import sys if sys.platform.find('linux') != -1: try: import dl except ImportError: import DLFCN as dl sys.setdlopenflags(sys.getdlopenflags() | dl.RTLD_GLOBAL) # This file was automatically generated by SWIG (http://www.swig.org). # Version 2.0.8 # # Do not make changes to this file unless you know what you are doing--modify # the SWIG interface file instead. from sys import version_info if version_info >= (3,0,0): new_instancemethod = lambda func, inst, cls: _openbabel.SWIG_PyInstanceMethod_New(func) else: from new import instancemethod as new_instancemethod if version_info >= (2,6,0): def swig_import_helper(): from os.path import dirname import imp fp = None try: fp, pathname, description = imp.find_module('_openbabel', [dirname(__file__)]) except ImportError: import _openbabel return _openbabel if fp is not None: try: _mod = imp.load_module('_openbabel', fp, pathname, description) finally: fp.close() return _mod _openbabel = swig_import_helper() del swig_import_helper else: import _openbabel del version_info try: _swig_property = property except NameError: pass # Python < 2.2 doesn't have 'property'. def _swig_setattr_nondynamic(self,class_type,name,value,static=1): if (name == "thisown"): return self.this.own(value) if (name == "this"): if type(value).__name__ == 'SwigPyObject': self.__dict__[name] = value return method = class_type.__swig_setmethods__.get(name,None) if method: return method(self,value) if (not static): self.__dict__[name] = value else: raise AttributeError("You cannot add attributes to %s" % self) def _swig_setattr(self,class_type,name,value): return _swig_setattr_nondynamic(self,class_type,name,value,0) def _swig_getattr(self,class_type,name): if (name == "thisown"): return self.this.own() method = class_type.__swig_getmethods__.get(name,None) if method: return method(self) raise AttributeError(name) def _swig_repr(self): try: strthis = "proxy of " + self.this.__repr__() except: strthis = "" return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,) try: _object = object _newclass = 1 except AttributeError: class _object : pass _newclass = 0 def _swig_setattr_nondynamic_method(set): def set_attr(self,name,value): if (name == "thisown"): return self.this.own(value) if hasattr(self,name) or (name == "this"): set(self,name,value) else: raise AttributeError("You cannot add attributes to %s" % self) return set_attr class SwigPyIterator(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_SwigPyIterator def __iter__(self): return self SwigPyIterator.value = new_instancemethod(_openbabel.SwigPyIterator_value,None,SwigPyIterator) SwigPyIterator.incr = new_instancemethod(_openbabel.SwigPyIterator_incr,None,SwigPyIterator) SwigPyIterator.decr = new_instancemethod(_openbabel.SwigPyIterator_decr,None,SwigPyIterator) SwigPyIterator.distance = new_instancemethod(_openbabel.SwigPyIterator_distance,None,SwigPyIterator) SwigPyIterator.equal = new_instancemethod(_openbabel.SwigPyIterator_equal,None,SwigPyIterator) SwigPyIterator.copy = new_instancemethod(_openbabel.SwigPyIterator_copy,None,SwigPyIterator) SwigPyIterator.next = new_instancemethod(_openbabel.SwigPyIterator_next,None,SwigPyIterator) SwigPyIterator.__next__ = new_instancemethod(_openbabel.SwigPyIterator___next__,None,SwigPyIterator) SwigPyIterator.previous = new_instancemethod(_openbabel.SwigPyIterator_previous,None,SwigPyIterator) SwigPyIterator.advance = new_instancemethod(_openbabel.SwigPyIterator_advance,None,SwigPyIterator) SwigPyIterator.__eq__ = new_instancemethod(_openbabel.SwigPyIterator___eq__,None,SwigPyIterator) SwigPyIterator.__ne__ = new_instancemethod(_openbabel.SwigPyIterator___ne__,None,SwigPyIterator) SwigPyIterator.__iadd__ = new_instancemethod(_openbabel.SwigPyIterator___iadd__,None,SwigPyIterator) SwigPyIterator.__isub__ = new_instancemethod(_openbabel.SwigPyIterator___isub__,None,SwigPyIterator) SwigPyIterator.__add__ = new_instancemethod(_openbabel.SwigPyIterator___add__,None,SwigPyIterator) SwigPyIterator.__sub__ = new_instancemethod(_openbabel.SwigPyIterator___sub__,None,SwigPyIterator) SwigPyIterator_swigregister = _openbabel.SwigPyIterator_swigregister SwigPyIterator_swigregister(SwigPyIterator) class vectorInt(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorInt_swiginit(self,_openbabel.new_vectorInt(*args)) __swig_destroy__ = _openbabel.delete_vectorInt vectorInt.iterator = new_instancemethod(_openbabel.vectorInt_iterator,None,vectorInt) vectorInt.__nonzero__ = new_instancemethod(_openbabel.vectorInt___nonzero__,None,vectorInt) vectorInt.__bool__ = new_instancemethod(_openbabel.vectorInt___bool__,None,vectorInt) vectorInt.__len__ = new_instancemethod(_openbabel.vectorInt___len__,None,vectorInt) vectorInt.__getslice__ = new_instancemethod(_openbabel.vectorInt___getslice__,None,vectorInt) vectorInt.__setslice__ = new_instancemethod(_openbabel.vectorInt___setslice__,None,vectorInt) vectorInt.__delslice__ = new_instancemethod(_openbabel.vectorInt___delslice__,None,vectorInt) vectorInt.__delitem__ = new_instancemethod(_openbabel.vectorInt___delitem__,None,vectorInt) vectorInt.__getitem__ = new_instancemethod(_openbabel.vectorInt___getitem__,None,vectorInt) vectorInt.__setitem__ = new_instancemethod(_openbabel.vectorInt___setitem__,None,vectorInt) vectorInt_swigregister = _openbabel.vectorInt_swigregister vectorInt_swigregister(vectorInt) class vectorUnsignedInt(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorUnsignedInt_swiginit(self,_openbabel.new_vectorUnsignedInt(*args)) __swig_destroy__ = _openbabel.delete_vectorUnsignedInt vectorUnsignedInt.iterator = new_instancemethod(_openbabel.vectorUnsignedInt_iterator,None,vectorUnsignedInt) vectorUnsignedInt.__nonzero__ = new_instancemethod(_openbabel.vectorUnsignedInt___nonzero__,None,vectorUnsignedInt) vectorUnsignedInt.__bool__ = new_instancemethod(_openbabel.vectorUnsignedInt___bool__,None,vectorUnsignedInt) vectorUnsignedInt.__len__ = new_instancemethod(_openbabel.vectorUnsignedInt___len__,None,vectorUnsignedInt) vectorUnsignedInt.__getslice__ = new_instancemethod(_openbabel.vectorUnsignedInt___getslice__,None,vectorUnsignedInt) vectorUnsignedInt.__setslice__ = new_instancemethod(_openbabel.vectorUnsignedInt___setslice__,None,vectorUnsignedInt) vectorUnsignedInt.__delslice__ = new_instancemethod(_openbabel.vectorUnsignedInt___delslice__,None,vectorUnsignedInt) vectorUnsignedInt.__delitem__ = new_instancemethod(_openbabel.vectorUnsignedInt___delitem__,None,vectorUnsignedInt) vectorUnsignedInt.__getitem__ = new_instancemethod(_openbabel.vectorUnsignedInt___getitem__,None,vectorUnsignedInt) vectorUnsignedInt.__setitem__ = new_instancemethod(_openbabel.vectorUnsignedInt___setitem__,None,vectorUnsignedInt) vectorUnsignedInt_swigregister = _openbabel.vectorUnsignedInt_swigregister vectorUnsignedInt_swigregister(vectorUnsignedInt) class vectorvInt(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorvInt_swiginit(self,_openbabel.new_vectorvInt(*args)) __swig_destroy__ = _openbabel.delete_vectorvInt vectorvInt.iterator = new_instancemethod(_openbabel.vectorvInt_iterator,None,vectorvInt) vectorvInt.__nonzero__ = new_instancemethod(_openbabel.vectorvInt___nonzero__,None,vectorvInt) vectorvInt.__bool__ = new_instancemethod(_openbabel.vectorvInt___bool__,None,vectorvInt) vectorvInt.__len__ = new_instancemethod(_openbabel.vectorvInt___len__,None,vectorvInt) vectorvInt.__getslice__ = new_instancemethod(_openbabel.vectorvInt___getslice__,None,vectorvInt) vectorvInt.__setslice__ = new_instancemethod(_openbabel.vectorvInt___setslice__,None,vectorvInt) vectorvInt.__delslice__ = new_instancemethod(_openbabel.vectorvInt___delslice__,None,vectorvInt) vectorvInt.__delitem__ = new_instancemethod(_openbabel.vectorvInt___delitem__,None,vectorvInt) vectorvInt.__getitem__ = new_instancemethod(_openbabel.vectorvInt___getitem__,None,vectorvInt) vectorvInt.__setitem__ = new_instancemethod(_openbabel.vectorvInt___setitem__,None,vectorvInt) vectorvInt_swigregister = _openbabel.vectorvInt_swigregister vectorvInt_swigregister(vectorvInt) class vectorDouble(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorDouble_swiginit(self,_openbabel.new_vectorDouble(*args)) __swig_destroy__ = _openbabel.delete_vectorDouble vectorDouble.iterator = new_instancemethod(_openbabel.vectorDouble_iterator,None,vectorDouble) vectorDouble.__nonzero__ = new_instancemethod(_openbabel.vectorDouble___nonzero__,None,vectorDouble) vectorDouble.__bool__ = new_instancemethod(_openbabel.vectorDouble___bool__,None,vectorDouble) vectorDouble.__len__ = new_instancemethod(_openbabel.vectorDouble___len__,None,vectorDouble) vectorDouble.__getslice__ = new_instancemethod(_openbabel.vectorDouble___getslice__,None,vectorDouble) vectorDouble.__setslice__ = new_instancemethod(_openbabel.vectorDouble___setslice__,None,vectorDouble) vectorDouble.__delslice__ = new_instancemethod(_openbabel.vectorDouble___delslice__,None,vectorDouble) vectorDouble.__delitem__ = new_instancemethod(_openbabel.vectorDouble___delitem__,None,vectorDouble) vectorDouble.__getitem__ = new_instancemethod(_openbabel.vectorDouble___getitem__,None,vectorDouble) vectorDouble.__setitem__ = new_instancemethod(_openbabel.vectorDouble___setitem__,None,vectorDouble) vectorDouble_swigregister = _openbabel.vectorDouble_swigregister vectorDouble_swigregister(vectorDouble) class vectorULong(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorULong_swiginit(self,_openbabel.new_vectorULong(*args)) __swig_destroy__ = _openbabel.delete_vectorULong vectorULong.iterator = new_instancemethod(_openbabel.vectorULong_iterator,None,vectorULong) vectorULong.__nonzero__ = new_instancemethod(_openbabel.vectorULong___nonzero__,None,vectorULong) vectorULong.__bool__ = new_instancemethod(_openbabel.vectorULong___bool__,None,vectorULong) vectorULong.__len__ = new_instancemethod(_openbabel.vectorULong___len__,None,vectorULong) vectorULong.__getslice__ = new_instancemethod(_openbabel.vectorULong___getslice__,None,vectorULong) vectorULong.__setslice__ = new_instancemethod(_openbabel.vectorULong___setslice__,None,vectorULong) vectorULong.__delslice__ = new_instancemethod(_openbabel.vectorULong___delslice__,None,vectorULong) vectorULong.__delitem__ = new_instancemethod(_openbabel.vectorULong___delitem__,None,vectorULong) vectorULong.__getitem__ = new_instancemethod(_openbabel.vectorULong___getitem__,None,vectorULong) vectorULong.__setitem__ = new_instancemethod(_openbabel.vectorULong___setitem__,None,vectorULong) vectorULong_swigregister = _openbabel.vectorULong_swigregister vectorULong_swigregister(vectorULong) class vectorString(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorString_swiginit(self,_openbabel.new_vectorString(*args)) __swig_destroy__ = _openbabel.delete_vectorString vectorString.iterator = new_instancemethod(_openbabel.vectorString_iterator,None,vectorString) vectorString.__nonzero__ = new_instancemethod(_openbabel.vectorString___nonzero__,None,vectorString) vectorString.