args): return _openbabel._OBMolAtomIter_z(*args)
|
|
def GetCoordinate(*args): return _openbabel._OBMolAtomIter_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel._OBMolAtomIter_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel._OBMolAtomIter_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel._OBMolAtomIter_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel._OBMolAtomIter_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel._OBMolAtomIter_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel._OBMolAtomIter_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel._OBMolAtomIter_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel._OBMolAtomIter_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel._OBMolAtomIter_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel._OBMolAtomIter_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel._OBMolAtomIter_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel._OBMolAtomIter_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel._OBMolAtomIter_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel._OBMolAtomIter_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel._OBMolAtomIter_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel._OBMolAtomIter_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel._OBMolAtomIter_AddResidue(*args)
|
|
def DeleteResidue(*args): return _openbabel._OBMolAtomIter_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel._OBMolAtomIter_AddBond(*args)
|
|
def InsertBond(*args): return _openbabel._OBMolAtomIter_InsertBond(*args)
|
|
def DeleteBond(*args): return _openbabel._OBMolAtomIter_DeleteBond(*args)
|
|
def ClearBond(*args): return _openbabel._OBMolAtomIter_ClearBond(*args)
|
|
def HtoMethyl(*args): return _openbabel._OBMolAtomIter_HtoMethyl(*args)
|
|
def SetHybAndGeom(*args): return _openbabel._OBMolAtomIter_SetHybAndGeom(*args)
|
|
def ForceNoH(*args): return _openbabel._OBMolAtomIter_ForceNoH(*args)
|
|
def HasNoHForced(*args): return _openbabel._OBMolAtomIter_HasNoHForced(*args)
|
|
def CountFreeOxygens(*args): return _openbabel._OBMolAtomIter_CountFreeOxygens(*args)
|
|
def ImplicitHydrogenCount(*args): return _openbabel._OBMolAtomIter_ImplicitHydrogenCount(*args)
|
|
def ExplicitHydrogenCount(*args): return _openbabel._OBMolAtomIter_ExplicitHydrogenCount(*args)
|
|
def MemberOfRingCount(*args): return _openbabel._OBMolAtomIter_MemberOfRingCount(*args)
|
|
def MemberOfRingSize(*args): return _openbabel._OBMolAtomIter_MemberOfRingSize(*args)
|
|
def CountRingBonds(*args): return _openbabel._OBMolAtomIter_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel._OBMolAtomIter_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel._OBMolAtomIter_AverageBondAngle(*args)
|
|
def BOSum(*args): return _openbabel._OBMolAtomIter_BOSum(*args)
|
|
def KBOSum(*args): return _openbabel._OBMolAtomIter_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel._OBMolAtomIter_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel._OBMolAtomIter_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel._OBMolAtomIter_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel._OBMolAtomIter_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel._OBMolAtomIter_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel._OBMolAtomIter_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel._OBMolAtomIter_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel._OBMolAtomIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBMolAtomIter_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel._OBMolAtomIter_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel._OBMolAtomIter_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel._OBMolAtomIter_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel._OBMolAtomIter_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel._OBMolAtomIter_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel._OBMolAtomIter_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel._OBMolAtomIter_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel._OBMolAtomIter_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel._OBMolAtomIter_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel._OBMolAtomIter_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel._OBMolAtomIter_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel._OBMolAtomIter_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel._OBMolAtomIter_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel._OBMolAtomIter_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel._OBMolAtomIter_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel._OBMolAtomIter_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel._OBMolAtomIter_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel._OBMolAtomIter_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel._OBMolAtomIter_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel._OBMolAtomIter_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel._OBMolAtomIter_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel._OBMolAtomIter_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel._OBMolAtomIter_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel._OBMolAtomIter_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel._OBMolAtomIter_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel._OBMolAtomIter_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel._OBMolAtomIter_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel._OBMolAtomIter_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel._OBMolAtomIter_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel._OBMolAtomIter_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel._OBMolAtomIter_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel._OBMolAtomIter_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel._OBMolAtomIter_MatchesSMARTS(*args)
|
|
def DoTransformations(*args): return _openbabel._OBMolAtomIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBMolAtomIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBMolAtomIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBMolAtomIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBMolAtomIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBMolAtomIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBMolAtomIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBMolAtomIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBMolAtomIter_EndData(*args)
|
|
_OBMolAtomIter_swigregister = _openbabel._OBMolAtomIter_swigregister
|
|
_OBMolAtomIter_swigregister(_OBMolAtomIter)
|
|
|
|
class _OBMolAtomDFSIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolAtomDFSIter_swiginit(self,_openbabel.new__OBMolAtomDFSIter(*args))
|
|
def good(*args): return _openbabel._OBMolAtomDFSIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolAtomDFSIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBMolAtomDFSIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBMolAtomDFSIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolAtomDFSIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBMolAtomDFSIter_Visit_get, _openbabel._OBMolAtomDFSIter_Visit_set)
|
|
def Clear(*args): return _openbabel._OBMolAtomDFSIter_Clear(*args)
|
|
def SetIdx(*args): return _openbabel._OBMolAtomDFSIter_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel._OBMolAtomDFSIter_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel._OBMolAtomDFSIter_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel._OBMolAtomDFSIter_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel._OBMolAtomDFSIter_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel._OBMolAtomDFSIter_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel._OBMolAtomDFSIter_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel._OBMolAtomDFSIter_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel._OBMolAtomDFSIter_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel._OBMolAtomDFSIter_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel._OBMolAtomDFSIter_SetPartialCharge(*args)
|
|
def SetVector(*args): return _openbabel._OBMolAtomDFSIter_SetVector(*args)
|
|
def SetCoordPtr(*args): return _openbabel._OBMolAtomDFSIter_SetCoordPtr(*args)
|
|