__bool__ = new_instancemethod(_openbabel.vectorString___bool__,None,vectorString) vectorString.__len__ = new_instancemethod(_openbabel.vectorString___len__,None,vectorString) vectorString.__getslice__ = new_instancemethod(_openbabel.vectorString___getslice__,None,vectorString) vectorString.__setslice__ = new_instancemethod(_openbabel.vectorString___setslice__,None,vectorString) vectorString.__delslice__ = new_instancemethod(_openbabel.vectorString___delslice__,None,vectorString) vectorString.__delitem__ = new_instancemethod(_openbabel.vectorString___delitem__,None,vectorString) vectorString.__getitem__ = new_instancemethod(_openbabel.vectorString___getitem__,None,vectorString) vectorString.__setitem__ = new_instancemethod(_openbabel.vectorString___setitem__,None,vectorString) vectorString_swigregister = _openbabel.vectorString_swigregister vectorString_swigregister(vectorString) class vectorVector3(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorVector3_swiginit(self,_openbabel.new_vectorVector3(*args)) __swig_destroy__ = _openbabel.delete_vectorVector3 vectorVector3.iterator = new_instancemethod(_openbabel.vectorVector3_iterator,None,vectorVector3) vectorVector3.__nonzero__ = new_instancemethod(_openbabel.vectorVector3___nonzero__,None,vectorVector3) vectorVector3.__bool__ = new_instancemethod(_openbabel.vectorVector3___bool__,None,vectorVector3) vectorVector3.__len__ = new_instancemethod(_openbabel.vectorVector3___len__,None,vectorVector3) vectorVector3.__getslice__ = new_instancemethod(_openbabel.vectorVector3___getslice__,None,vectorVector3) vectorVector3.__setslice__ = new_instancemethod(_openbabel.vectorVector3___setslice__,None,vectorVector3) vectorVector3.__delslice__ = new_instancemethod(_openbabel.vectorVector3___delslice__,None,vectorVector3) vectorVector3.__delitem__ = new_instancemethod(_openbabel.vectorVector3___delitem__,None,vectorVector3) vectorVector3.__getitem__ = new_instancemethod(_openbabel.vectorVector3___getitem__,None,vectorVector3) vectorVector3.__setitem__ = new_instancemethod(_openbabel.vectorVector3___setitem__,None,vectorVector3) vectorVector3_swigregister = _openbabel.vectorVector3_swigregister vectorVector3_swigregister(vectorVector3) class vectorvVector3(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorvVector3_swiginit(self,_openbabel.new_vectorvVector3(*args)) __swig_destroy__ = _openbabel.delete_vectorvVector3 vectorvVector3.iterator = new_instancemethod(_openbabel.vectorvVector3_iterator,None,vectorvVector3) vectorvVector3.__nonzero__ = new_instancemethod(_openbabel.vectorvVector3___nonzero__,None,vectorvVector3) vectorvVector3.__bool__ = new_instancemethod(_openbabel.vectorvVector3___bool__,None,vectorvVector3) vectorvVector3.__len__ = new_instancemethod(_openbabel.vectorvVector3___len__,None,vectorvVector3) vectorvVector3.__getslice__ = new_instancemethod(_openbabel.vectorvVector3___getslice__,None,vectorvVector3) vectorvVector3.__setslice__ = new_instancemethod(_openbabel.vectorvVector3___setslice__,None,vectorvVector3) vectorvVector3.__delslice__ = new_instancemethod(_openbabel.vectorvVector3___delslice__,None,vectorvVector3) vectorvVector3.__delitem__ = new_instancemethod(_openbabel.vectorvVector3___delitem__,None,vectorvVector3) vectorvVector3.__getitem__ = new_instancemethod(_openbabel.vectorvVector3___getitem__,None,vectorvVector3) vectorvVector3.__setitem__ = new_instancemethod(_openbabel.vectorvVector3___setitem__,None,vectorvVector3) vectorvVector3_swigregister = _openbabel.vectorvVector3_swigregister vectorvVector3_swigregister(vectorvVector3) class vectorOBMol(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorOBMol_swiginit(self,_openbabel.new_vectorOBMol(*args)) __swig_destroy__ = _openbabel.delete_vectorOBMol vectorOBMol.iterator = new_instancemethod(_openbabel.vectorOBMol_iterator,None,vectorOBMol) vectorOBMol.__nonzero__ = new_instancemethod(_openbabel.vectorOBMol___nonzero__,None,vectorOBMol) vectorOBMol.__bool__ = new_instancemethod(_openbabel.vectorOBMol___bool__,None,vectorOBMol) vectorOBMol.__len__ = new_instancemethod(_openbabel.vectorOBMol___len__,None,vectorOBMol) vectorOBMol.__getslice__ = new_instancemethod(_openbabel.vectorOBMol___getslice__,None,vectorOBMol) vectorOBMol.__setslice__ = new_instancemethod(_openbabel.vectorOBMol___setslice__,None,vectorOBMol) vectorOBMol.__delslice__ = new_instancemethod(_openbabel.vectorOBMol___delslice__,None,vectorOBMol) vectorOBMol.__delitem__ = new_instancemethod(_openbabel.vectorOBMol___delitem__,None,vectorOBMol) vectorOBMol.__getitem__ = new_instancemethod(_openbabel.vectorOBMol___getitem__,None,vectorOBMol) vectorOBMol.__setitem__ = new_instancemethod(_openbabel.vectorOBMol___setitem__,None,vectorOBMol) vectorOBMol_swigregister = _openbabel.vectorOBMol_swigregister vectorOBMol_swigregister(vectorOBMol) class vectorOBBond(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorOBBond_swiginit(self,_openbabel.new_vectorOBBond(*args)) __swig_destroy__ = _openbabel.delete_vectorOBBond vectorOBBond.iterator = new_instancemethod(_openbabel.vectorOBBond_iterator,None,vectorOBBond) vectorOBBond.__nonzero__ = new_instancemethod(_openbabel.vectorOBBond___nonzero__,None,vectorOBBond) vectorOBBond.__bool__ = new_instancemethod(_openbabel.vectorOBBond___bool__,None,vectorOBBond) vectorOBBond.__len__ = new_instancemethod(_openbabel.vectorOBBond___len__,None,vectorOBBond) vectorOBBond.__getslice__ = new_instancemethod(_openbabel.vectorOBBond___getslice__,None,vectorOBBond) vectorOBBond.__setslice__ = new_instancemethod(_openbabel.vectorOBBond___setslice__,None,vectorOBBond) vectorOBBond.__delslice__ = new_instancemethod(_openbabel.vectorOBBond___delslice__,None,vectorOBBond) vectorOBBond.__delitem__ = new_instancemethod(_openbabel.vectorOBBond___delitem__,None,vectorOBBond) vectorOBBond.__getitem__ = new_instancemethod(_openbabel.vectorOBBond___getitem__,None,vectorOBBond) vectorOBBond.__setitem__ = new_instancemethod(_openbabel.vectorOBBond___setitem__,None,vectorOBBond) vectorOBBond_swigregister = _openbabel.vectorOBBond_swigregister vectorOBBond_swigregister(vectorOBBond) class vectorOBResidue(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorOBResidue_swiginit(self,_openbabel.new_vectorOBResidue(*args)) __swig_destroy__ = _openbabel.delete_vectorOBResidue vectorOBResidue.iterator = new_instancemethod(_openbabel.vectorOBResidue_iterator,None,vectorOBResidue) vectorOBResidue.__nonzero__ = new_instancemethod(_openbabel.vectorOBResidue___nonzero__,None,vectorOBResidue) vectorOBResidue.__bool__ = new_instancemethod(_openbabel.vectorOBResidue___bool__,None,vectorOBResidue) vectorOBResidue.__len__ = new_instancemethod(_openbabel.vectorOBResidue___len__,None,vectorOBResidue) vectorOBResidue.__getslice__ = new_instancemethod(_openbabel.vectorOBResidue___getslice__,None,vectorOBResidue) vectorOBResidue.__setslice__ = new_instancemethod(_openbabel.vectorOBResidue___setslice__,None,vectorOBResidue) vectorOBResidue.__delslice__ = new_instancemethod(_openbabel.vectorOBResidue___delslice__,None,vectorOBResidue) vectorOBResidue.__delitem__ = new_instancemethod(_openbabel.vectorOBResidue___delitem__,None,vectorOBResidue) vectorOBResidue.__getitem__ = new_instancemethod(_openbabel.vectorOBResidue___getitem__,None,vectorOBResidue) vectorOBResidue.__setitem__ = new_instancemethod(_openbabel.vectorOBResidue___setitem__,None,vectorOBResidue) vectorOBResidue_swigregister = _openbabel.vectorOBResidue_swigregister vectorOBResidue_swigregister(vectorOBResidue) class vectorOBRing(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorOBRing_swiginit(self,_openbabel.new_vectorOBRing(*args)) __swig_destroy__ = _openbabel.delete_vectorOBRing vectorOBRing.iterator = new_instancemethod(_openbabel.vectorOBRing_iterator,None,vectorOBRing) vectorOBRing.__nonzero__ = new_instancemethod(_openbabel.vectorOBRing___nonzero__,None,vectorOBRing) vectorOBRing.__bool__ = new_instancemethod(_openbabel.vectorOBRing___bool__,None,vectorOBRing) vectorOBRing.__len__ = new_instancemethod(_openbabel.vectorOBRing___len__,None,vectorOBRing) vectorOBRing.__getslice__ = new_instancemethod(_openbabel.vectorOBRing___getslice__,None,vectorOBRing) vectorOBRing.__setslice__ = new_instancemethod(_openbabel.vectorOBRing___setslice__,None,vectorOBRing) vectorOBRing.__delslice__ = new_instancemethod(_openbabel.vectorOBRing___delslice__,None,vectorOBRing) vectorOBRing.__delitem__ = new_instancemethod(_openbabel.vectorOBRing___delitem__,None,vectorOBRing) vectorOBRing.__getitem__ = new_instancemethod(_openbabel.vectorOBRing___getitem__,None,vectorOBRing) vectorOBRing.__setitem__ = new_instancemethod(_openbabel.vectorOBRing___setitem__,None,vectorOBRing) vectorOBRing_swigregister = _openbabel.vectorOBRing_swigregister vectorOBRing_swigregister(vectorOBRing) class vectorpOBRing(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorpOBRing_swiginit(self,_openbabel.new_vectorpOBRing(*args)) __swig_destroy__ = _openbabel.delete_vectorpOBRing vectorpOBRing.iterator = new_instancemethod(_openbabel.vectorpOBRing_iterator,None,vectorpOBRing) vectorpOBRing.__nonzero__ = new_instancemethod(_openbabel.vectorpOBRing___nonzero__,None,vectorpOBRing) vectorpOBRing.__bool__ = new_instancemethod(_openbabel.vectorpOBRing___bool__,None,vectorpOBRing) vectorpOBRing.__len__ = new_instancemethod(_openbabel.vectorpOBRing___len__,None,vectorpOBRing) vectorpOBRing.__getslice__ = new_instancemethod(_openbabel.vectorpOBRing___getslice__,None,vectorpOBRing) vectorpOBRing.__setslice__ = new_instancemethod(_openbabel.vectorpOBRing___setslice__,None,vectorpOBRing) vectorpOBRing.__delslice__ = new_instancemethod(_openbabel.vectorpOBRing___delslice__,None,vectorpOBRing) vectorpOBRing.__delitem__ = new_instancemethod(_openbabel.vectorpOBRing___delitem__,None,vectorpOBRing) vectorpOBRing.__getitem__ = new_instancemethod(_openbabel.vectorpOBRing___getitem__,None,vectorpOBRing) vectorpOBRing.__setitem__ = new_instancemethod(_openbabel.vectorpOBRing___setitem__,None,vectorpOBRing) vectorpOBRing_swigregister = _openbabel.vectorpOBRing_swigregister vectorpOBRing_swigregister(vectorpOBRing) class vectorpOBGenericData(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorpOBGenericData_swiginit(self,_openbabel.new_vectorpOBGenericData(*args)) __swig_destroy__ = _openbabel.delete_vectorpOBGenericData vectorpOBGenericData.iterator = new_instancemethod(_openbabel.vectorpOBGenericData_iterator,None,vectorpOBGenericData) vectorpOBGenericData.__nonzero__ = new_instancemethod(_openbabel.vectorpOBGenericData___nonzero__,None,vectorpOBGenericData) vectorpOBGenericData.__bool__ = new_instancemethod(_openbabel.vectorpOBGenericData___bool__,None,vectorpOBGenericData) vectorpOBGenericData.__len__ = new_instancemethod(_openbabel.vectorpOBGenericData___len__,None,vectorpOBGenericData) vectorpOBGenericData.__getslice__ = new_instancemethod(_openbabel.vectorpOBGenericData___getslice__,None,vectorpOBGenericData) vectorpOBGenericData.