def SetResidue(*args): return _openbabel._OBMolAtomDFSIter_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel._OBMolAtomDFSIter_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel._OBMolAtomDFSIter_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBMolAtomDFSIter_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel._OBMolAtomDFSIter_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel._OBMolAtomDFSIter_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel._OBMolAtomDFSIter_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel._OBMolAtomDFSIter_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel._OBMolAtomDFSIter_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel._OBMolAtomDFSIter_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel._OBMolAtomDFSIter_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel._OBMolAtomDFSIter_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel._OBMolAtomDFSIter_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel._OBMolAtomDFSIter_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel._OBMolAtomDFSIter_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel._OBMolAtomDFSIter_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel._OBMolAtomDFSIter_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel._OBMolAtomDFSIter_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel._OBMolAtomDFSIter_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel._OBMolAtomDFSIter_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel._OBMolAtomDFSIter_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel._OBMolAtomDFSIter_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel._OBMolAtomDFSIter_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel._OBMolAtomDFSIter_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel._OBMolAtomDFSIter_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel._OBMolAtomDFSIter_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel._OBMolAtomDFSIter_GetType(*args)
|
|
def GetX(*args): return _openbabel._OBMolAtomDFSIter_GetX(*args)
|
|
def GetY(*args): return _openbabel._OBMolAtomDFSIter_GetY(*args)
|
|
def GetZ(*args): return _openbabel._OBMolAtomDFSIter_GetZ(*args)
|
|
def x(*args): return _openbabel._OBMolAtomDFSIter_x(*args)
|
|
def y(*args): return _openbabel._OBMolAtomDFSIter_y(*args)
|
|
def z(*args): return _openbabel._OBMolAtomDFSIter_z(*args)
|
|
def GetCoordinate(*args): return _openbabel._OBMolAtomDFSIter_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel._OBMolAtomDFSIter_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel._OBMolAtomDFSIter_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel._OBMolAtomDFSIter_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel._OBMolAtomDFSIter_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel._OBMolAtomDFSIter_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel._OBMolAtomDFSIter_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel._OBMolAtomDFSIter_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel._OBMolAtomDFSIter_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel._OBMolAtomDFSIter_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel._OBMolAtomDFSIter_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel._OBMolAtomDFSIter_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel._OBMolAtomDFSIter_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel._OBMolAtomDFSIter_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel._OBMolAtomDFSIter_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel._OBMolAtomDFSIter_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel._OBMolAtomDFSIter_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel._OBMolAtomDFSIter_AddResidue(*args)
|
|
def DeleteResidue(*args): return _openbabel._OBMolAtomDFSIter_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel._OBMolAtomDFSIter_AddBond(*args)
|
|
def InsertBond(*args): return _openbabel._OBMolAtomDFSIter_InsertBond(*args)
|
|
def DeleteBond(*args): return _openbabel._OBMolAtomDFSIter_DeleteBond(*args)
|
|
def ClearBond(*args): return _openbabel._OBMolAtomDFSIter_ClearBond(*args)
|
|
def HtoMethyl(*args): return _openbabel._OBMolAtomDFSIter_HtoMethyl(*args)
|
|
def SetHybAndGeom(*args): return _openbabel._OBMolAtomDFSIter_SetHybAndGeom(*args)
|
|
def ForceNoH(*args): return _openbabel._OBMolAtomDFSIter_ForceNoH(*args)
|
|
def HasNoHForced(*args): return _openbabel._OBMolAtomDFSIter_HasNoHForced(*args)
|
|
def CountFreeOxygens(*args): return _openbabel._OBMolAtomDFSIter_CountFreeOxygens(*args)
|
|
def ImplicitHydrogenCount(*args): return _openbabel._OBMolAtomDFSIter_ImplicitHydrogenCount(*args)
|
|
def ExplicitHydrogenCount(*args): return _openbabel._OBMolAtomDFSIter_ExplicitHydrogenCount(*args)
|
|
def MemberOfRingCount(*args): return _openbabel._OBMolAtomDFSIter_MemberOfRingCount(*args)
|
|
def MemberOfRingSize(*args): return _openbabel._OBMolAtomDFSIter_MemberOfRingSize(*args)
|
|
def CountRingBonds(*args): return _openbabel._OBMolAtomDFSIter_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel._OBMolAtomDFSIter_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel._OBMolAtomDFSIter_AverageBondAngle(*args)
|
|
def BOSum(*args): return _openbabel._OBMolAtomDFSIter_BOSum(*args)
|
|
def KBOSum(*args): return _openbabel._OBMolAtomDFSIter_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel._OBMolAtomDFSIter_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel._OBMolAtomDFSIter_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel._OBMolAtomDFSIter_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel._OBMolAtomDFSIter_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel._OBMolAtomDFSIter_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel._OBMolAtomDFSIter_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel._OBMolAtomDFSIter_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel._OBMolAtomDFSIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBMolAtomDFSIter_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel._OBMolAtomDFSIter_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel._OBMolAtomDFSIter_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel._OBMolAtomDFSIter_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel._OBMolAtomDFSIter_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel._OBMolAtomDFSIter_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel._OBMolAtomDFSIter_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel._OBMolAtomDFSIter_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel._OBMolAtomDFSIter_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel._OBMolAtomDFSIter_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel._OBMolAtomDFSIter_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel._OBMolAtomDFSIter_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel._OBMolAtomDFSIter_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel._OBMolAtomDFSIter_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel._OBMolAtomDFSIter_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel._OBMolAtomDFSIter_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel._OBMolAtomDFSIter_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel._OBMolAtomDFSIter_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel._OBMolAtomDFSIter_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel._OBMolAtomDFSIter_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel._OBMolAtomDFSIter_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel._OBMolAtomDFSIter_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel._OBMolAtomDFSIter_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel._OBMolAtomDFSIter_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel._OBMolAtomDFSIter_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel._OBMolAtomDFSIter_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel._OBMolAtomDFSIter_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel._OBMolAtomDFSIter_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel._OBMolAtomDFSIter_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel._OBMolAtomDFSIter_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel._OBMolAtomDFSIter_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel._OBMolAtomDFSIter_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel._OBMolAtomDFSIter_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel._OBMolAtomDFSIter_MatchesSMARTS(*args)
|
|
def DoTransformations(*args): return _openbabel._OBMolAtomDFSIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBMolAtomDFSIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBMolAtomDFSIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBMolAtomDFSIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBMolAtomDFSIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBMolAtomDFSIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBMolAtomDFSIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBMolAtomDFSIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBMolAtomDFSIter_EndData(*args)
|
|
_OBMolAtomDFSIter_swigregister = _openbabel._OBMolAtomDFSIter_swigregister
|
|
_OBMolAtomDFSIter_swigregister(_OBMolAtomDFSIter)
|
|
|
|
class _OBMolAtomBFSIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolAtomBFSIter_swiginit(self,_openbabel.new__OBMolAtomBFSIter(*args))
|
|
def good(*args): return _openbabel._OBMolAtomBFSIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolAtomBFSIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBMolAtomBFSIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBMolAtomBFSIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolAtomBFSIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBMolAtomBFSIter_Visit_get, _openbabel._OBMolAtomBFSIter_Visit_set)
|
|
def Clear(*args): return _openbabel._OBMolAtomBFSIter_Clear(*args)
|
|