__setslice__ = new_instancemethod(_openbabel.vectorpOBGenericData___setslice__,None,vectorpOBGenericData) vectorpOBGenericData.__delslice__ = new_instancemethod(_openbabel.vectorpOBGenericData___delslice__,None,vectorpOBGenericData) vectorpOBGenericData.__delitem__ = new_instancemethod(_openbabel.vectorpOBGenericData___delitem__,None,vectorpOBGenericData) vectorpOBGenericData.__getitem__ = new_instancemethod(_openbabel.vectorpOBGenericData___getitem__,None,vectorpOBGenericData) vectorpOBGenericData.__setitem__ = new_instancemethod(_openbabel.vectorpOBGenericData___setitem__,None,vectorpOBGenericData) vectorpOBGenericData_swigregister = _openbabel.vectorpOBGenericData_swigregister vectorpOBGenericData_swigregister(vectorpOBGenericData) class vectorpOBInternalCoord(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vectorpOBInternalCoord_swiginit(self,_openbabel.new_vectorpOBInternalCoord(*args)) __swig_destroy__ = _openbabel.delete_vectorpOBInternalCoord vectorpOBInternalCoord.iterator = new_instancemethod(_openbabel.vectorpOBInternalCoord_iterator,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__nonzero__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___nonzero__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__bool__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___bool__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__len__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___len__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__getslice__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___getslice__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__setslice__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___setslice__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__delslice__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___delslice__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__delitem__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___delitem__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__getitem__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___getitem__,None,vectorpOBInternalCoord) vectorpOBInternalCoord.__setitem__ = new_instancemethod(_openbabel.vectorpOBInternalCoord___setitem__,None,vectorpOBInternalCoord) vectorpOBInternalCoord_swigregister = _openbabel.vectorpOBInternalCoord_swigregister vectorpOBInternalCoord_swigregister(vectorpOBInternalCoord) class pairUIntUInt(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.pairUIntUInt_swiginit(self,_openbabel.new_pairUIntUInt(*args)) first = _swig_property(_openbabel.pairUIntUInt_first_get, _openbabel.pairUIntUInt_first_set) second = _swig_property(_openbabel.pairUIntUInt_second_get, _openbabel.pairUIntUInt_second_set) def __len__(self): return 2 def __repr__(self): return str((self.first, self.second)) def __getitem__(self, index): if not (index % 2): return self.first else: return self.second def __setitem__(self, index, val): if not (index % 2): self.first = val else: self.second = val __swig_destroy__ = _openbabel.delete_pairUIntUInt pairUIntUInt_swigregister = _openbabel.pairUIntUInt_swigregister pairUIntUInt_swigregister(pairUIntUInt) class vpairUIntUInt(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vpairUIntUInt_swiginit(self,_openbabel.new_vpairUIntUInt(*args)) __swig_destroy__ = _openbabel.delete_vpairUIntUInt vpairUIntUInt.iterator = new_instancemethod(_openbabel.vpairUIntUInt_iterator,None,vpairUIntUInt) vpairUIntUInt.__nonzero__ = new_instancemethod(_openbabel.vpairUIntUInt___nonzero__,None,vpairUIntUInt) vpairUIntUInt.__bool__ = new_instancemethod(_openbabel.vpairUIntUInt___bool__,None,vpairUIntUInt) vpairUIntUInt.__len__ = new_instancemethod(_openbabel.vpairUIntUInt___len__,None,vpairUIntUInt) vpairUIntUInt.__getslice__ = new_instancemethod(_openbabel.vpairUIntUInt___getslice__,None,vpairUIntUInt) vpairUIntUInt.__setslice__ = new_instancemethod(_openbabel.vpairUIntUInt___setslice__,None,vpairUIntUInt) vpairUIntUInt.__delslice__ = new_instancemethod(_openbabel.vpairUIntUInt___delslice__,None,vpairUIntUInt) vpairUIntUInt.__delitem__ = new_instancemethod(_openbabel.vpairUIntUInt___delitem__,None,vpairUIntUInt) vpairUIntUInt.__getitem__ = new_instancemethod(_openbabel.vpairUIntUInt___getitem__,None,vpairUIntUInt) vpairUIntUInt.__setitem__ = new_instancemethod(_openbabel.vpairUIntUInt___setitem__,None,vpairUIntUInt) vpairUIntUInt_swigregister = _openbabel.vpairUIntUInt_swigregister vpairUIntUInt_swigregister(vpairUIntUInt) class vvpairUIntUInt(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr def __iter__(self): return self.iterator() def __init__(self, *args): _openbabel.vvpairUIntUInt_swiginit(self,_openbabel.new_vvpairUIntUInt(*args)) __swig_destroy__ = _openbabel.delete_vvpairUIntUInt vvpairUIntUInt.iterator = new_instancemethod(_openbabel.vvpairUIntUInt_iterator,None,vvpairUIntUInt) vvpairUIntUInt.__nonzero__ = new_instancemethod(_openbabel.vvpairUIntUInt___nonzero__,None,vvpairUIntUInt) vvpairUIntUInt.__bool__ = new_instancemethod(_openbabel.vvpairUIntUInt___bool__,None,vvpairUIntUInt) vvpairUIntUInt.__len__ = new_instancemethod(_openbabel.vvpairUIntUInt___len__,None,vvpairUIntUInt) vvpairUIntUInt.pop = new_instancemethod(_openbabel.vvpairUIntUInt_pop,None,vvpairUIntUInt) vvpairUIntUInt.__getslice__ = new_instancemethod(_openbabel.vvpairUIntUInt___getslice__,None,vvpairUIntUInt) vvpairUIntUInt.__setslice__ = new_instancemethod(_openbabel.vvpairUIntUInt___setslice__,None,vvpairUIntUInt) vvpairUIntUInt.__delslice__ = new_instancemethod(_openbabel.vvpairUIntUInt___delslice__,None,vvpairUIntUInt) vvpairUIntUInt.__delitem__ = new_instancemethod(_openbabel.vvpairUIntUInt___delitem__,None,vvpairUIntUInt) vvpairUIntUInt.__getitem__ = new_instancemethod(_openbabel.vvpairUIntUInt___getitem__,None,vvpairUIntUInt) vvpairUIntUInt.__setitem__ = new_instancemethod(_openbabel.vvpairUIntUInt___setitem__,None,vvpairUIntUInt) vvpairUIntUInt.append = new_instancemethod(_openbabel.vvpairUIntUInt_append,None,vvpairUIntUInt) vvpairUIntUInt.empty = new_instancemethod(_openbabel.vvpairUIntUInt_empty,None,vvpairUIntUInt) vvpairUIntUInt.size = new_instancemethod(_openbabel.vvpairUIntUInt_size,None,vvpairUIntUInt) vvpairUIntUInt.clear = new_instancemethod(_openbabel.vvpairUIntUInt_clear,None,vvpairUIntUInt) vvpairUIntUInt.swap = new_instancemethod(_openbabel.vvpairUIntUInt_swap,None,vvpairUIntUInt) vvpairUIntUInt.get_allocator = new_instancemethod(_openbabel.vvpairUIntUInt_get_allocator,None,vvpairUIntUInt) vvpairUIntUInt.begin = new_instancemethod(_openbabel.vvpairUIntUInt_begin,None,vvpairUIntUInt) vvpairUIntUInt.end = new_instancemethod(_openbabel.vvpairUIntUInt_end,None,vvpairUIntUInt) vvpairUIntUInt.rbegin = new_instancemethod(_openbabel.vvpairUIntUInt_rbegin,None,vvpairUIntUInt) vvpairUIntUInt.rend = new_instancemethod(_openbabel.vvpairUIntUInt_rend,None,vvpairUIntUInt) vvpairUIntUInt.pop_back = new_instancemethod(_openbabel.vvpairUIntUInt_pop_back,None,vvpairUIntUInt) vvpairUIntUInt.erase = new_instancemethod(_openbabel.vvpairUIntUInt_erase,None,vvpairUIntUInt) vvpairUIntUInt.push_back = new_instancemethod(_openbabel.vvpairUIntUInt_push_back,None,vvpairUIntUInt) vvpairUIntUInt.front = new_instancemethod(_openbabel.vvpairUIntUInt_front,None,vvpairUIntUInt) vvpairUIntUInt.back = new_instancemethod(_openbabel.vvpairUIntUInt_back,None,vvpairUIntUInt) vvpairUIntUInt.assign = new_instancemethod(_openbabel.vvpairUIntUInt_assign,None,vvpairUIntUInt) vvpairUIntUInt.resize = new_instancemethod(_openbabel.vvpairUIntUInt_resize,None,vvpairUIntUInt) vvpairUIntUInt.insert = new_instancemethod(_openbabel.vvpairUIntUInt_insert,None,vvpairUIntUInt) vvpairUIntUInt.reserve = new_instancemethod(_openbabel.vvpairUIntUInt_reserve,None,vvpairUIntUInt) vvpairUIntUInt.capacity = new_instancemethod(_openbabel.vvpairUIntUInt_capacity,None,vvpairUIntUInt) vvpairUIntUInt_swigregister = _openbabel.vvpairUIntUInt_swigregister vvpairUIntUInt_swigregister(vvpairUIntUInt) def toAliasData(*args): return _openbabel.toAliasData(*args) toAliasData = _openbabel.toAliasData def toAngleData(*args): return _openbabel.toAngleData(*args) toAngleData = _openbabel.toAngleData def toAtomClassData(*args): return _openbabel.toAtomClassData(*args) toAtomClassData = _openbabel.toAtomClassData def toChiralData(*args): return _openbabel.toChiralData(*args) toChiralData = _openbabel.toChiralData def toCommentData(*args): return _openbabel.toCommentData(*args) toCommentData = _openbabel.toCommentData def toConformerData(*args): return _openbabel.toConformerData(*args) toConformerData = _openbabel.toConformerData def toExternalBondData(*args): return _openbabel.toExternalBondData(*args) toExternalBondData = _openbabel.toExternalBondData def toGridData(*args): return _openbabel.toGridData(*args) toGridData = _openbabel.toGridData def toMatrixData(*args): return _openbabel.toMatrixData(*args) toMatrixData = _openbabel.toMatrixData def toNasaThermoData(*args): return _openbabel.toNasaThermoData(*args) toNasaThermoData = _openbabel.toNasaThermoData def toPairData(*args): return _openbabel.toPairData(*args) toPairData = _openbabel.toPairData def toRateData(*args): return _openbabel.toRateData(*args) toRateData = _openbabel.toRateData def toRotamerList(*args): return _openbabel.toRotamerList(*args) toRotamerList = _openbabel.toRotamerList def toRotationData(*args): return _openbabel.toRotationData(*args) toRotationData = _openbabel.toRotationData def toSerialNums(*args): return _openbabel.toSerialNums(*args) toSerialNums = _openbabel.toSerialNums def toSetData(*args): return _openbabel.toSetData(*args) toSetData = _openbabel.toSetData def toSymmetryData(*args): return _openbabel.toSymmetryData(*args) toSymmetryData = _openbabel.toSymmetryData def toTorsionData(*args): return _openbabel.toTorsionData(*args) toTorsionData = _openbabel.toTorsionData def toUnitCell(*args): return _openbabel.toUnitCell(*args) toUnitCell = _openbabel.toUnitCell def toVectorData(*args): return _openbabel.toVectorData(*args) toVectorData = _openbabel.toVectorData def toVibrationData(*args): return _openbabel.toVibrationData(*args) toVibrationData = _openbabel.toVibrationData def toVirtualBond(*args): return _openbabel.toVirtualBond(*args) toVirtualBond = _openbabel.toVirtualBond def toTetrahedralStereo(*args): return _openbabel.toTetrahedralStereo(*args) toTetrahedralStereo = _openbabel.toTetrahedralStereo def toCisTransStereo(*args): return _openbabel.toCisTransStereo(*args) toCisTransStereo = _openbabel.toCisTransStereo def toSquarePlanarStereo(*args): return _openbabel.toSquarePlanarStereo(*args) toSquarePlanarStereo = _openbabel.toSquarePlanarStereo 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): _openbabel.OBGlobalDataBase_swiginit(self,_openbabel.new_OBGlobalDataBase()) __swig_destroy__ = _openbabel.delete_OBGlobalDataBase OBGlobalDataBase.Init = new_instancemethod(_openbabel.OBGlobalDataBase_Init,None,OBGlobalDataBase) OBGlobalDataBase.GetSize = new_instancemethod(_openbabel.OBGlobalDataBase_GetSize,None,OBGlobalDataBase) OBGlobalDataBase.SetReadDirectory = new_instancemethod(_openbabel.OBGlobalDataBase_SetReadDirectory,None,OBGlobalDataBase) OBGlobalDataBase.SetEnvironmentVariable = new_instancemethod(_openbabel.OBGlobalDataBase_SetEnvironmentVariable,None,OBGlobalDataBase) OBGlobalDataBase.ParseLine = new_instancemethod(_openbabel.OBGlobalDataBase_ParseLine,None,OBGlobalDataBase) 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)) __swig_destroy__ = _openbabel.delete_OBElement OBElement.GetAtomicNum = new_instancemethod(_openbabel.OBElement_GetAtomicNum,None,OBElement) OBElement.GetSymbol = new_instancemethod(_openbabel.OBElement_GetSymbol,None,OBElement) OBElement.GetCovalentRad = new_instancemethod(_openbabel.OBElement_GetCovalentRad,None,OBElement) OBElement.GetVdwRad = new_instancemethod(_openbabel.OBElement_GetVdwRad,None,OBElement) OBElement.GetMass = new_instancemethod(_openbabel.OBElement_GetMass,None,OBElement) OBElement.GetMaxBonds = new_instancemethod(_openbabel.OBElement_GetMaxBonds,None,OBElement) OBElement.GetElectroNeg = new_instancemethod(_openbabel.OBElement_GetElectroNeg,None,OBElement) OBElement.GetAllredRochowElectroNeg = new_instancemethod(_openbabel.OBElement_GetAllredRochowElectroNeg,None,OBElement) OBElement.GetIonization = new_instancemethod(_openbabel.OBElement_GetIonization,None,OBElement) OBElement.GetElectronAffinity = new_instancemethod(_openbabel.OBElement_GetElectronAffinity,None,OBElement) OBElement.GetName = new_instancemethod(_openbabel.OBElement_GetName,None,OBElement) OBElement.GetRed = new_instancemethod(_openbabel.OBElement_GetRed,None,OBElement) OBElement.GetGreen = new_instancemethod(_openbabel.OBElement_GetGreen,None,OBElement) OBElement.GetBlue = new_instancemethod(_openbabel.OBElement_GetBlue,None,OBElement) 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): _openbabel.OBElementTable_swiginit(self,_openbabel.new_OBElementTable()) __swig_destroy__ = _openbabel.delete_OBElementTable OBElementTable.GetNumberOfElements = new_instancemethod(_openbabel.OBElementTable_GetNumberOfElements,None,OBElementTable) OBElementTable.GetAtomicNum = new_instancemethod(_openbabel.OBElementTable_GetAtomicNum,None,OBElementTable) OBElementTable.GetSymbol = new_instancemethod(_openbabel.OBElementTable_GetSymbol,None,OBElementTable) OBElementTable.GetVdwRad = new_instancemethod(_openbabel.OBElementTable_GetVdwRad,None,OBElementTable) OBElementTable.GetCovalentRad = new_instancemethod(_openbabel.OBElementTable_GetCovalentRad,None,OBElementTable) OBElementTable.GetMass = new_instancemethod(_openbabel.OBElementTable_GetMass,None,OBElementTable) OBElementTable.CorrectedBondRad = new_instancemethod(_openbabel.OBElementTable_CorrectedBondRad,None,OBElementTable) OBElementTable.CorrectedVdwRad = new_instancemethod(_openbabel.OBElementTable_CorrectedVdwRad,None,OBElementTable) OBElementTable.GetMaxBonds = new_instancemethod(_openbabel.OBElementTable_GetMaxBonds,None,OBElementTable) OBElementTable.GetElectroNeg = new_instancemethod(_openbabel.OBElementTable_GetElectroNeg,None,OBElementTable) OBElementTable.GetAllredRochowElectroNeg = new_instancemethod(_openbabel.OBElementTable_GetAllredRochowElectroNeg,None,OBElementTable) OBElementTable.GetIonization = new_instancemethod(_openbabel.OBElementTable_GetIonization,None,OBElementTable) OBElementTable.GetElectronAffinity = new_instancemethod(_openbabel.OBElementTable_GetElectronAffinity,None,OBElementTable) OBElementTable.GetRGB = new_instancemethod(_openbabel.OBElementTable_GetRGB,None,OBElementTable) OBElementTable.GetName = new_instancemethod(_openbabel.OBElementTable_GetName,None,OBElementTable) 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): _openbabel.OBIsotopeTable_swiginit(self,_openbabel.new_OBIsotopeTable()) __swig_destroy__ = _openbabel.delete_OBIsotopeTable OBIsotopeTable.GetExactMass = new_instancemethod(_openbabel.OBIsotopeTable_GetExactMass,None,OBIsotopeTable) 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): _openbabel.OBTypeTable_swiginit(self,_openbabel.new_OBTypeTable()) __swig_destroy__ = _openbabel.delete_OBTypeTable OBTypeTable.SetFromType = new_instancemethod(_openbabel.OBTypeTable_SetFromType,None,OBTypeTable) OBTypeTable.SetToType = new_instancemethod(_openbabel.OBTypeTable_SetToType,None,OBTypeTable) OBTypeTable.Translate = new_instancemethod(_openbabel.OBTypeTable_Translate,None,OBTypeTable) OBTypeTable.GetFromType = new_instancemethod(_openbabel.OBTypeTable_GetFromType,None,OBTypeTable) OBTypeTable.GetToType = new_instancemethod(_openbabel.OBTypeTable_GetToType,None,OBTypeTable) 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): _openbabel.OBResidueData_swiginit(self,_openbabel.new_OBResidueData()) __swig_destroy__ = _openbabel.delete_OBResidueData OBResidueData.SetResName = new_instancemethod(_openbabel.OBResidueData_SetResName,None,OBResidueData) OBResidueData.LookupBO = new_instancemethod(_openbabel.OBResidueData_LookupBO,None,OBResidueData) OBResidueData.LookupType = new_instancemethod(_openbabel.OBResidueData_LookupType,None,OBResidueData) OBResidueData.AssignBonds = new_instancemethod(_openbabel.OBResidueData_AssignBonds,None,OBResidueData) OBResidueData_swigregister = _openbabel.OBResidueData_swigregister OBResidueData_swigregister(OBResidueData) 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): _openbabel.DoubleType_swiginit(self,_openbabel.new_DoubleType()) __swig_destroy__ = _openbabel.delete_DoubleType DoubleType_swigregister = _openbabel.DoubleType_swigregister DoubleType_swigregister(DoubleType) def DoubleMultiply(*args): return _openbabel.DoubleMultiply(*args) DoubleMultiply = _openbabel.DoubleMultiply def DoubleAdd(*args): return _openbabel.DoubleAdd(*args) DoubleAdd = _openbabel.DoubleAdd def DoubleModulus(*args): return _openbabel.DoubleModulus(*args) 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, useSys=False): _openbabel.OBRandom_swiginit(self,_openbabel.new_OBRandom(useSys)) __swig_destroy__ = _openbabel.delete_OBRandom OBRandom.Seed = new_instancemethod(_openbabel.OBRandom_Seed,None,OBRandom) OBRandom.TimeSeed = new_instancemethod(_openbabel.OBRandom_TimeSeed,None,OBRandom) OBRandom.NextInt = new_instancemethod(_openbabel.OBRandom_NextInt,None,OBRandom) OBRandom.NextFloat = new_instancemethod(_openbabel.OBRandom_NextFloat,None,OBRandom) 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 __init__(self): _openbabel.OBStopwatch_swiginit(self,_openbabel.new_OBStopwatch()) __swig_destroy__ = _openbabel.delete_OBStopwatch OBStopwatch.Start = new_instancemethod(_openbabel.OBStopwatch_Start,None,OBStopwatch) OBStopwatch.Lap = new_instancemethod(_openbabel.OBStopwatch_Lap,None,OBStopwatch) OBStopwatch.Elapsed = new_instancemethod(_openbabel.OBStopwatch_Elapsed,None,OBStopwatch) 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 OBSqrtTbl.Sqrt = new_instancemethod(_openbabel.OBSqrtTbl_Sqrt,None,OBSqrtTbl) OBSqrtTbl.Init = new_instancemethod(_openbabel.OBSqrtTbl_Init,None,OBSqrtTbl) OBSqrtTbl_swigregister = _openbabel.OBSqrtTbl_swigregister OBSqrtTbl_swigregister(OBSqrtTbl) def rotate_coords(*args): return _openbabel.rotate_coords(*args) rotate_coords = _openbabel.rotate_coords def calc_rms(*args): return _openbabel.calc_rms(*args) calc_rms = _openbabel.calc_rms 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)) __swig_destroy__ = _openbabel.delete_vector3 vector3.Set = new_instancemethod(_openbabel.vector3_Set,None,vector3) vector3.SetX = new_instancemethod(_openbabel.vector3_SetX,None,vector3) vector3.SetY = new_instancemethod(_openbabel.vector3_SetY,None,vector3) vector3.SetZ = new_instancemethod(_openbabel.vector3_SetZ,None,vector3) vector3.GetX = new_instancemethod(_openbabel.vector3_GetX,None,vector3) vector3.GetY = new_instancemethod(_openbabel.vector3_GetY,None,vector3) vector3.GetZ = new_instancemethod(_openbabel.vector3_GetZ,None,vector3) vector3.Get = new_instancemethod(_openbabel.vector3_Get,None,vector3) vector3.AsArray = new_instancemethod(_openbabel.vector3_AsArray,None,vector3) vector3.__iadd__ = new_instancemethod(_openbabel.vector3___iadd__,None,vector3) vector3.__isub__ = new_instancemethod(_openbabel.vector3___isub__,None,vector3) vector3.__idiv__ = new_instancemethod(_openbabel.vector3___idiv__,None,vector3) vector3.__imul__ = new_instancemethod(_openbabel.vector3___imul__,None,vector3) vector3.randomUnitVector = new_instancemethod(_openbabel.vector3_randomUnitVector,None,vector3) vector3.normalize = new_instancemethod(_openbabel.vector3_normalize,None,vector3) vector3.CanBeNormalized = new_instancemethod(_openbabel.vector3_CanBeNormalized,None,vector3) vector3.length_2 = new_instancemethod(_openbabel.vector3_length_2,None,vector3) vector3.length = new_instancemethod(_openbabel.vector3_length,None,vector3) vector3.x = new_instancemethod(_openbabel.vector3_x,None,vector3) vector3.y = new_instancemethod(_openbabel.vector3_y,None,vector3) vector3.z = new_instancemethod(_openbabel.vector3_z,None,vector3) vector3.__eq__ = new_instancemethod(_openbabel.vector3___eq__,None,vector3) vector3.__ne__ = new_instancemethod(_openbabel.vector3___ne__,None,vector3) vector3.IsApprox = new_instancemethod(_openbabel.vector3_IsApprox,None,vector3) vector3.distSq = new_instancemethod(_openbabel.vector3_distSq,None,vector3) vector3.createOrthoVector = new_instancemethod(_openbabel.vector3_createOrthoVector,None,vector3) vector3_swigregister = _openbabel.vector3_swigregister vector3_swigregister(vector3) def __lshift__(*args): return _openbabel.__lshift__(*args) __lshift__ = _openbabel.__lshift__ def __add__(*args): return _openbabel.__add__(*args) __add__ = _openbabel.__add__ def __sub__(*args): return _openbabel.__sub__(*args) __sub__ = _openbabel.__sub__ def __div__(*args): return _openbabel.__div__(*args) __div__ = _openbabel.__div__ def __mul__(*args): return _openbabel.__mul__(*args) __mul__ = _openbabel.__mul__ def dot(*args): return _openbabel.dot(*args) dot = _openbabel.dot def cross(*args): return _openbabel.cross(*args) cross = _openbabel.cross def vectorAngle(*args): return _openbabel.vectorAngle(*args) vectorAngle = _openbabel.vectorAngle def CalcTorsionAngle(*args): return _openbabel.CalcTorsionAngle(*args) CalcTorsionAngle = _openbabel.CalcTorsionAngle def Point2PlaneSigned(*args): return _openbabel.Point2PlaneSigned(*args) Point2PlaneSigned = _openbabel.Point2PlaneSigned def Point2Plane(*args): return _openbabel.Point2Plane(*args) Point2Plane = _openbabel.Point2Plane def Point2PlaneAngle(*args): return _openbabel.Point2PlaneAngle(*args) Point2PlaneAngle = _openbabel.Point2PlaneAngle def Point2Line(*args): return _openbabel.Point2Line(*args) Point2Line = _openbabel.Point2Line class matrix3x3(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.matrix3x3_swiginit(self,_openbabel.new_matrix3x3(*args)) __swig_destroy__ = _openbabel.delete_matrix3x3 jacobi = staticmethod(_openbabel.matrix3x3_jacobi) matrix3x3.GetArray = new_instancemethod(_openbabel.matrix3x3_GetArray,None,matrix3x3) matrix3x3.