def SetIdx(*args): return _openbabel._OBMolAtomBFSIter_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel._OBMolAtomBFSIter_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel._OBMolAtomBFSIter_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel._OBMolAtomBFSIter_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel._OBMolAtomBFSIter_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel._OBMolAtomBFSIter_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel._OBMolAtomBFSIter_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel._OBMolAtomBFSIter_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel._OBMolAtomBFSIter_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel._OBMolAtomBFSIter_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel._OBMolAtomBFSIter_SetPartialCharge(*args)
|
|
def SetVector(*args): return _openbabel._OBMolAtomBFSIter_SetVector(*args)
|
|
def SetCoordPtr(*args): return _openbabel._OBMolAtomBFSIter_SetCoordPtr(*args)
|
|
def SetResidue(*args): return _openbabel._OBMolAtomBFSIter_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel._OBMolAtomBFSIter_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel._OBMolAtomBFSIter_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBMolAtomBFSIter_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel._OBMolAtomBFSIter_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel._OBMolAtomBFSIter_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel._OBMolAtomBFSIter_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel._OBMolAtomBFSIter_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel._OBMolAtomBFSIter_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel._OBMolAtomBFSIter_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel._OBMolAtomBFSIter_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel._OBMolAtomBFSIter_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel._OBMolAtomBFSIter_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel._OBMolAtomBFSIter_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel._OBMolAtomBFSIter_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel._OBMolAtomBFSIter_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel._OBMolAtomBFSIter_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel._OBMolAtomBFSIter_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel._OBMolAtomBFSIter_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel._OBMolAtomBFSIter_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel._OBMolAtomBFSIter_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel._OBMolAtomBFSIter_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel._OBMolAtomBFSIter_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel._OBMolAtomBFSIter_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel._OBMolAtomBFSIter_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel._OBMolAtomBFSIter_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel._OBMolAtomBFSIter_GetType(*args)
|
|
def GetX(*args): return _openbabel._OBMolAtomBFSIter_GetX(*args)
|
|
def GetY(*args): return _openbabel._OBMolAtomBFSIter_GetY(*args)
|
|
def GetZ(*args): return _openbabel._OBMolAtomBFSIter_GetZ(*args)
|
|
def x(*args): return _openbabel._OBMolAtomBFSIter_x(*args)
|
|
def y(*args): return _openbabel._OBMolAtomBFSIter_y(*args)
|
|
def z(*args): return _openbabel._OBMolAtomBFSIter_z(*args)
|
|
def GetCoordinate(*args): return _openbabel._OBMolAtomBFSIter_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel._OBMolAtomBFSIter_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel._OBMolAtomBFSIter_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel._OBMolAtomBFSIter_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel._OBMolAtomBFSIter_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel._OBMolAtomBFSIter_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel._OBMolAtomBFSIter_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel._OBMolAtomBFSIter_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel._OBMolAtomBFSIter_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel._OBMolAtomBFSIter_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel._OBMolAtomBFSIter_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel._OBMolAtomBFSIter_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel._OBMolAtomBFSIter_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel._OBMolAtomBFSIter_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel._OBMolAtomBFSIter_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel._OBMolAtomBFSIter_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel._OBMolAtomBFSIter_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel._OBMolAtomBFSIter_AddResidue(*args)
|
|
def DeleteResidue(*args): return _openbabel._OBMolAtomBFSIter_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel._OBMolAtomBFSIter_AddBond(*args)
|
|
def InsertBond(*args): return _openbabel._OBMolAtomBFSIter_InsertBond(*args)
|
|
def DeleteBond(*args): return _openbabel._OBMolAtomBFSIter_DeleteBond(*args)
|
|
def ClearBond(*args): return _openbabel._OBMolAtomBFSIter_ClearBond(*args)
|
|
def HtoMethyl(*args): return _openbabel._OBMolAtomBFSIter_HtoMethyl(*args)
|
|
def SetHybAndGeom(*args): return _openbabel._OBMolAtomBFSIter_SetHybAndGeom(*args)
|
|
def ForceNoH(*args): return _openbabel._OBMolAtomBFSIter_ForceNoH(*args)
|
|
def HasNoHForced(*args): return _openbabel._OBMolAtomBFSIter_HasNoHForced(*args)
|
|
def CountFreeOxygens(*args): return _openbabel._OBMolAtomBFSIter_CountFreeOxygens(*args)
|
|
def ImplicitHydrogenCount(*args): return _openbabel._OBMolAtomBFSIter_ImplicitHydrogenCount(*args)
|
|
def ExplicitHydrogenCount(*args): return _openbabel._OBMolAtomBFSIter_ExplicitHydrogenCount(*args)
|
|
def MemberOfRingCount(*args): return _openbabel._OBMolAtomBFSIter_MemberOfRingCount(*args)
|
|
def MemberOfRingSize(*args): return _openbabel._OBMolAtomBFSIter_MemberOfRingSize(*args)
|
|
def CountRingBonds(*args): return _openbabel._OBMolAtomBFSIter_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel._OBMolAtomBFSIter_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel._OBMolAtomBFSIter_AverageBondAngle(*args)
|
|
def BOSum(*args): return _openbabel._OBMolAtomBFSIter_BOSum(*args)
|
|
def KBOSum(*args): return _openbabel._OBMolAtomBFSIter_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel._OBMolAtomBFSIter_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel._OBMolAtomBFSIter_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel._OBMolAtomBFSIter_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel._OBMolAtomBFSIter_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel._OBMolAtomBFSIter_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel._OBMolAtomBFSIter_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel._OBMolAtomBFSIter_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel._OBMolAtomBFSIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBMolAtomBFSIter_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel._OBMolAtomBFSIter_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel._OBMolAtomBFSIter_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel._OBMolAtomBFSIter_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel._OBMolAtomBFSIter_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel._OBMolAtomBFSIter_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel._OBMolAtomBFSIter_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel._OBMolAtomBFSIter_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel._OBMolAtomBFSIter_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel._OBMolAtomBFSIter_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel._OBMolAtomBFSIter_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel._OBMolAtomBFSIter_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel._OBMolAtomBFSIter_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel._OBMolAtomBFSIter_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel._OBMolAtomBFSIter_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel._OBMolAtomBFSIter_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel._OBMolAtomBFSIter_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel._OBMolAtomBFSIter_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel._OBMolAtomBFSIter_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel._OBMolAtomBFSIter_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel._OBMolAtomBFSIter_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel._OBMolAtomBFSIter_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel._OBMolAtomBFSIter_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel._OBMolAtomBFSIter_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel._OBMolAtomBFSIter_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel._OBMolAtomBFSIter_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel._OBMolAtomBFSIter_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel._OBMolAtomBFSIter_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel._OBMolAtomBFSIter_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel._OBMolAtomBFSIter_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel._OBMolAtomBFSIter_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel._OBMolAtomBFSIter_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel._OBMolAtomBFSIter_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel._OBMolAtomBFSIter_MatchesSMARTS(*args)
|
|
def DoTransformations(*args): return _openbabel._OBMolAtomBFSIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBMolAtomBFSIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBMolAtomBFSIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBMolAtomBFSIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBMolAtomBFSIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBMolAtomBFSIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBMolAtomBFSIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBMolAtomBFSIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBMolAtomBFSIter_EndData(*args)
|
|
_OBMolAtomBFSIter_swigregister = _openbabel._OBMolAtomBFSIter_swigregister
|
|
_OBMolAtomBFSIter_swigregister(_OBMolAtomBFSIter)
|
|
|
|
class _OBMolBondIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolBondIter_swiginit(self,_openbabel.new__OBMolBondIter(*args))
|
|
def good(*args): return _openbabel._OBMolBondIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolBondIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBMolBondIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBMolBondIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolBondIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBMolBondIter_Visit_get, _openbabel._OBMolBondIter_Visit_set)
|
|
def SetIdx(*args): return _openbabel._OBMolBondIter_SetIdx(*args)
|
|
def SetBO(*args): return _openbabel._OBMolBondIter_SetBO(*args)
|
|
def SetBondOrder(*args): return _openbabel._OBMolBondIter_SetBondOrder(*args)
|
|
def SetBegin(*args): return _openbabel._OBMolBondIter_SetBegin(*args)
|
|
def SetEnd(*args): return _openbabel._OBMolBondIter_SetEnd(*args)
|
|
def SetParent(*args): return _openbabel._OBMolBondIter_SetParent(*args)
|
|
def SetLength(*args): return _openbabel._OBMolBondIter_SetLength(*args)
|
|
def Set(*args): return _openbabel._OBMolBondIter_Set(*args)
|
|
def SetKSingle(*args): return _openbabel._OBMolBondIter_SetKSingle(*args)
|
|
def SetKDouble(*args): return _openbabel._OBMolBondIter_SetKDouble(*args)
|
|
def SetKTriple(*args): return _openbabel._OBMolBondIter_SetKTriple(*args)
|
|
def SetAromatic(*args): return _openbabel._OBMolBondIter_SetAromatic(*args)
|
|
def SetHash(*args): return _openbabel._OBMolBondIter_SetHash(*args)
|
|
def SetWedge(*args): return _openbabel._OBMolBondIter_SetWedge(*args)
|
|
def SetUp(*args): return _openbabel._OBMolBondIter_SetUp(*args)
|
|
def SetDown(*args): return _openbabel._OBMolBondIter_SetDown(*args)
|
|
def SetInRing(*args): return _openbabel._OBMolBondIter_SetInRing(*args)
|
|
def SetClosure(*args): return _openbabel._OBMolBondIter_SetClosure(*args)
|
|
def UnsetHash(*args): return _openbabel._OBMolBondIter_UnsetHash(*args)
|
|
def UnsetWedge(*args): return _openbabel._OBMolBondIter_UnsetWedge(*args)
|
|
def UnsetUp(*args): return _openbabel._OBMolBondIter_UnsetUp(*args)
|
|
def UnsetDown(*args): return _openbabel._OBMolBondIter_UnsetDown(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBMolBondIter_UnsetAromatic(*args)
|
|
def UnsetKekule(*args): return _openbabel._OBMolBondIter_UnsetKekule(*args)
|
|
def GetIdx(*args): return _openbabel._OBMolBondIter_GetIdx(*args)
|
|
def GetBO(*args): return _openbabel._OBMolBondIter_GetBO(*args)
|
|
def GetBondOrder(*args): return _openbabel._OBMolBondIter_GetBondOrder(*args)
|
|
def GetFlags(*args): return _openbabel._OBMolBondIter_GetFlags(*args)
|
|
def GetBeginAtomIdx(*args): return _openbabel._OBMolBondIter_GetBeginAtomIdx(*args)
|
|
def GetEndAtomIdx(*args): return _openbabel._OBMolBondIter_GetEndAtomIdx(*args)
|
|
def GetBeginAtom(*args): return _openbabel._OBMolBondIter_GetBeginAtom(*args)
|
|
def GetEndAtom(*args): return _openbabel._OBMolBondIter_GetEndAtom(*args)
|
|
def GetNbrAtom(*args): return _openbabel._OBMolBondIter_GetNbrAtom(*args)
|
|
def GetParent(*args): return _openbabel._OBMolBondIter_GetParent(*args)
|
|
def GetEquibLength(*args): return _openbabel._OBMolBondIter_GetEquibLength(*args)
|
|
def GetLength(*args): return _openbabel._OBMolBondIter_GetLength(*args)
|
|
def GetNbrAtomIdx(*args): return _openbabel._OBMolBondIter_GetNbrAtomIdx(*args)
|
|
def IsAromatic(*args): return _openbabel._OBMolBondIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBMolBondIter_IsInRing(*args)
|
|
def IsRotor(*args): return _openbabel._OBMolBondIter_IsRotor(*args)
|
|
def IsAmide(*args): return _openbabel._OBMolBondIter_IsAmide(*args)
|
|
def IsPrimaryAmide(*args): return _openbabel._OBMolBondIter_IsPrimaryAmide(*args)
|
|
def IsSecondaryAmide(*args): return _openbabel._OBMolBondIter_IsSecondaryAmide(*args)
|
|
def IsEster(*args): return _openbabel._OBMolBondIter_IsEster(*args)
|
|
def IsCarbonyl(*args): return _openbabel._OBMolBondIter_IsCarbonyl(*args)
|
|
def IsSingle(*args): return _openbabel._OBMolBondIter_IsSingle(*args)
|
|
def IsDouble(*args): return _openbabel._OBMolBondIter_IsDouble(*args)
|
|
def IsTriple(*args): return _openbabel._OBMolBondIter_IsTriple(*args)
|
|
def IsKSingle(*args): return _openbabel._OBMolBondIter_IsKSingle(*args)
|
|
def IsKDouble(*args): return _openbabel._OBMolBondIter_IsKDouble(*args)
|
|
def IsKTriple(*args): return _openbabel._OBMolBondIter_IsKTriple(*args)
|
|
def IsClosure(*args): return _openbabel._OBMolBondIter_IsClosure(*args)
|
|
def IsUp(*args): return _openbabel._OBMolBondIter_IsUp(*args)
|
|
def IsDown(*args): return _openbabel._OBMolBondIter_IsDown(*args)
|
|
def IsWedge(*args): return _openbabel._OBMolBondIter_IsWedge(*args)
|
|
def IsHash(*args): return _openbabel._OBMolBondIter_IsHash(*args)
|
|
def IsDoubleBondGeometry(*args): return _openbabel._OBMolBondIter_IsDoubleBondGeometry(*args)
|
|
def Clear(*args): return _openbabel._OBMolBondIter_Clear(*args)
|
|
def DoTransformations(*args): return _openbabel._OBMolBondIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBMolBondIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBMolBondIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBMolBondIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBMolBondIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBMolBondIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBMolBondIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBMolBondIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBMolBondIter_EndData(*args)
|
|
_OBMolBondIter_swigregister = _openbabel._OBMolBondIter_swigregister
|
|
_OBMolBondIter_swigregister(_OBMolBondIter)
|
|
|
|
class _OBAtomAtomIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBAtomAtomIter_swiginit(self,_openbabel.new__OBAtomAtomIter(*args))
|
|
def good(*args): return _openbabel._OBAtomAtomIter_good(*args)
|
|
def inc(*args): return _openbabel._OBAtomAtomIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBAtomAtomIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBAtomAtomIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBAtomAtomIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBAtomAtomIter_Visit_get, _openbabel._OBAtomAtomIter_Visit_set)
|
|
def Clear(*args): return _openbabel._OBAtomAtomIter_Clear(*args)
|
|
def SetIdx(*args): return _openbabel._OBAtomAtomIter_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel._OBAtomAtomIter_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel._OBAtomAtomIter_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel._OBAtomAtomIter_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel._OBAtomAtomIter_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel._OBAtomAtomIter_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel._OBAtomAtomIter_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel._OBAtomAtomIter_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel._OBAtomAtomIter_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel._OBAtomAtomIter_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel._OBAtomAtomIter_SetPartialCharge(*args)
|
|
def SetVector(*args): return _openbabel._OBAtomAtomIter_SetVector(*args)
|
|
def SetCoordPtr(*args): return _openbabel._OBAtomAtomIter_SetCoordPtr(*args)
|
|
def SetResidue(*args): return _openbabel._OBAtomAtomIter_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel._OBAtomAtomIter_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel._OBAtomAtomIter_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBAtomAtomIter_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel._OBAtomAtomIter_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel._OBAtomAtomIter_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel._OBAtomAtomIter_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel._OBAtomAtomIter_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel._OBAtomAtomIter_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel._OBAtomAtomIter_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel._OBAtomAtomIter_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel._OBAtomAtomIter_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel._OBAtomAtomIter_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel._OBAtomAtomIter_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel._OBAtomAtomIter_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel._OBAtomAtomIter_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel._OBAtomAtomIter_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel._OBAtomAtomIter_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel._OBAtomAtomIter_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel._OBAtomAtomIter_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel._OBAtomAtomIter_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel._OBAtomAtomIter_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel._OBAtomAtomIter_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel._OBAtomAtomIter_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel._OBAtomAtomIter_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel._OBAtomAtomIter_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel._OBAtomAtomIter_GetType(*args)