__call__ = new_instancemethod(_openbabel.matrix3x3___call__,None,matrix3x3) matrix3x3.inverse = new_instancemethod(_openbabel.matrix3x3_inverse,None,matrix3x3) matrix3x3.transpose = new_instancemethod(_openbabel.matrix3x3_transpose,None,matrix3x3) matrix3x3.randomRotation = new_instancemethod(_openbabel.matrix3x3_randomRotation,None,matrix3x3) matrix3x3.determinant = new_instancemethod(_openbabel.matrix3x3_determinant,None,matrix3x3) matrix3x3.isSymmetric = new_instancemethod(_openbabel.matrix3x3_isSymmetric,None,matrix3x3) matrix3x3.isOrthogonal = new_instancemethod(_openbabel.matrix3x3_isOrthogonal,None,matrix3x3) matrix3x3.isDiagonal = new_instancemethod(_openbabel.matrix3x3_isDiagonal,None,matrix3x3) matrix3x3.isUnitMatrix = new_instancemethod(_openbabel.matrix3x3_isUnitMatrix,None,matrix3x3) matrix3x3.Get = new_instancemethod(_openbabel.matrix3x3_Get,None,matrix3x3) matrix3x3.Set = new_instancemethod(_openbabel.matrix3x3_Set,None,matrix3x3) matrix3x3.SetColumn = new_instancemethod(_openbabel.matrix3x3_SetColumn,None,matrix3x3) matrix3x3.SetRow = new_instancemethod(_openbabel.matrix3x3_SetRow,None,matrix3x3) matrix3x3.GetColumn = new_instancemethod(_openbabel.matrix3x3_GetColumn,None,matrix3x3) matrix3x3.GetRow = new_instancemethod(_openbabel.matrix3x3_GetRow,None,matrix3x3) matrix3x3.__imul__ = new_instancemethod(_openbabel.matrix3x3___imul__,None,matrix3x3) matrix3x3.__idiv__ = new_instancemethod(_openbabel.matrix3x3___idiv__,None,matrix3x3) matrix3x3.SetupRotMat = new_instancemethod(_openbabel.matrix3x3_SetupRotMat,None,matrix3x3) matrix3x3.PlaneReflection = new_instancemethod(_openbabel.matrix3x3_PlaneReflection,None,matrix3x3) matrix3x3.RotAboutAxisByAngle = new_instancemethod(_openbabel.matrix3x3_RotAboutAxisByAngle,None,matrix3x3) matrix3x3.FillOrth = new_instancemethod(_openbabel.matrix3x3_FillOrth,None,matrix3x3) matrix3x3.findEigenvectorsIfSymmetric = new_instancemethod(_openbabel.matrix3x3_findEigenvectorsIfSymmetric,None,matrix3x3) matrix3x3_swigregister = _openbabel.matrix3x3_swigregister matrix3x3_swigregister(matrix3x3) cvar = _openbabel.cvar VZero = cvar.VZero VX = cvar.VX VY = cvar.VY VZ = cvar.VZ def matrix3x3_jacobi(*args): return _openbabel.matrix3x3_jacobi(*args) matrix3x3_jacobi = _openbabel.matrix3x3_jacobi class transform3d(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.transform3d_swiginit(self,_openbabel.new_transform3d(*args)) __swig_destroy__ = _openbabel.delete_transform3d transform3d.__mul__ = new_instancemethod(_openbabel.transform3d___mul__,None,transform3d) transform3d.DescribeAsString = new_instancemethod(_openbabel.transform3d_DescribeAsString,None,transform3d) transform3d.DescribeAsValues = new_instancemethod(_openbabel.transform3d_DescribeAsValues,None,transform3d) transform3d.Normalize = new_instancemethod(_openbabel.transform3d_Normalize,None,transform3d) transform3d_swigregister = _openbabel.transform3d_swigregister transform3d_swigregister(transform3d) class SpaceGroup(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): _openbabel.SpaceGroup_swiginit(self,_openbabel.new_SpaceGroup()) __swig_destroy__ = _openbabel.delete_SpaceGroup GetSpaceGroup = staticmethod(_openbabel.SpaceGroup_GetSpaceGroup) Find = staticmethod(_openbabel.SpaceGroup_Find) SpaceGroup.SetHMName = new_instancemethod(_openbabel.SpaceGroup_SetHMName,None,SpaceGroup) SpaceGroup.SetHallName = new_instancemethod(_openbabel.SpaceGroup_SetHallName,None,SpaceGroup) SpaceGroup.SetId = new_instancemethod(_openbabel.SpaceGroup_SetId,None,SpaceGroup) SpaceGroup.AddTransform = new_instancemethod(_openbabel.SpaceGroup_AddTransform,None,SpaceGroup) SpaceGroup.GetHMName = new_instancemethod(_openbabel.SpaceGroup_GetHMName,None,SpaceGroup) SpaceGroup.GetHallName = new_instancemethod(_openbabel.SpaceGroup_GetHallName,None,SpaceGroup) SpaceGroup.GetId = new_instancemethod(_openbabel.SpaceGroup_GetId,None,SpaceGroup) SpaceGroup.Transform = new_instancemethod(_openbabel.SpaceGroup_Transform,None,SpaceGroup) SpaceGroup.BeginTransform = new_instancemethod(_openbabel.SpaceGroup_BeginTransform,None,SpaceGroup) SpaceGroup.NextTransform = new_instancemethod(_openbabel.SpaceGroup_NextTransform,None,SpaceGroup) SpaceGroup.__eq__ = new_instancemethod(_openbabel.SpaceGroup___eq__,None,SpaceGroup) SpaceGroup.__ne__ = new_instancemethod(_openbabel.SpaceGroup___ne__,None,SpaceGroup) SpaceGroup.IsValid = new_instancemethod(_openbabel.SpaceGroup_IsValid,None,SpaceGroup) SpaceGroup_swigregister = _openbabel.SpaceGroup_swigregister SpaceGroup_swigregister(SpaceGroup) def SpaceGroup_GetSpaceGroup(*args): return _openbabel.SpaceGroup_GetSpaceGroup(*args) SpaceGroup_GetSpaceGroup = _openbabel.SpaceGroup_GetSpaceGroup def SpaceGroup_Find(*args): return _openbabel.SpaceGroup_Find(*args) SpaceGroup_Find = _openbabel.SpaceGroup_Find def OBReleaseVersion(): return _openbabel.OBReleaseVersion() OBReleaseVersion = _openbabel.OBReleaseVersion 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 GridData = _openbabel.GridData VectorData = _openbabel.VectorData MatrixData = _openbabel.MatrixData StereoData = _openbabel.StereoData DOSData = _openbabel.DOSData ElectronicTransitionData = _openbabel.ElectronicTransitionData 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 fileformatInput = _openbabel.fileformatInput userInput = _openbabel.userInput perceived = _openbabel.perceived external = _openbabel.external local = _openbabel.local 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)) __swig_destroy__ = _openbabel.delete_OBGenericData OBGenericData.Clone = new_instancemethod(_openbabel.OBGenericData_Clone,None,OBGenericData) OBGenericData.SetAttribute = new_instancemethod(_openbabel.OBGenericData_SetAttribute,None,OBGenericData) OBGenericData.SetOrigin = new_instancemethod(_openbabel.OBGenericData_SetOrigin,None,OBGenericData) OBGenericData.GetAttribute = new_instancemethod(_openbabel.OBGenericData_GetAttribute,None,OBGenericData) OBGenericData.GetDataType = new_instancemethod(_openbabel.OBGenericData_GetDataType,None,OBGenericData) OBGenericData.GetValue = new_instancemethod(_openbabel.OBGenericData_GetValue,None,OBGenericData) OBGenericData.GetOrigin = new_instancemethod(_openbabel.OBGenericData_GetOrigin,None,OBGenericData) OBGenericData_swigregister = _openbabel.OBGenericData_swigregister OBGenericData_swigregister(OBGenericData) 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 ClassDescription = staticmethod(_openbabel.OBBase_ClassDescription) def __init__(self): _openbabel.OBBase_swiginit(self,_openbabel.new_OBBase()) OBBase.Clear = new_instancemethod(_openbabel.OBBase_Clear,None,OBBase) OBBase.DoTransformations = new_instancemethod(_openbabel.OBBase_DoTransformations,None,OBBase) OBBase.GetTitle = new_instancemethod(_openbabel.OBBase_GetTitle,None,OBBase) OBBase.SetTitle = new_instancemethod(_openbabel.OBBase_SetTitle,None,OBBase) OBBase.HasData = new_instancemethod(_openbabel.OBBase_HasData,None,OBBase) OBBase.DeleteData = new_instancemethod(_openbabel.OBBase_DeleteData,None,OBBase) OBBase.CloneData = new_instancemethod(_openbabel.OBBase_CloneData,None,OBBase) OBBase.DataSize = new_instancemethod(_openbabel.OBBase_DataSize,None,OBBase) OBBase.GetAllData = new_instancemethod(_openbabel.OBBase_GetAllData,None,OBBase) OBBase.GetData = new_instancemethod(_openbabel.OBBase_GetData,None,OBBase) OBBase.BeginData = new_instancemethod(_openbabel.OBBase_BeginData,None,OBBase) OBBase.EndData = new_instancemethod(_openbabel.OBBase_EndData,None,OBBase) OBBase_swigregister = _openbabel.OBBase_swigregister OBBase_swigregister(OBBase) def OBBase_ClassDescription(): return _openbabel.OBBase_ClassDescription() OBBase_ClassDescription = _openbabel.OBBase_ClassDescription 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)) __swig_destroy__ = _openbabel.delete_OBCommentData OBCommentData.SetData = new_instancemethod(_openbabel.OBCommentData_SetData,None,OBCommentData) OBCommentData.GetData = new_instancemethod(_openbabel.OBCommentData_GetData,None,OBCommentData) 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 OBExternalBond.GetIdx = new_instancemethod(_openbabel.OBExternalBond_GetIdx,None,OBExternalBond) OBExternalBond.GetAtom = new_instancemethod(_openbabel.OBExternalBond_GetAtom,None,OBExternalBond) OBExternalBond.GetBond = new_instancemethod(_openbabel.OBExternalBond_GetBond,None,OBExternalBond) OBExternalBond.SetIdx = new_instancemethod(_openbabel.OBExternalBond_SetIdx,None,OBExternalBond) OBExternalBond.SetAtom = new_instancemethod(_openbabel.OBExternalBond_SetAtom,None,OBExternalBond) OBExternalBond.SetBond = new_instancemethod(_openbabel.OBExternalBond_SetBond,None,OBExternalBond) 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): _openbabel.OBExternalBondData_swiginit(self,_openbabel.new_OBExternalBondData()) __swig_destroy__ = _openbabel.delete_OBExternalBondData OBExternalBondData.SetData = new_instancemethod(_openbabel.OBExternalBondData_SetData,None,OBExternalBondData) OBExternalBondData.GetData = new_instancemethod(_openbabel.OBExternalBondData_GetData,None,OBExternalBondData) 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): _openbabel.OBPairData_swiginit(self,_openbabel.new_OBPairData()) __swig_destroy__ = _openbabel.delete_OBPairData OBPairData.SetValue = new_instancemethod(_openbabel.OBPairData_SetValue,None,OBPairData) 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): _openbabel.OBSetData_swiginit(self,_openbabel.new_OBSetData()) __swig_destroy__ = _openbabel.delete_OBSetData OBSetData.AddData = new_instancemethod(_openbabel.OBSetData_AddData,None,OBSetData) OBSetData.SetData = new_instancemethod(_openbabel.OBSetData_SetData,None,OBSetData) OBSetData.GetData = new_instancemethod(_openbabel.OBSetData_GetData,None,OBSetData) OBSetData.GetBegin = new_instancemethod(_openbabel.OBSetData_GetBegin,None,OBSetData) OBSetData.GetEnd = new_instancemethod(_openbabel.OBSetData_GetEnd,None,OBSetData) OBSetData.DeleteData = new_instancemethod(_openbabel.OBSetData_DeleteData,None,OBSetData) 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 __init__(self, *args): _openbabel.OBVirtualBond_swiginit(self,_openbabel.new_OBVirtualBond(*args)) __swig_destroy__ = _openbabel.delete_OBVirtualBond OBVirtualBond.GetBgn = new_instancemethod(_openbabel.OBVirtualBond_GetBgn,None,OBVirtualBond) OBVirtualBond.GetEnd = new_instancemethod(_openbabel.OBVirtualBond_GetEnd,None,OBVirtualBond) OBVirtualBond.GetOrder = new_instancemethod(_openbabel.OBVirtualBond_GetOrder,None,OBVirtualBond) OBVirtualBond.GetStereo = new_instancemethod(_openbabel.OBVirtualBond_GetStereo,None,OBVirtualBond) 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)) __swig_destroy__ = _openbabel.delete_OBRingData OBRingData.SetData = new_instancemethod(_openbabel.OBRingData_SetData,None,OBRingData) OBRingData.PushBack = new_instancemethod(_openbabel.OBRingData_PushBack,None,OBRingData) OBRingData.GetData = new_instancemethod(_openbabel.OBRingData_GetData,None,OBRingData) OBRingData.BeginRings = new_instancemethod(_openbabel.OBRingData_BeginRings,None,OBRingData) OBRingData.EndRings = new_instancemethod(_openbabel.OBRingData_EndRings,None,OBRingData) OBRingData.BeginRing = new_instancemethod(_openbabel.OBRingData_BeginRing,None,OBRingData) OBRingData.NextRing = new_instancemethod(_openbabel.OBRingData_NextRing,None,OBRingData) 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)) __swig_destroy__ = _openbabel.delete_OBUnitCell OBUnitCell.SetData = new_instancemethod(_openbabel.OBUnitCell_SetData,None,OBUnitCell) OBUnitCell.SetOffset = new_instancemethod(_openbabel.OBUnitCell_SetOffset,None,OBUnitCell) OBUnitCell.SetSpaceGroup = new_instancemethod(_openbabel.OBUnitCell_SetSpaceGroup,None,OBUnitCell) OBUnitCell.SetLatticeType = new_instancemethod(_openbabel.OBUnitCell_SetLatticeType,None,OBUnitCell) OBUnitCell.FillUnitCell = new_instancemethod(_openbabel.OBUnitCell_FillUnitCell,None,OBUnitCell) OBUnitCell.GetA = new_instancemethod(_openbabel.OBUnitCell_GetA,None,OBUnitCell) OBUnitCell.GetB = new_instancemethod(_openbabel.OBUnitCell_GetB,None,OBUnitCell) OBUnitCell.GetC = new_instancemethod(_openbabel.OBUnitCell_GetC,None,OBUnitCell) OBUnitCell.GetAlpha = new_instancemethod(_openbabel.OBUnitCell_GetAlpha,None,OBUnitCell) OBUnitCell.GetBeta = new_instancemethod(_openbabel.OBUnitCell_GetBeta,None,OBUnitCell) OBUnitCell.GetGamma = new_instancemethod(_openbabel.OBUnitCell_GetGamma,None,OBUnitCell) OBUnitCell.GetOffset = new_instancemethod(_openbabel.OBUnitCell_GetOffset,None,OBUnitCell) OBUnitCell.GetSpaceGroup = new_instancemethod(_openbabel.OBUnitCell_GetSpaceGroup,None,OBUnitCell) OBUnitCell.GetSpaceGroupName = new_instancemethod(_openbabel.OBUnitCell_GetSpaceGroupName,None,OBUnitCell) OBUnitCell.GetLatticeType = new_instancemethod(_openbabel.OBUnitCell_GetLatticeType,None,OBUnitCell) OBUnitCell.GetCellVectors = new_instancemethod(_openbabel.OBUnitCell_GetCellVectors,None,OBUnitCell) OBUnitCell.GetCellMatrix = new_instancemethod(_openbabel.OBUnitCell_GetCellMatrix,None,OBUnitCell) OBUnitCell.GetOrthoMatrix = new_instancemethod(_openbabel.OBUnitCell_GetOrthoMatrix,None,OBUnitCell) OBUnitCell.GetOrientationMatrix = new_instancemethod(_openbabel.OBUnitCell_GetOrientationMatrix,None,OBUnitCell) OBUnitCell.GetFractionalMatrix = new_instancemethod(_openbabel.OBUnitCell_GetFractionalMatrix,None,OBUnitCell) OBUnitCell.FractionalToCartesian = new_instancemethod(_openbabel.OBUnitCell_FractionalToCartesian,None,OBUnitCell) OBUnitCell.CartesianToFractional = new_instancemethod(_openbabel.OBUnitCell_CartesianToFractional,None,OBUnitCell) OBUnitCell.WrapCartesianCoordinate = new_instancemethod(_openbabel.OBUnitCell_WrapCartesianCoordinate,None,OBUnitCell) OBUnitCell.WrapFractionalCoordinate = new_instancemethod(_openbabel.OBUnitCell_WrapFractionalCoordinate,None,OBUnitCell) OBUnitCell.GetSpaceGroupNumber = new_instancemethod(_openbabel.OBUnitCell_GetSpaceGroupNumber,None,OBUnitCell) OBUnitCell.GetCellVolume = new_instancemethod(_openbabel.OBUnitCell_GetCellVolume,None,OBUnitCell) 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)) __swig_destroy__ = _openbabel.delete_OBConformerData OBConformerData.SetDimension = new_instancemethod(_openbabel.OBConformerData_SetDimension,None,OBConformerData) OBConformerData.SetEnergies = new_instancemethod(_openbabel.OBConformerData_SetEnergies,None,OBConformerData) OBConformerData.SetForces = new_instancemethod(_openbabel.OBConformerData_SetForces,None,OBConformerData) OBConformerData.SetVelocities = new_instancemethod(_openbabel.OBConformerData_SetVelocities,None,OBConformerData) OBConformerData.SetDisplacements = new_instancemethod(_openbabel.OBConformerData_SetDisplacements,None,OBConformerData) OBConformerData.SetData = new_instancemethod(_openbabel.OBConformerData_SetData,None,OBConformerData) OBConformerData.GetDimension = new_instancemethod(_openbabel.OBConformerData_GetDimension,None,OBConformerData) OBConformerData.GetEnergies = new_instancemethod(_openbabel.OBConformerData_GetEnergies,None,OBConformerData) OBConformerData.GetForces = new_instancemethod(_openbabel.OBConformerData_GetForces,None,OBConformerData) OBConformerData.GetVelocities = new_instancemethod(_openbabel.OBConformerData_GetVelocities,None,OBConformerData) OBConformerData.GetDisplacements = new_instancemethod(_openbabel.OBConformerData_GetDisplacements,None,OBConformerData) OBConformerData.GetData = new_instancemethod(_openbabel.OBConformerData_GetData,None,OBConformerData) 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)) __swig_destroy__ = _openbabel.delete_OBSymmetryData OBSymmetryData.SetData = new_instancemethod(_openbabel.OBSymmetryData_SetData,None,OBSymmetryData) OBSymmetryData.SetPointGroup = new_instancemethod(_openbabel.OBSymmetryData_SetPointGroup,None,OBSymmetryData) OBSymmetryData.SetSpaceGroup = new_instancemethod(_openbabel.OBSymmetryData_SetSpaceGroup,None,OBSymmetryData) OBSymmetryData.GetPointGroup = new_instancemethod(_openbabel.OBSymmetryData_GetPointGroup,None,OBSymmetryData) OBSymmetryData.GetSpaceGroup = new_instancemethod(_openbabel.OBSymmetryData_GetSpaceGroup,None,OBSymmetryData) 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 OBTorsion.Clear = new_instancemethod(_openbabel.OBTorsion_Clear,None,OBTorsion) OBTorsion.Empty = new_instancemethod(_openbabel.OBTorsion_Empty,None,OBTorsion) OBTorsion.AddTorsion = new_instancemethod(_openbabel.OBTorsion_AddTorsion,None,OBTorsion) OBTorsion.SetAngle = new_instancemethod(_openbabel.OBTorsion_SetAngle,None,OBTorsion) OBTorsion.SetData = new_instancemethod(_openbabel.OBTorsion_SetData,None,OBTorsion) OBTorsion.GetAngle = new_instancemethod(_openbabel.OBTorsion_GetAngle,None,OBTorsion) OBTorsion.GetBondIdx = new_instancemethod(_openbabel.OBTorsion_GetBondIdx,None,OBTorsion) OBTorsion.GetSize = new_instancemethod(_openbabel.OBTorsion_GetSize,None,OBTorsion) OBTorsion.GetBC = new_instancemethod(_openbabel.OBTorsion_GetBC,None,OBTorsion) OBTorsion.GetADs = new_instancemethod(_openbabel.OBTorsion_GetADs,None,OBTorsion) OBTorsion.IsProtonRotor = new_instancemethod(_openbabel.OBTorsion_IsProtonRotor,None,OBTorsion) 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, *args, **kwargs): raise AttributeError("No constructor defined") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBTorsionData OBTorsionData.Clear = new_instancemethod(_openbabel.OBTorsionData_Clear,None,OBTorsionData) OBTorsionData.GetData = new_instancemethod(_openbabel.OBTorsionData_GetData,None,OBTorsionData) OBTorsionData.GetSize = new_instancemethod(_openbabel.OBTorsionData_GetSize,None,OBTorsionData) OBTorsionData.SetData = new_instancemethod(_openbabel.OBTorsionData_SetData,None,OBTorsionData) OBTorsionData.FillTorsionArray = new_instancemethod(_openbabel.OBTorsionData_FillTorsionArray,None,OBTorsionData) 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 OBAngle.__eq__ = new_instancemethod(_openbabel.OBAngle___eq__,None,OBAngle) OBAngle.Clear = new_instancemethod(_openbabel.OBAngle_Clear,None,OBAngle) OBAngle.GetAngle = new_instancemethod(_openbabel.OBAngle_GetAngle,None,OBAngle) OBAngle.SetAngle = new_instancemethod(_openbabel.OBAngle_SetAngle,None,OBAngle) OBAngle.SetAtoms = new_instancemethod(_openbabel.OBAngle_SetAtoms,None,OBAngle) 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, *args, **kwargs): raise AttributeError("No constructor defined") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBAngleData OBAngleData.Clear = new_instancemethod(_openbabel.OBAngleData_Clear,None,OBAngleData) OBAngleData.FillAngleArray = new_instancemethod(_openbabel.OBAngleData_FillAngleArray,None,OBAngleData) OBAngleData.SetData = new_instancemethod(_openbabel.OBAngleData_SetData,None,OBAngleData) OBAngleData.GetSize = new_instancemethod(_openbabel.OBAngleData_GetSize,None,OBAngleData) 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 __init__(self, *args): _openbabel.OBChiralData_swiginit(self,_openbabel.new_OBChiralData(*args)) __swig_destroy__ = _openbabel.delete_OBChiralData OBChiralData.Clear = new_instancemethod(_openbabel.OBChiralData_Clear,None,OBChiralData) OBChiralData.GetAtom4Refs = new_instancemethod(_openbabel.OBChiralData_GetAtom4Refs,None,OBChiralData) OBChiralData.GetAtomRef = new_instancemethod(_openbabel.OBChiralData_GetAtomRef,None,OBChiralData) OBChiralData.SetAtom4Refs = new_instancemethod(_openbabel.OBChiralData_SetAtom4Refs,None,OBChiralData) OBChiralData.AddAtomRef = new_instancemethod(_openbabel.OBChiralData_AddAtomRef,None,OBChiralData) OBChiralData.GetSize = new_instancemethod(_openbabel.OBChiralData_GetSize,None,OBChiralData) 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)) __swig_destroy__ = _openbabel.delete_OBSerialNums OBSerialNums.GetData = new_instancemethod(_openbabel.OBSerialNums_GetData,None,OBSerialNums) OBSerialNums.SetData = new_instancemethod(_openbabel.OBSerialNums_SetData,None,OBSerialNums) OBSerialNums_swigregister = _openbabel.OBSerialNums_swigregister OBSerialNums_swigregister(OBSerialNums) class OBVibrationData(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): _openbabel.OBVibrationData_swiginit(self,_openbabel.new_OBVibrationData()) __swig_destroy__ = _openbabel.delete_OBVibrationData OBVibrationData.SetData = new_instancemethod(_openbabel.OBVibrationData_SetData,None,OBVibrationData) OBVibrationData.GetLx = new_instancemethod(_openbabel.OBVibrationData_GetLx,None,OBVibrationData) OBVibrationData.GetFrequencies = new_instancemethod(_openbabel.OBVibrationData_GetFrequencies,None,OBVibrationData) OBVibrationData.GetIntensities = new_instancemethod(_openbabel.OBVibrationData_GetIntensities,None,OBVibrationData) OBVibrationData.GetRamanActivities = new_instancemethod(_openbabel.OBVibrationData_GetRamanActivities,None,OBVibrationData) OBVibrationData.GetNumberOfFrequencies = new_instancemethod(_openbabel.OBVibrationData_GetNumberOfFrequencies,None,OBVibrationData) OBVibrationData_swigregister = _openbabel.OBVibrationData_swigregister OBVibrationData_swigregister(OBVibrationData) class OBDOSData(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): _openbabel.OBDOSData_swiginit(self,_openbabel.new_OBDOSData()) __swig_destroy__ = _openbabel.delete_OBDOSData OBDOSData.SetData = new_instancemethod(_openbabel.OBDOSData_SetData,None,OBDOSData) OBDOSData.GetFermiEnergy = new_instancemethod(_openbabel.OBDOSData_GetFermiEnergy,None,OBDOSData) OBDOSData.GetEnergies = new_instancemethod(_openbabel.OBDOSData_GetEnergies,None,OBDOSData) OBDOSData.GetDensities = new_instancemethod(_openbabel.OBDOSData_GetDensities,None,OBDOSData) OBDOSData.GetIntegration = new_instancemethod(_openbabel.OBDOSData_GetIntegration,None,OBDOSData) OBDOSData_swigregister = _openbabel.OBDOSData_swigregister OBDOSData_swigregister(OBDOSData) class OBOrbital(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): _openbabel.OBOrbital_swiginit(self,_openbabel.new_OBOrbital()) __swig_destroy__ = _openbabel.delete_OBOrbital OBOrbital.SetData = new_instancemethod(_openbabel.OBOrbital_SetData,None,OBOrbital) OBOrbital.GetEnergy = new_instancemethod(_openbabel.OBOrbital_GetEnergy,None,OBOrbital) OBOrbital.GetOccupation = new_instancemethod(_openbabel.OBOrbital_GetOccupation,None,OBOrbital) OBOrbital.GetSymbol = new_instancemethod(_openbabel.OBOrbital_GetSymbol,None,OBOrbital) OBOrbital_swigregister = _openbabel.OBOrbital_swigregister OBOrbital_swigregister(OBOrbital) class OBOrbitalData(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): _openbabel.OBOrbitalData_swiginit(self,_openbabel.new_OBOrbitalData()) __swig_destroy__ = _openbabel.delete_OBOrbitalData OBOrbitalData.SetAlphaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_SetAlphaOrbitals,None,OBOrbitalData) OBOrbitalData.SetBetaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_SetBetaOrbitals,None,OBOrbitalData) OBOrbitalData.SetHOMO = new_instancemethod(_openbabel.OBOrbitalData_SetHOMO,None,OBOrbitalData) OBOrbitalData.SetOpenShell = new_instancemethod(_openbabel.OBOrbitalData_SetOpenShell,None,OBOrbitalData) OBOrbitalData.IsOpenShell = new_instancemethod(_openbabel.OBOrbitalData_IsOpenShell,None,OBOrbitalData) OBOrbitalData.GetAlphaHOMO = new_instancemethod(_openbabel.OBOrbitalData_GetAlphaHOMO,None,OBOrbitalData) OBOrbitalData.GetBetaHOMO = new_instancemethod(_openbabel.OBOrbitalData_GetBetaHOMO,None,OBOrbitalData) OBOrbitalData.GetAlphaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_GetAlphaOrbitals,None,OBOrbitalData) OBOrbitalData.GetBetaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_GetBetaOrbitals,None,OBOrbitalData) OBOrbitalData.LoadClosedShellOrbitals = new_instancemethod(_openbabel.OBOrbitalData_LoadClosedShellOrbitals,None,OBOrbitalData) OBOrbitalData.LoadAlphaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_LoadAlphaOrbitals,None,OBOrbitalData) OBOrbitalData.LoadBetaOrbitals = new_instancemethod(_openbabel.OBOrbitalData_LoadBetaOrbitals,None,OBOrbitalData) OBOrbitalData_swigregister = _openbabel.OBOrbitalData_swigregister OBOrbitalData_swigregister(OBOrbitalData) class OBElectronicTransitionData(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): _openbabel.OBElectronicTransitionData_swiginit(self,_openbabel.new_OBElectronicTransitionData()) __swig_destroy__ = _openbabel.delete_OBElectronicTransitionData OBElectronicTransitionData.SetData = new_instancemethod(_openbabel.OBElectronicTransitionData_SetData,None,OBElectronicTransitionData) OBElectronicTransitionData.SetEDipole = new_instancemethod(_openbabel.OBElectronicTransitionData_SetEDipole,None,OBElectronicTransitionData) OBElectronicTransitionData.SetRotatoryStrengthsVelocity = new_instancemethod(_openbabel.OBElectronicTransitionData_SetRotatoryStrengthsVelocity,None,OBElectronicTransitionData) OBElectronicTransitionData.SetRotatoryStrengthsLength = new_instancemethod(_openbabel.OBElectronicTransitionData_SetRotatoryStrengthsLength,None,OBElectronicTransitionData) OBElectronicTransitionData.GetWavelengths = new_instancemethod(_openbabel.OBElectronicTransitionData_GetWavelengths,None,OBElectronicTransitionData) OBElectronicTransitionData.GetForces = new_instancemethod(_openbabel.OBElectronicTransitionData_GetForces,None,OBElectronicTransitionData) OBElectronicTransitionData.GetEDipole = new_instancemethod(_openbabel.OBElectronicTransitionData_GetEDipole,None,OBElectronicTransitionData) OBElectronicTransitionData.GetRotatoryStrengthsVelocity = new_instancemethod(_openbabel.OBElectronicTransitionData_GetRotatoryStrengthsVelocity,None,OBElectronicTransitionData) OBElectronicTransitionData.GetRotatoryStrengthsLength = new_instancemethod(_openbabel.OBElectronicTransitionData_GetRotatoryStrengthsLength,None,OBElectronicTransitionData) OBElectronicTransitionData_swigregister = _openbabel.OBElectronicTransitionData_swigregister OBElectronicTransitionData_swigregister(OBElectronicTransitionData) class OBRotationData(OBGenericData): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr UNKNOWN = _openbabel.OBRotationData_UNKNOWN ASYMMETRIC = _openbabel.OBRotationData_ASYMMETRIC SYMMETRIC = _openbabel.OBRotationData_SYMMETRIC LINEAR = _openbabel.OBRotationData_LINEAR def __init__(self): _openbabel.OBRotationData_swiginit(self,_openbabel.new_OBRotationData()) __swig_destroy__ = _openbabel.delete_OBRotationData OBRotationData.SetData = new_instancemethod(_openbabel.OBRotationData_SetData,None,OBRotationData) OBRotationData.GetRotConsts = new_instancemethod(_openbabel.OBRotationData_GetRotConsts,None,OBRotationData) OBRotationData.GetSymmetryNumber = new_instancemethod(_openbabel.OBRotationData_GetSymmetryNumber,None,OBRotationData) OBRotationData.GetRotorType = new_instancemethod(_openbabel.OBRotationData_GetRotorType,None,OBRotationData) OBRotationData_swigregister = _openbabel.OBRotationData_swigregister OBRotationData_swigregister(OBRotationData) class OBVectorData(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): _openbabel.OBVectorData_swiginit(self,_openbabel.new_OBVectorData()) __swig_destroy__ = _openbabel.delete_OBVectorData OBVectorData.SetData = new_instancemethod(_openbabel.OBVectorData_SetData,None,OBVectorData) OBVectorData.GetData = new_instancemethod(_openbabel.OBVectorData_GetData,None,OBVectorData) OBVectorData_swigregister = _openbabel.OBVectorData_swigregister OBVectorData_swigregister(OBVectorData) class OBMatrixData(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): _openbabel.OBMatrixData_swiginit(self,_openbabel.new_OBMatrixData()) __swig_destroy__ = _openbabel.delete_OBMatrixData OBMatrixData.SetData = new_instancemethod(_openbabel.OBMatrixData_SetData,None,OBMatrixData) OBMatrixData.GetData = new_instancemethod(_openbabel.OBMatrixData_GetData,None,OBMatrixData) OBMatrixData_swigregister = _openbabel.OBMatrixData_swigregister OBMatrixData_swigregister(OBMatrixData) class OBGridData(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): _openbabel.OBGridData_swiginit(self,_openbabel.new_OBGridData()) __swig_destroy__ = _openbabel.delete_OBGridData BOHR = _openbabel.OBGridData_BOHR ANGSTROM = _openbabel.OBGridData_ANGSTROM OTHER = _openbabel.OBGridData_OTHER OBGridData.GetXAxis = new_instancemethod(_openbabel.OBGridData_GetXAxis,None,OBGridData) OBGridData.GetYAxis = new_instancemethod(_openbabel.OBGridData_GetYAxis,None,OBGridData) OBGridData.GetZAxis = new_instancemethod(_openbabel.OBGridData_GetZAxis,None,OBGridData) OBGridData.GetAxes = new_instancemethod(_openbabel.OBGridData_GetAxes,None,OBGridData) OBGridData.GetNumberOfPoints = new_instancemethod(_openbabel.OBGridData_GetNumberOfPoints,None,OBGridData) OBGridData.GetNumberOfSteps = new_instancemethod(_openbabel.OBGridData_GetNumberOfSteps,None,OBGridData) OBGridData.GetValues = new_instancemethod(_openbabel.OBGridData_GetValues,None,OBGridData) OBGridData.GetValue = new_instancemethod(_openbabel.OBGridData_GetValue,None,OBGridData) OBGridData.GetUnit = new_instancemethod(_openbabel.OBGridData_GetUnit,None,OBGridData) OBGridData.GetMinValue = new_instancemethod(_openbabel.OBGridData_GetMinValue,None,OBGridData) OBGridData.GetMaxValue = new_instancemethod(_openbabel.OBGridData_GetMaxValue,None,OBGridData) OBGridData.GetOriginVector = new_instancemethod(_openbabel.OBGridData_GetOriginVector,None,OBGridData) OBGridData.GetMaxVector = new_instancemethod(_openbabel.OBGridData_GetMaxVector,None,OBGridData) OBGridData.GetUnrestricted = new_instancemethod(_openbabel.OBGridData_GetUnrestricted,None,OBGridData) OBGridData.GetNumSymmetries = new_instancemethod(_openbabel.OBGridData_GetNumSymmetries,None,OBGridData) OBGridData.SetNumberOfPoints = new_instancemethod(_openbabel.OBGridData_SetNumberOfPoints,None,OBGridData) OBGridData.SetLimits = new_instancemethod(_openbabel.OBGridData_SetLimits,None,OBGridData) OBGridData.SetValue = new_instancemethod(_openbabel.OBGridData_SetValue,None,OBGridData) OBGridData.SetValues = new_instancemethod(_openbabel.OBGridData_SetValues,None,OBGridData) OBGridData.SetUnit = new_instancemethod(_openbabel.OBGridData_SetUnit,None,OBGridData) OBGridData.SetUnrestricted = new_instancemethod(_openbabel.OBGridData_SetUnrestricted,None,OBGridData) OBGridData.SetNumSymmetries = new_instancemethod(_openbabel.OBGridData_SetNumSymmetries,None,OBGridData) OBGridData_swigregister = _openbabel.OBGridData_swigregister OBGridData_swigregister(OBGridData) MaxMonoAtom = _openbabel.MaxMonoAtom MaxMonoBond = _openbabel.MaxMonoBond class OBChainsParser(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): _openbabel.OBChainsParser_swiginit(self,_openbabel.new_OBChainsParser()) __swig_destroy__ = _openbabel.delete_OBChainsParser OBChainsParser.PerceiveChains = new_instancemethod(_openbabel.OBChainsParser_PerceiveChains,None,OBChainsParser) OBChainsParser_swigregister = _openbabel.OBChainsParser_swigregister OBChainsParser_swigregister(OBChainsParser) class OBAtomTyper(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): _openbabel.OBAtomTyper_swiginit(self,_openbabel.new_OBAtomTyper()) __swig_destroy__ = _openbabel.delete_OBAtomTyper OBAtomTyper.AssignHyb = new_instancemethod(_openbabel.OBAtomTyper_AssignHyb,None,OBAtomTyper) OBAtomTyper.AssignTypes = new_instancemethod(_openbabel.OBAtomTyper_AssignTypes,None,OBAtomTyper) OBAtomTyper.AssignImplicitValence = new_instancemethod(_openbabel.OBAtomTyper_AssignImplicitValence,None,OBAtomTyper) OBAtomTyper.CorrectAromaticNitrogens = new_instancemethod(_openbabel.OBAtomTyper_CorrectAromaticNitrogens,None,OBAtomTyper) OBAtomTyper_swigregister = _openbabel.OBAtomTyper_swigregister OBAtomTyper_swigregister(OBAtomTyper) class OBAromaticTyper(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): _openbabel.OBAromaticTyper_swiginit(self,_openbabel.new_OBAromaticTyper()) __swig_destroy__ = _openbabel.delete_OBAromaticTyper OBAromaticTyper.AssignAromaticFlags = new_instancemethod(_openbabel.OBAromaticTyper_AssignAromaticFlags,None,OBAromaticTyper) OBAromaticTyper.PropagatePotentialAromatic = new_instancemethod(_openbabel.OBAromaticTyper_PropagatePotentialAromatic,None,OBAromaticTyper) OBAromaticTyper.SelectRootAtoms = new_instancemethod(_openbabel.OBAromaticTyper_SelectRootAtoms,None,OBAromaticTyper) OBAromaticTyper.ExcludeSmallRing = new_instancemethod(_openbabel.OBAromaticTyper_ExcludeSmallRing,None,OBAromaticTyper) OBAromaticTyper.CheckAromaticity = new_instancemethod(_openbabel.OBAromaticTyper_CheckAromaticity,None,OBAromaticTyper) OBAromaticTyper.TraverseCycle = new_instancemethod(_openbabel.OBAromaticTyper_TraverseCycle,None,OBAromaticTyper) OBAromaticTyper_swigregister = _openbabel.OBAromaticTyper_swigregister OBAromaticTyper_swigregister(OBAromaticTyper) class OBRingTyper(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): _openbabel.OBRingTyper_swiginit(self,_openbabel.new_OBRingTyper()) __swig_destroy__ = _openbabel.delete_OBRingTyper OBRingTyper.AssignTypes = new_instancemethod(_openbabel.OBRingTyper_AssignTypes,None,OBRingTyper) OBRingTyper_swigregister = _openbabel.OBRingTyper_swigregister OBRingTyper_swigregister(OBRingTyper) class dummy(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): _openbabel.dummy_swiginit(self,_openbabel.new_dummy()) __swig_destroy__ = _openbabel.delete_dummy dummy_swigregister = _openbabel.dummy_swigregister dummy_swigregister(dummy) class CharPtrLess(dummy): 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): _openbabel.CharPtrLess_swiginit(self,_openbabel.new_CharPtrLess()) __swig_destroy__ = _openbabel.delete_CharPtrLess CharPtrLess.