|
|
def GetX(*args): return _openbabel._OBAtomAtomIter_GetX(*args)
|
|
def GetY(*args): return _openbabel._OBAtomAtomIter_GetY(*args)
|
|
def GetZ(*args): return _openbabel._OBAtomAtomIter_GetZ(*args)
|
|
def x(*args): return _openbabel._OBAtomAtomIter_x(*args)
|
|
def y(*args): return _openbabel._OBAtomAtomIter_y(*args)
|
|
def z(*args): return _openbabel._OBAtomAtomIter_z(*args)
|
|
def GetCoordinate(*args): return _openbabel._OBAtomAtomIter_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel._OBAtomAtomIter_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel._OBAtomAtomIter_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel._OBAtomAtomIter_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel._OBAtomAtomIter_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel._OBAtomAtomIter_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel._OBAtomAtomIter_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel._OBAtomAtomIter_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel._OBAtomAtomIter_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel._OBAtomAtomIter_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel._OBAtomAtomIter_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel._OBAtomAtomIter_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel._OBAtomAtomIter_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel._OBAtomAtomIter_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel._OBAtomAtomIter_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel._OBAtomAtomIter_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel._OBAtomAtomIter_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel._OBAtomAtomIter_AddResidue(*args)
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|
def DeleteResidue(*args): return _openbabel._OBAtomAtomIter_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel._OBAtomAtomIter_AddBond(*args)
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|
def InsertBond(*args): return _openbabel._OBAtomAtomIter_InsertBond(*args)
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|
def DeleteBond(*args): return _openbabel._OBAtomAtomIter_DeleteBond(*args)
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|
def ClearBond(*args): return _openbabel._OBAtomAtomIter_ClearBond(*args)
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|
def HtoMethyl(*args): return _openbabel._OBAtomAtomIter_HtoMethyl(*args)
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|
def SetHybAndGeom(*args): return _openbabel._OBAtomAtomIter_SetHybAndGeom(*args)
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|
def ForceNoH(*args): return _openbabel._OBAtomAtomIter_ForceNoH(*args)
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|
def HasNoHForced(*args): return _openbabel._OBAtomAtomIter_HasNoHForced(*args)
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|
def CountFreeOxygens(*args): return _openbabel._OBAtomAtomIter_CountFreeOxygens(*args)
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|
def ImplicitHydrogenCount(*args): return _openbabel._OBAtomAtomIter_ImplicitHydrogenCount(*args)
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|
def ExplicitHydrogenCount(*args): return _openbabel._OBAtomAtomIter_ExplicitHydrogenCount(*args)
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|
def MemberOfRingCount(*args): return _openbabel._OBAtomAtomIter_MemberOfRingCount(*args)
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|
def MemberOfRingSize(*args): return _openbabel._OBAtomAtomIter_MemberOfRingSize(*args)
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|
def CountRingBonds(*args): return _openbabel._OBAtomAtomIter_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel._OBAtomAtomIter_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel._OBAtomAtomIter_AverageBondAngle(*args)
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|
def BOSum(*args): return _openbabel._OBAtomAtomIter_BOSum(*args)
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|
def KBOSum(*args): return _openbabel._OBAtomAtomIter_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel._OBAtomAtomIter_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel._OBAtomAtomIter_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel._OBAtomAtomIter_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel._OBAtomAtomIter_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel._OBAtomAtomIter_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel._OBAtomAtomIter_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel._OBAtomAtomIter_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel._OBAtomAtomIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBAtomAtomIter_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel._OBAtomAtomIter_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel._OBAtomAtomIter_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel._OBAtomAtomIter_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel._OBAtomAtomIter_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel._OBAtomAtomIter_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel._OBAtomAtomIter_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel._OBAtomAtomIter_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel._OBAtomAtomIter_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel._OBAtomAtomIter_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel._OBAtomAtomIter_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel._OBAtomAtomIter_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel._OBAtomAtomIter_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel._OBAtomAtomIter_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel._OBAtomAtomIter_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel._OBAtomAtomIter_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel._OBAtomAtomIter_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel._OBAtomAtomIter_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel._OBAtomAtomIter_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel._OBAtomAtomIter_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel._OBAtomAtomIter_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel._OBAtomAtomIter_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel._OBAtomAtomIter_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel._OBAtomAtomIter_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel._OBAtomAtomIter_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel._OBAtomAtomIter_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel._OBAtomAtomIter_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel._OBAtomAtomIter_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel._OBAtomAtomIter_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel._OBAtomAtomIter_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel._OBAtomAtomIter_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel._OBAtomAtomIter_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel._OBAtomAtomIter_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel._OBAtomAtomIter_MatchesSMARTS(*args)
|
|
def DoTransformations(*args): return _openbabel._OBAtomAtomIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBAtomAtomIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBAtomAtomIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBAtomAtomIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBAtomAtomIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBAtomAtomIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBAtomAtomIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBAtomAtomIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBAtomAtomIter_EndData(*args)
|
|
_OBAtomAtomIter_swigregister = _openbabel._OBAtomAtomIter_swigregister
|
|
_OBAtomAtomIter_swigregister(_OBAtomAtomIter)
|
|
|
|
class _OBAtomBondIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBAtomBondIter_swiginit(self,_openbabel.new__OBAtomBondIter(*args))
|
|
def good(*args): return _openbabel._OBAtomBondIter_good(*args)
|
|
def inc(*args): return _openbabel._OBAtomBondIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBAtomBondIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBAtomBondIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBAtomBondIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBAtomBondIter_Visit_get, _openbabel._OBAtomBondIter_Visit_set)
|
|
def SetIdx(*args): return _openbabel._OBAtomBondIter_SetIdx(*args)
|
|
def SetBO(*args): return _openbabel._OBAtomBondIter_SetBO(*args)
|
|
def SetBondOrder(*args): return _openbabel._OBAtomBondIter_SetBondOrder(*args)
|
|
def SetBegin(*args): return _openbabel._OBAtomBondIter_SetBegin(*args)
|
|
def SetEnd(*args): return _openbabel._OBAtomBondIter_SetEnd(*args)
|
|
def SetParent(*args): return _openbabel._OBAtomBondIter_SetParent(*args)
|
|
def SetLength(*args): return _openbabel._OBAtomBondIter_SetLength(*args)
|
|
def Set(*args): return _openbabel._OBAtomBondIter_Set(*args)
|
|
def SetKSingle(*args): return _openbabel._OBAtomBondIter_SetKSingle(*args)
|
|
def SetKDouble(*args): return _openbabel._OBAtomBondIter_SetKDouble(*args)
|
|
def SetKTriple(*args): return _openbabel._OBAtomBondIter_SetKTriple(*args)
|
|
def SetAromatic(*args): return _openbabel._OBAtomBondIter_SetAromatic(*args)
|
|
def SetHash(*args): return _openbabel._OBAtomBondIter_SetHash(*args)
|
|
def SetWedge(*args): return _openbabel._OBAtomBondIter_SetWedge(*args)
|
|
def SetUp(*args): return _openbabel._OBAtomBondIter_SetUp(*args)
|
|
def SetDown(*args): return _openbabel._OBAtomBondIter_SetDown(*args)
|
|
def SetInRing(*args): return _openbabel._OBAtomBondIter_SetInRing(*args)
|
|
def SetClosure(*args): return _openbabel._OBAtomBondIter_SetClosure(*args)
|
|
def UnsetHash(*args): return _openbabel._OBAtomBondIter_UnsetHash(*args)
|
|
def UnsetWedge(*args): return _openbabel._OBAtomBondIter_UnsetWedge(*args)
|
|
def UnsetUp(*args): return _openbabel._OBAtomBondIter_UnsetUp(*args)
|
|
def UnsetDown(*args): return _openbabel._OBAtomBondIter_UnsetDown(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBAtomBondIter_UnsetAromatic(*args)
|
|
def UnsetKekule(*args): return _openbabel._OBAtomBondIter_UnsetKekule(*args)
|
|
def GetIdx(*args): return _openbabel._OBAtomBondIter_GetIdx(*args)
|
|
def GetBO(*args): return _openbabel._OBAtomBondIter_GetBO(*args)
|
|
def GetBondOrder(*args): return _openbabel._OBAtomBondIter_GetBondOrder(*args)
|
|
def GetFlags(*args): return _openbabel._OBAtomBondIter_GetFlags(*args)
|
|
def GetBeginAtomIdx(*args): return _openbabel._OBAtomBondIter_GetBeginAtomIdx(*args)
|
|
def GetEndAtomIdx(*args): return _openbabel._OBAtomBondIter_GetEndAtomIdx(*args)
|
|
def GetBeginAtom(*args): return _openbabel._OBAtomBondIter_GetBeginAtom(*args)
|
|
def GetEndAtom(*args): return _openbabel._OBAtomBondIter_GetEndAtom(*args)
|
|
def GetNbrAtom(*args): return _openbabel._OBAtomBondIter_GetNbrAtom(*args)
|
|
def GetParent(*args): return _openbabel._OBAtomBondIter_GetParent(*args)
|
|
def GetEquibLength(*args): return _openbabel._OBAtomBondIter_GetEquibLength(*args)
|
|
def GetLength(*args): return _openbabel._OBAtomBondIter_GetLength(*args)
|
|
def GetNbrAtomIdx(*args): return _openbabel._OBAtomBondIter_GetNbrAtomIdx(*args)
|
|
def IsAromatic(*args): return _openbabel._OBAtomBondIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBAtomBondIter_IsInRing(*args)
|
|
def IsRotor(*args): return _openbabel._OBAtomBondIter_IsRotor(*args)
|
|
def IsAmide(*args): return _openbabel._OBAtomBondIter_IsAmide(*args)
|
|
def IsPrimaryAmide(*args): return _openbabel._OBAtomBondIter_IsPrimaryAmide(*args)
|
|
def IsSecondaryAmide(*args): return _openbabel._OBAtomBondIter_IsSecondaryAmide(*args)
|
|
def IsEster(*args): return _openbabel._OBAtomBondIter_IsEster(*args)
|
|
def IsCarbonyl(*args): return _openbabel._OBAtomBondIter_IsCarbonyl(*args)
|
|
def IsSingle(*args): return _openbabel._OBAtomBondIter_IsSingle(*args)
|
|
def IsDouble(*args): return _openbabel._OBAtomBondIter_IsDouble(*args)
|
|
def IsTriple(*args): return _openbabel._OBAtomBondIter_IsTriple(*args)
|
|
def IsKSingle(*args): return _openbabel._OBAtomBondIter_IsKSingle(*args)
|
|
def IsKDouble(*args): return _openbabel._OBAtomBondIter_IsKDouble(*args)
|
|
def IsKTriple(*args): return _openbabel._OBAtomBondIter_IsKTriple(*args)
|
|
def IsClosure(*args): return _openbabel._OBAtomBondIter_IsClosure(*args)
|
|
def IsUp(*args): return _openbabel._OBAtomBondIter_IsUp(*args)
|
|
def IsDown(*args): return _openbabel._OBAtomBondIter_IsDown(*args)
|
|
def IsWedge(*args): return _openbabel._OBAtomBondIter_IsWedge(*args)
|
|
def IsHash(*args): return _openbabel._OBAtomBondIter_IsHash(*args)
|
|
def IsDoubleBondGeometry(*args): return _openbabel._OBAtomBondIter_IsDoubleBondGeometry(*args)
|
|
def Clear(*args): return _openbabel._OBAtomBondIter_Clear(*args)
|
|
def DoTransformations(*args): return _openbabel._OBAtomBondIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBAtomBondIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBAtomBondIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBAtomBondIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBAtomBondIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBAtomBondIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBAtomBondIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBAtomBondIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBAtomBondIter_EndData(*args)
|
|
_OBAtomBondIter_swigregister = _openbabel._OBAtomBondIter_swigregister
|
|
_OBAtomBondIter_swigregister(_OBAtomBondIter)
|
|
|
|
class _OBResidueIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBResidueIter_swiginit(self,_openbabel.new__OBResidueIter(*args))
|
|
def good(*args): return _openbabel._OBResidueIter_good(*args)
|
|
def inc(*args): return _openbabel._OBResidueIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBResidueIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBResidueIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBResidueIter
|
|
__del__ = lambda self : None;
|
|
def AddAtom(*args): return _openbabel._OBResidueIter_AddAtom(*args)
|
|
def InsertAtom(*args): return _openbabel._OBResidueIter_InsertAtom(*args)
|
|
def RemoveAtom(*args): return _openbabel._OBResidueIter_RemoveAtom(*args)
|
|
def Clear(*args): return _openbabel._OBResidueIter_Clear(*args)
|
|
def SetName(*args): return _openbabel._OBResidueIter_SetName(*args)
|
|
def SetNum(*args): return _openbabel._OBResidueIter_SetNum(*args)
|
|
def SetChain(*args): return _openbabel._OBResidueIter_SetChain(*args)
|
|
def SetChainNum(*args): return _openbabel._OBResidueIter_SetChainNum(*args)
|
|
def SetIdx(*args): return _openbabel._OBResidueIter_SetIdx(*args)
|
|
def SetAtomID(*args): return _openbabel._OBResidueIter_SetAtomID(*args)
|
|
def SetHetAtom(*args): return _openbabel._OBResidueIter_SetHetAtom(*args)
|
|
def SetSerialNum(*args): return _openbabel._OBResidueIter_SetSerialNum(*args)
|
|
def GetName(*args): return _openbabel._OBResidueIter_GetName(*args)
|
|
def GetNum(*args): return _openbabel._OBResidueIter_GetNum(*args)
|
|
def GetNumAtoms(*args): return _openbabel._OBResidueIter_GetNumAtoms(*args)
|
|
def GetChain(*args): return _openbabel._OBResidueIter_GetChain(*args)
|
|
def GetChainNum(*args): return _openbabel._OBResidueIter_GetChainNum(*args)
|
|
def GetIdx(*args): return _openbabel._OBResidueIter_GetIdx(*args)
|
|
def GetResKey(*args): return _openbabel._OBResidueIter_GetResKey(*args)
|
|
def GetAtoms(*args): return _openbabel._OBResidueIter_GetAtoms(*args)
|
|
def GetBonds(*args): return _openbabel._OBResidueIter_GetBonds(*args)
|
|
def GetAtomID(*args): return _openbabel._OBResidueIter_GetAtomID(*args)
|
|
def GetSerialNum(*args): return _openbabel._OBResidueIter_GetSerialNum(*args)
|
|
def GetAminoAcidProperty(*args): return _openbabel._OBResidueIter_GetAminoAcidProperty(*args)
|
|
def GetAtomProperty(*args): return _openbabel._OBResidueIter_GetAtomProperty(*args)
|
|
def GetResidueProperty(*args): return _openbabel._OBResidueIter_GetResidueProperty(*args)
|
|
def IsHetAtom(*args): return _openbabel._OBResidueIter_IsHetAtom(*args)
|
|
def IsResidueType(*args): return _openbabel._OBResidueIter_IsResidueType(*args)
|
|
def BeginAtoms(*args): return _openbabel._OBResidueIter_BeginAtoms(*args)
|
|
def EndAtoms(*args): return _openbabel._OBResidueIter_EndAtoms(*args)
|
|
def BeginAtom(*args): return _openbabel._OBResidueIter_BeginAtom(*args)
|
|
def NextAtom(*args): return _openbabel._OBResidueIter_NextAtom(*args)
|
|
def DoTransformations(*args): return _openbabel._OBResidueIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBResidueIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBResidueIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBResidueIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBResidueIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBResidueIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBResidueIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBResidueIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBResidueIter_EndData(*args)
|
|
_OBResidueIter_swigregister = _openbabel._OBResidueIter_swigregister
|
|
_OBResidueIter_swigregister(_OBResidueIter)
|
|
|
|
class _OBResidueAtomIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBResidueAtomIter_swiginit(self,_openbabel.new__OBResidueAtomIter(*args))
|
|
def good(*args): return _openbabel._OBResidueAtomIter_good(*args)
|
|
def inc(*args): return _openbabel._OBResidueAtomIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBResidueAtomIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBResidueAtomIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBResidueAtomIter
|
|
__del__ = lambda self : None;
|
|
Visit = _swig_property(_openbabel._OBResidueAtomIter_Visit_get, _openbabel._OBResidueAtomIter_Visit_set)
|
|
def Clear(*args): return _openbabel._OBResidueAtomIter_Clear(*args)
|
|
def SetIdx(*args): return _openbabel._OBResidueAtomIter_SetIdx(*args)
|
|
def SetHyb(*args): return _openbabel._OBResidueAtomIter_SetHyb(*args)
|
|
def SetAtomicNum(*args): return _openbabel._OBResidueAtomIter_SetAtomicNum(*args)
|
|
def SetIsotope(*args): return _openbabel._OBResidueAtomIter_SetIsotope(*args)
|
|
def SetImplicitValence(*args): return _openbabel._OBResidueAtomIter_SetImplicitValence(*args)
|
|
def IncrementImplicitValence(*args): return _openbabel._OBResidueAtomIter_IncrementImplicitValence(*args)
|
|
def DecrementImplicitValence(*args): return _openbabel._OBResidueAtomIter_DecrementImplicitValence(*args)
|
|
def SetFormalCharge(*args): return _openbabel._OBResidueAtomIter_SetFormalCharge(*args)
|
|
def SetSpinMultiplicity(*args): return _openbabel._OBResidueAtomIter_SetSpinMultiplicity(*args)
|
|
def SetType(*args): return _openbabel._OBResidueAtomIter_SetType(*args)
|
|
def SetPartialCharge(*args): return _openbabel._OBResidueAtomIter_SetPartialCharge(*args)
|
|
def SetVector(*args): return _openbabel._OBResidueAtomIter_SetVector(*args)
|
|
def SetCoordPtr(*args): return _openbabel._OBResidueAtomIter_SetCoordPtr(*args)
|
|
def SetResidue(*args): return _openbabel._OBResidueAtomIter_SetResidue(*args)
|
|
def SetParent(*args): return _openbabel._OBResidueAtomIter_SetParent(*args)
|
|
def SetAromatic(*args): return _openbabel._OBResidueAtomIter_SetAromatic(*args)
|
|
def UnsetAromatic(*args): return _openbabel._OBResidueAtomIter_UnsetAromatic(*args)
|
|
def SetClockwiseStereo(*args): return _openbabel._OBResidueAtomIter_SetClockwiseStereo(*args)
|
|
def SetAntiClockwiseStereo(*args): return _openbabel._OBResidueAtomIter_SetAntiClockwiseStereo(*args)
|
|
def SetPositiveStereo(*args): return _openbabel._OBResidueAtomIter_SetPositiveStereo(*args)
|
|
def SetNegativeStereo(*args): return _openbabel._OBResidueAtomIter_SetNegativeStereo(*args)
|
|
def UnsetStereo(*args): return _openbabel._OBResidueAtomIter_UnsetStereo(*args)
|
|
def SetInRing(*args): return _openbabel._OBResidueAtomIter_SetInRing(*args)
|
|
def SetChiral(*args): return _openbabel._OBResidueAtomIter_SetChiral(*args)
|
|
def ClearCoordPtr(*args): return _openbabel._OBResidueAtomIter_ClearCoordPtr(*args)
|
|
def GetFormalCharge(*args): return _openbabel._OBResidueAtomIter_GetFormalCharge(*args)
|
|
def GetAtomicNum(*args): return _openbabel._OBResidueAtomIter_GetAtomicNum(*args)
|
|
def GetIsotope(*args): return _openbabel._OBResidueAtomIter_GetIsotope(*args)
|
|
def GetSpinMultiplicity(*args): return _openbabel._OBResidueAtomIter_GetSpinMultiplicity(*args)
|
|
def GetAtomicMass(*args): return _openbabel._OBResidueAtomIter_GetAtomicMass(*args)
|
|
def GetExactMass(*args): return _openbabel._OBResidueAtomIter_GetExactMass(*args)
|
|
def GetIdx(*args): return _openbabel._OBResidueAtomIter_GetIdx(*args)
|
|
def GetCoordinateIdx(*args): return _openbabel._OBResidueAtomIter_GetCoordinateIdx(*args)
|
|
def GetCIdx(*args): return _openbabel._OBResidueAtomIter_GetCIdx(*args)
|
|
def GetValence(*args): return _openbabel._OBResidueAtomIter_GetValence(*args)
|
|
def GetHyb(*args): return _openbabel._OBResidueAtomIter_GetHyb(*args)
|
|
def GetImplicitValence(*args): return _openbabel._OBResidueAtomIter_GetImplicitValence(*args)
|
|
def GetHvyValence(*args): return _openbabel._OBResidueAtomIter_GetHvyValence(*args)
|
|
def GetHeteroValence(*args): return _openbabel._OBResidueAtomIter_GetHeteroValence(*args)
|
|
def GetType(*args): return _openbabel._OBResidueAtomIter_GetType(*args)
|
|
def GetX(*args): return _openbabel._OBResidueAtomIter_GetX(*args)
|
|
def GetY(*args): return _openbabel._OBResidueAtomIter_GetY(*args)
|
|
def GetZ(*args): return _openbabel._OBResidueAtomIter_GetZ(*args)
|
|
def x(*args): return _openbabel._OBResidueAtomIter_x(*args)
|
|
def y(*args): return _openbabel._OBResidueAtomIter_y(*args)
|
|
def z(*args): return _openbabel._OBResidueAtomIter_z(*args)
|
|
def GetCoordinate(*args): return _openbabel._OBResidueAtomIter_GetCoordinate(*args)
|
|
def GetVector(*args): return _openbabel._OBResidueAtomIter_GetVector(*args)
|
|
def GetPartialCharge(*args): return _openbabel._OBResidueAtomIter_GetPartialCharge(*args)
|
|
def GetResidue(*args): return _openbabel._OBResidueAtomIter_GetResidue(*args)
|
|
def GetParent(*args): return _openbabel._OBResidueAtomIter_GetParent(*args)
|
|
def GetNewBondVector(*args): return _openbabel._OBResidueAtomIter_GetNewBondVector(*args)
|
|
def GetBond(*args): return _openbabel._OBResidueAtomIter_GetBond(*args)
|
|
def GetNextAtom(*args): return _openbabel._OBResidueAtomIter_GetNextAtom(*args)
|
|
def BeginBonds(*args): return _openbabel._OBResidueAtomIter_BeginBonds(*args)
|
|
def EndBonds(*args): return _openbabel._OBResidueAtomIter_EndBonds(*args)
|
|
def BeginBond(*args): return _openbabel._OBResidueAtomIter_BeginBond(*args)
|
|
def NextBond(*args): return _openbabel._OBResidueAtomIter_NextBond(*args)
|
|
def BeginNbrAtom(*args): return _openbabel._OBResidueAtomIter_BeginNbrAtom(*args)
|
|
def NextNbrAtom(*args): return _openbabel._OBResidueAtomIter_NextNbrAtom(*args)
|
|
def GetDistance(*args): return _openbabel._OBResidueAtomIter_GetDistance(*args)
|
|
def GetAngle(*args): return _openbabel._OBResidueAtomIter_GetAngle(*args)
|
|
def NewResidue(*args): return _openbabel._OBResidueAtomIter_NewResidue(*args)
|
|
def AddResidue(*args): return _openbabel._OBResidueAtomIter_AddResidue(*args)
|
|
def DeleteResidue(*args): return _openbabel._OBResidueAtomIter_DeleteResidue(*args)
|
|
def AddBond(*args): return _openbabel._OBResidueAtomIter_AddBond(*args)
|
|
def InsertBond(*args): return _openbabel._OBResidueAtomIter_InsertBond(*args)
|
|
def DeleteBond(*args): return _openbabel._OBResidueAtomIter_DeleteBond(*args)
|
|
def ClearBond(*args): return _openbabel._OBResidueAtomIter_ClearBond(*args)
|
|
def HtoMethyl(*args): return _openbabel._OBResidueAtomIter_HtoMethyl(*args)
|
|
def SetHybAndGeom(*args): return _openbabel._OBResidueAtomIter_SetHybAndGeom(*args)
|
|
def ForceNoH(*args): return _openbabel._OBResidueAtomIter_ForceNoH(*args)
|
|
def HasNoHForced(*args): return _openbabel._OBResidueAtomIter_HasNoHForced(*args)
|
|
def CountFreeOxygens(*args): return _openbabel._OBResidueAtomIter_CountFreeOxygens(*args)
|
|
def ImplicitHydrogenCount(*args): return _openbabel._OBResidueAtomIter_ImplicitHydrogenCount(*args)
|
|
def ExplicitHydrogenCount(*args): return _openbabel._OBResidueAtomIter_ExplicitHydrogenCount(*args)
|
|
def MemberOfRingCount(*args): return _openbabel._OBResidueAtomIter_MemberOfRingCount(*args)
|
|
def MemberOfRingSize(*args): return _openbabel._OBResidueAtomIter_MemberOfRingSize(*args)
|
|
def CountRingBonds(*args): return _openbabel._OBResidueAtomIter_CountRingBonds(*args)
|
|
def SmallestBondAngle(*args): return _openbabel._OBResidueAtomIter_SmallestBondAngle(*args)
|
|
def AverageBondAngle(*args): return _openbabel._OBResidueAtomIter_AverageBondAngle(*args)
|
|
def BOSum(*args): return _openbabel._OBResidueAtomIter_BOSum(*args)
|
|
def KBOSum(*args): return _openbabel._OBResidueAtomIter_KBOSum(*args)
|
|
def HasResidue(*args): return _openbabel._OBResidueAtomIter_HasResidue(*args)
|
|
def IsHydrogen(*args): return _openbabel._OBResidueAtomIter_IsHydrogen(*args)
|
|
def IsCarbon(*args): return _openbabel._OBResidueAtomIter_IsCarbon(*args)
|
|
def IsNitrogen(*args): return _openbabel._OBResidueAtomIter_IsNitrogen(*args)
|
|
def IsOxygen(*args): return _openbabel._OBResidueAtomIter_IsOxygen(*args)
|
|
def IsSulfur(*args): return _openbabel._OBResidueAtomIter_IsSulfur(*args)
|
|
def IsPhosphorus(*args): return _openbabel._OBResidueAtomIter_IsPhosphorus(*args)
|
|
def IsAromatic(*args): return _openbabel._OBResidueAtomIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBResidueAtomIter_IsInRing(*args)
|
|
def IsInRingSize(*args): return _openbabel._OBResidueAtomIter_IsInRingSize(*args)
|
|
def IsHeteroatom(*args): return _openbabel._OBResidueAtomIter_IsHeteroatom(*args)
|
|
def IsNotCorH(*args): return _openbabel._OBResidueAtomIter_IsNotCorH(*args)
|
|
def IsConnected(*args): return _openbabel._OBResidueAtomIter_IsConnected(*args)
|
|
def IsOneThree(*args): return _openbabel._OBResidueAtomIter_IsOneThree(*args)
|
|
def IsOneFour(*args): return _openbabel._OBResidueAtomIter_IsOneFour(*args)
|
|
def IsCarboxylOxygen(*args): return _openbabel._OBResidueAtomIter_IsCarboxylOxygen(*args)
|
|
def IsPhosphateOxygen(*args): return _openbabel._OBResidueAtomIter_IsPhosphateOxygen(*args)
|
|
def IsSulfateOxygen(*args): return _openbabel._OBResidueAtomIter_IsSulfateOxygen(*args)
|
|
def IsNitroOxygen(*args): return _openbabel._OBResidueAtomIter_IsNitroOxygen(*args)
|
|
def IsAmideNitrogen(*args): return _openbabel._OBResidueAtomIter_IsAmideNitrogen(*args)
|
|
def IsPolarHydrogen(*args): return _openbabel._OBResidueAtomIter_IsPolarHydrogen(*args)
|
|
def IsNonPolarHydrogen(*args): return _openbabel._OBResidueAtomIter_IsNonPolarHydrogen(*args)
|
|
def IsAromaticNOxide(*args): return _openbabel._OBResidueAtomIter_IsAromaticNOxide(*args)
|
|
def IsChiral(*args): return _openbabel._OBResidueAtomIter_IsChiral(*args)
|
|
def IsAxial(*args): return _openbabel._OBResidueAtomIter_IsAxial(*args)
|
|
def IsClockwise(*args): return _openbabel._OBResidueAtomIter_IsClockwise(*args)
|
|
def IsAntiClockwise(*args): return _openbabel._OBResidueAtomIter_IsAntiClockwise(*args)
|
|
def IsPositiveStereo(*args): return _openbabel._OBResidueAtomIter_IsPositiveStereo(*args)
|
|
def IsNegativeStereo(*args): return _openbabel._OBResidueAtomIter_IsNegativeStereo(*args)
|
|
def HasChiralitySpecified(*args): return _openbabel._OBResidueAtomIter_HasChiralitySpecified(*args)
|
|
def HasChiralVolume(*args): return _openbabel._OBResidueAtomIter_HasChiralVolume(*args)
|
|
def IsHbondAcceptor(*args): return _openbabel._OBResidueAtomIter_IsHbondAcceptor(*args)
|
|
def IsHbondDonor(*args): return _openbabel._OBResidueAtomIter_IsHbondDonor(*args)
|
|
def IsHbondDonorH(*args): return _openbabel._OBResidueAtomIter_IsHbondDonorH(*args)
|
|
def HasAlphaBetaUnsat(*args): return _openbabel._OBResidueAtomIter_HasAlphaBetaUnsat(*args)
|
|
def HasBondOfOrder(*args): return _openbabel._OBResidueAtomIter_HasBondOfOrder(*args)
|
|
def CountBondsOfOrder(*args): return _openbabel._OBResidueAtomIter_CountBondsOfOrder(*args)
|
|
def HasNonSingleBond(*args): return _openbabel._OBResidueAtomIter_HasNonSingleBond(*args)
|
|
def HasSingleBond(*args): return _openbabel._OBResidueAtomIter_HasSingleBond(*args)
|
|
def HasDoubleBond(*args): return _openbabel._OBResidueAtomIter_HasDoubleBond(*args)
|
|
def HasAromaticBond(*args): return _openbabel._OBResidueAtomIter_HasAromaticBond(*args)
|
|
def MatchesSMARTS(*args): return _openbabel._OBResidueAtomIter_MatchesSMARTS(*args)
|
|
def DoTransformations(*args): return _openbabel._OBResidueAtomIter_DoTransformations(*args)
|
|
def ClassDescription(*args): return _openbabel._OBResidueAtomIter_ClassDescription(*args)
|
|
def HasData(*args): return _openbabel._OBResidueAtomIter_HasData(*args)
|
|
def DeleteData(*args): return _openbabel._OBResidueAtomIter_DeleteData(*args)
|
|
def SetData(*args): return _openbabel._OBResidueAtomIter_SetData(*args)
|
|
def DataSize(*args): return _openbabel._OBResidueAtomIter_DataSize(*args)
|
|
def GetData(*args): return _openbabel._OBResidueAtomIter_GetData(*args)
|
|
def BeginData(*args): return _openbabel._OBResidueAtomIter_BeginData(*args)
|
|
def EndData(*args): return _openbabel._OBResidueAtomIter_EndData(*args)
|
|
_OBResidueAtomIter_swigregister = _openbabel._OBResidueAtomIter_swigregister
|
|
_OBResidueAtomIter_swigregister(_OBResidueAtomIter)
|
|
|
|
class _OBMolAngleIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolAngleIter_swiginit(self,_openbabel.new__OBMolAngleIter(*args))
|
|
def good(*args): return _openbabel._OBMolAngleIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolAngleIter_inc(*args)
|
|
def __ref__(*args): return _openbabel._OBMolAngleIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolAngleIter
|
|
__del__ = lambda self : None;
|
|
_OBMolAngleIter_swigregister = _openbabel._OBMolAngleIter_swigregister
|
|
_OBMolAngleIter_swigregister(_OBMolAngleIter)
|
|
|
|
class _OBMolTorsionIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolTorsionIter_swiginit(self,_openbabel.new__OBMolTorsionIter(*args))
|
|
def good(*args): return _openbabel._OBMolTorsionIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolTorsionIter_inc(*args)
|
|
def __ref__(*args): return _openbabel._OBMolTorsionIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolTorsionIter
|
|
__del__ = lambda self : None;
|
|
_OBMolTorsionIter_swigregister = _openbabel._OBMolTorsionIter_swigregister
|
|
_OBMolTorsionIter_swigregister(_OBMolTorsionIter)
|
|
|
|
class _OBMolPairIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolPairIter_swiginit(self,_openbabel.new__OBMolPairIter(*args))
|
|
def good(*args): return _openbabel._OBMolPairIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolPairIter_inc(*args)
|
|
def __ref__(*args): return _openbabel._OBMolPairIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolPairIter
|
|
__del__ = lambda self : None;
|
|
_OBMolPairIter_swigregister = _openbabel._OBMolPairIter_swigregister
|
|
_OBMolPairIter_swigregister(_OBMolPairIter)
|
|
|
|
class _OBMolRingIter(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel._OBMolRingIter_swiginit(self,_openbabel.new__OBMolRingIter(*args))
|
|
def good(*args): return _openbabel._OBMolRingIter_good(*args)
|
|
def inc(*args): return _openbabel._OBMolRingIter_inc(*args)
|
|
def deref(*args): return _openbabel._OBMolRingIter_deref(*args)
|
|
def __ref__(*args): return _openbabel._OBMolRingIter___ref__(*args)
|
|
__swig_destroy__ = _openbabel.delete__OBMolRingIter
|
|
__del__ = lambda self : None;
|
|
_path = _swig_property(_openbabel._OBMolRingIter__path_get, _openbabel._OBMolRingIter__path_set)
|
|
_pathset = _swig_property(_openbabel._OBMolRingIter__pathset_get, _openbabel._OBMolRingIter__pathset_set)
|
|
def findCenterAndNormal(*args): return _openbabel._OBMolRingIter_findCenterAndNormal(*args)
|
|
def Size(*args): return _openbabel._OBMolRingIter_Size(*args)
|
|
def PathSize(*args): return _openbabel._OBMolRingIter_PathSize(*args)
|
|
def IsMember(*args): return _openbabel._OBMolRingIter_IsMember(*args)
|
|
def IsAromatic(*args): return _openbabel._OBMolRingIter_IsAromatic(*args)
|
|
def IsInRing(*args): return _openbabel._OBMolRingIter_IsInRing(*args)
|
|
def SetParent(*args): return _openbabel._OBMolRingIter_SetParent(*args)
|
|
def GetParent(*args): return _openbabel._OBMolRingIter_GetParent(*args)
|
|
_OBMolRingIter_swigregister = _openbabel._OBMolRingIter_swigregister
|
|
_OBMolRingIter_swigregister(_OBMolRingIter)
|
|
|
|
class OBIter(object):
|
|
OBiterator = None # This is defined by the subclasses
|
|
|
|
def __init__(self, *params):
|
|
self.iter = self.OBiterator(*params)
|
|
self.finished = False
|
|
|
|
def __iter__(self):
|
|
return self
|
|
|
|
def next(self):
|
|
if not self.finished:
|
|
b = self.iter.deref()
|
|
self.iter.inc()
|
|
if not self.iter.good():
|
|
# There is nothing left to iterate over
|
|
self.finished = True
|
|
return b
|
|
else:
|
|
raise StopIteration
|
|
|
|
class OBAtomAtomIter(OBIter):
|
|
"""Iterator over the atoms attached to an atom."""
|
|
OBiterator = _OBAtomAtomIter
|
|
class OBAtomBondIter(OBIter):
|
|
"""Iterator over the bonds attached to an atom."""
|
|
OBiterator = _OBAtomBondIter
|
|
class OBMolAngleIter(OBIter):
|
|
"""Iterator over the angles in a molecule."""
|
|
OBiterator = _OBMolAngleIter
|
|
class OBMolAtomIter(OBIter):
|
|
"""Iterator over the atoms in a molecule."""
|
|
OBiterator = _OBMolAtomIter
|
|
class OBMolAtomBFSIter(OBIter):
|
|
"""Iterator over the atoms in a molecule in a breadth-first manner."""
|
|
OBiterator = _OBMolAtomBFSIter
|
|
class OBMolAtomDFSIter(OBIter):
|
|
"""Iterator over the atoms in a molecule in a depth-first manner."""
|
|
OBiterator = _OBMolAtomDFSIter
|
|
class OBMolBondIter(OBIter):
|
|
"""Iterator over the bonds in a molecule."""
|
|
OBiterator = _OBMolBondIter
|
|
class OBMolPairIter(OBIter):
|
|
"""Iterator over pairs of atoms in a molecule."""
|
|
OBiterator = _OBMolPairIter
|
|
class OBMolRingIter(OBIter):
|
|
"""Iterator over the rings in a molecule."""
|
|
OBiterator = _OBMolRingIter
|
|
class OBMolTorsionIter(OBIter):
|
|
"""Iterator over the torsion angles in a molecule."""
|
|
OBiterator = _OBMolTorsionIter
|
|
class OBResidueIter(OBIter):
|
|
"""Iterator over the residues in a molecule."""
|
|
OBiterator = _OBResidueIter
|
|
class OBResidueAtomIter(OBIter):
|
|
"""Iterator over the atoms in a residue."""
|
|
OBiterator = _OBResidueAtomIter
|
|
|
|
class doubleArray(object):
|
|
thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
|
|
__repr__ = _swig_repr
|
|
def __init__(self, *args):
|
|
_openbabel.doubleArray_swiginit(self,_openbabel.new_doubleArray(*args))
|
|
__swig_destroy__ = _openbabel.delete_doubleArray
|
|
__del__ = lambda self : None;
|
|
def __getitem__(*args): return _openbabel.doubleArray___getitem__(*args)
|
|
def __setitem__(*args): return _openbabel.doubleArray___setitem__(*args)
|
|
def cast(*args): return _openbabel.doubleArray_cast(*args)
|
|
frompointer = staticmethod(_openbabel.doubleArray_frompointer)
|
|
doubleArray_swigregister = _openbabel.doubleArray_swigregister
|
|
doubleArray_swigregister(doubleArray)
|
|
doubleArray_frompointer = _openbabel.doubleArray_frompointer
|
|
|
|
def double_array(mylist):
|
|
"""Create a C array of doubles from a list."""
|
|
c = doubleArray(len(mylist))
|
|
for i,v in enumerate(mylist):
|
|
c[i] = v
|
|
return c
|
|
|
|
|
|
|