__call__ = new_instancemethod(_openbabel.CharPtrLess___call__,None,CharPtrLess) CharPtrLess_swigregister = _openbabel.CharPtrLess_swigregister CharPtrLess_swigregister(CharPtrLess) class OBPlugin(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBPlugin GetPlugin = staticmethod(_openbabel.OBPlugin_GetPlugin) ListAsVector = staticmethod(_openbabel.OBPlugin_ListAsVector) List = staticmethod(_openbabel.OBPlugin_List) ListAsString = staticmethod(_openbabel.OBPlugin_ListAsString) FirstLine = staticmethod(_openbabel.OBPlugin_FirstLine) Begin = staticmethod(_openbabel.OBPlugin_Begin) End = staticmethod(_openbabel.OBPlugin_End) OBPlugin.Description = new_instancemethod(_openbabel.OBPlugin_Description,None,OBPlugin) OBPlugin.TypeID = new_instancemethod(_openbabel.OBPlugin_TypeID,None,OBPlugin) OBPlugin.Display = new_instancemethod(_openbabel.OBPlugin_Display,None,OBPlugin) OBPlugin.MakeInstance = new_instancemethod(_openbabel.OBPlugin_MakeInstance,None,OBPlugin) OBPlugin.Init = new_instancemethod(_openbabel.OBPlugin_Init,None,OBPlugin) OBPlugin.GetID = new_instancemethod(_openbabel.OBPlugin_GetID,None,OBPlugin) OBPlugin.GetMap = new_instancemethod(_openbabel.OBPlugin_GetMap,None,OBPlugin) OBPlugin_swigregister = _openbabel.OBPlugin_swigregister OBPlugin_swigregister(OBPlugin) def OBPlugin_GetPlugin(*args): return _openbabel.OBPlugin_GetPlugin(*args) OBPlugin_GetPlugin = _openbabel.OBPlugin_GetPlugin def OBPlugin_ListAsVector(*args): return _openbabel.OBPlugin_ListAsVector(*args) OBPlugin_ListAsVector = _openbabel.OBPlugin_ListAsVector def OBPlugin_List(*args): return _openbabel.OBPlugin_List(*args) OBPlugin_List = _openbabel.OBPlugin_List def OBPlugin_ListAsString(*args): return _openbabel.OBPlugin_ListAsString(*args) OBPlugin_ListAsString = _openbabel.OBPlugin_ListAsString def OBPlugin_FirstLine(*args): return _openbabel.OBPlugin_FirstLine(*args) OBPlugin_FirstLine = _openbabel.OBPlugin_FirstLine def OBPlugin_Begin(*args): return _openbabel.OBPlugin_Begin(*args) OBPlugin_Begin = _openbabel.OBPlugin_Begin def OBPlugin_End(*args): return _openbabel.OBPlugin_End(*args) OBPlugin_End = _openbabel.OBPlugin_End class stringbuf(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): _openbabel.stringbuf_swiginit(self,_openbabel.new_stringbuf()) __swig_destroy__ = _openbabel.delete_stringbuf stringbuf_swigregister = _openbabel.stringbuf_swigregister stringbuf_swigregister(stringbuf) obError = _openbabel.obError obWarning = _openbabel.obWarning obInfo = _openbabel.obInfo obAuditMsg = _openbabel.obAuditMsg obDebug = _openbabel.obDebug always = _openbabel.always onceOnly = _openbabel.onceOnly 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)) __swig_destroy__ = _openbabel.delete_OBError OBError.message = new_instancemethod(_openbabel.OBError_message,None,OBError) OBError.GetMethod = new_instancemethod(_openbabel.OBError_GetMethod,None,OBError) OBError.GetError = new_instancemethod(_openbabel.OBError_GetError,None,OBError) OBError.GetExplanation = new_instancemethod(_openbabel.OBError_GetExplanation,None,OBError) OBError.GetPossibleCause = new_instancemethod(_openbabel.OBError_GetPossibleCause,None,OBError) OBError.GetSuggestedRemedy = new_instancemethod(_openbabel.OBError_GetSuggestedRemedy,None,OBError) OBError.GetLevel = new_instancemethod(_openbabel.OBError_GetLevel,None,OBError) OBError.__eq__ = new_instancemethod(_openbabel.OBError___eq__,None,OBError) 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): _openbabel.OBMessageHandler_swiginit(self,_openbabel.new_OBMessageHandler()) __swig_destroy__ = _openbabel.delete_OBMessageHandler OBMessageHandler.ThrowError = new_instancemethod(_openbabel.OBMessageHandler_ThrowError,None,OBMessageHandler) OBMessageHandler.GetMessagesOfLevel = new_instancemethod(_openbabel.OBMessageHandler_GetMessagesOfLevel,None,OBMessageHandler) OBMessageHandler.StartLogging = new_instancemethod(_openbabel.OBMessageHandler_StartLogging,None,OBMessageHandler) OBMessageHandler.StopLogging = new_instancemethod(_openbabel.OBMessageHandler_StopLogging,None,OBMessageHandler) OBMessageHandler.SetMaxLogEntries = new_instancemethod(_openbabel.OBMessageHandler_SetMaxLogEntries,None,OBMessageHandler) OBMessageHandler.GetMaxLogEntries = new_instancemethod(_openbabel.OBMessageHandler_GetMaxLogEntries,None,OBMessageHandler) OBMessageHandler.ClearLog = new_instancemethod(_openbabel.OBMessageHandler_ClearLog,None,OBMessageHandler) OBMessageHandler.SetOutputLevel = new_instancemethod(_openbabel.OBMessageHandler_SetOutputLevel,None,OBMessageHandler) OBMessageHandler.GetOutputLevel = new_instancemethod(_openbabel.OBMessageHandler_GetOutputLevel,None,OBMessageHandler) OBMessageHandler.SetOutputStream = new_instancemethod(_openbabel.OBMessageHandler_SetOutputStream,None,OBMessageHandler) OBMessageHandler.GetOutputStream = new_instancemethod(_openbabel.OBMessageHandler_GetOutputStream,None,OBMessageHandler) OBMessageHandler.StartErrorWrap = new_instancemethod(_openbabel.OBMessageHandler_StartErrorWrap,None,OBMessageHandler) OBMessageHandler.StopErrorWrap = new_instancemethod(_openbabel.OBMessageHandler_StopErrorWrap,None,OBMessageHandler) OBMessageHandler.GetErrorMessageCount = new_instancemethod(_openbabel.OBMessageHandler_GetErrorMessageCount,None,OBMessageHandler) OBMessageHandler.GetWarningMessageCount = new_instancemethod(_openbabel.OBMessageHandler_GetWarningMessageCount,None,OBMessageHandler) OBMessageHandler.GetInfoMessageCount = new_instancemethod(_openbabel.OBMessageHandler_GetInfoMessageCount,None,OBMessageHandler) OBMessageHandler.GetAuditMessageCount = new_instancemethod(_openbabel.OBMessageHandler_GetAuditMessageCount,None,OBMessageHandler) OBMessageHandler.GetDebugMessageCount = new_instancemethod(_openbabel.OBMessageHandler_GetDebugMessageCount,None,OBMessageHandler) OBMessageHandler.GetMessageSummary = new_instancemethod(_openbabel.OBMessageHandler_GetMessageSummary,None,OBMessageHandler) OBMessageHandler_swigregister = _openbabel.OBMessageHandler_swigregister OBMessageHandler_swigregister(OBMessageHandler) class obLogBuf(stringbuf): 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 def __init__(self): _openbabel.obLogBuf_swiginit(self,_openbabel.new_obLogBuf()) obLogBuf_swigregister = _openbabel.obLogBuf_swigregister obLogBuf_swigregister(obLogBuf) NOTREADABLE = _openbabel.NOTREADABLE READONEONLY = _openbabel.READONEONLY READBINARY = _openbabel.READBINARY ZEROATOMSOK = _openbabel.ZEROATOMSOK NOTWRITABLE = _openbabel.NOTWRITABLE WRITEONEONLY = _openbabel.WRITEONEONLY WRITEBINARY = _openbabel.WRITEBINARY READXML = _openbabel.READXML DEPICTION2D = _openbabel.DEPICTION2D DEFAULTFORMAT = _openbabel.DEFAULTFORMAT class OBFormat(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr Default = staticmethod(_openbabel.OBFormat_Default) FindType = staticmethod(_openbabel.OBFormat_FindType) FormatFromMIME = staticmethod(_openbabel.OBFormat_FormatFromMIME) __swig_destroy__ = _openbabel.delete_OBFormat OBFormat.ReadMolecule = new_instancemethod(_openbabel.OBFormat_ReadMolecule,None,OBFormat) OBFormat.ReadChemObject = new_instancemethod(_openbabel.OBFormat_ReadChemObject,None,OBFormat) OBFormat.WriteMolecule = new_instancemethod(_openbabel.OBFormat_WriteMolecule,None,OBFormat) OBFormat.WriteChemObject = new_instancemethod(_openbabel.OBFormat_WriteChemObject,None,OBFormat) OBFormat.TargetClassDescription = new_instancemethod(_openbabel.OBFormat_TargetClassDescription,None,OBFormat) OBFormat.GetType = new_instancemethod(_openbabel.OBFormat_GetType,None,OBFormat) OBFormat.SpecificationURL = new_instancemethod(_openbabel.OBFormat_SpecificationURL,None,OBFormat) OBFormat.GetMIMEType = new_instancemethod(_openbabel.OBFormat_GetMIMEType,None,OBFormat) OBFormat.Flags = new_instancemethod(_openbabel.OBFormat_Flags,None,OBFormat) OBFormat.SkipObjects = new_instancemethod(_openbabel.OBFormat_SkipObjects,None,OBFormat) OBFormat.MakeNewInstance = new_instancemethod(_openbabel.OBFormat_MakeNewInstance,None,OBFormat) OBFormat.RegisterFormat = new_instancemethod(_openbabel.OBFormat_RegisterFormat,None,OBFormat) OBFormat.Display = new_instancemethod(_openbabel.OBFormat_Display,None,OBFormat) OBFormat_swigregister = _openbabel.OBFormat_swigregister OBFormat_swigregister(OBFormat) def OBFormat_Default(): return _openbabel.OBFormat_Default() OBFormat_Default = _openbabel.OBFormat_Default def OBFormat_FindType(*args): return _openbabel.OBFormat_FindType(*args) OBFormat_FindType = _openbabel.OBFormat_FindType def OBFormat_FormatFromMIME(*args): return _openbabel.OBFormat_FormatFromMIME(*args) OBFormat_FormatFromMIME = _openbabel.OBFormat_FormatFromMIME 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 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) INOPTIONS = _openbabel.OBConversion_INOPTIONS OUTOPTIONS = _openbabel.OBConversion_OUTOPTIONS GENOPTIONS = _openbabel.OBConversion_GENOPTIONS ALL = _openbabel.OBConversion_ALL RegisterOptionParam = staticmethod(_openbabel.OBConversion_RegisterOptionParam) GetOptionParams = staticmethod(_openbabel.OBConversion_GetOptionParams) GetDefaultFormat = staticmethod(_openbabel.OBConversion_GetDefaultFormat) OBConversion.GetInStream = new_instancemethod(_openbabel.OBConversion_GetInStream,None,OBConversion) OBConversion.GetOutStream = new_instancemethod(_openbabel.OBConversion_GetOutStream,None,OBConversion) OBConversion.SetInStream = new_instancemethod(_openbabel.OBConversion_SetInStream,None,OBConversion) OBConversion.SetOutStream = new_instancemethod(_openbabel.OBConversion_SetOutStream,None,OBConversion) OBConversion.SetInAndOutFormats = new_instancemethod(_openbabel.OBConversion_SetInAndOutFormats,None,OBConversion) OBConversion.SetInFormat = new_instancemethod(_openbabel.OBConversion_SetInFormat,None,OBConversion) OBConversion.SetOutFormat = new_instancemethod(_openbabel.OBConversion_SetOutFormat,None,OBConversion) OBConversion.GetInFormat = new_instancemethod(_openbabel.OBConversion_GetInFormat,None,OBConversion) OBConversion.GetOutFormat = new_instancemethod(_openbabel.OBConversion_GetOutFormat,None,OBConversion) OBConversion.GetInFilename = new_instancemethod(_openbabel.OBConversion_GetInFilename,None,OBConversion) OBConversion.GetInPos = new_instancemethod(_openbabel.OBConversion_GetInPos,None,OBConversion) OBConversion.GetInLen = new_instancemethod(_openbabel.OBConversion_GetInLen,None,OBConversion) OBConversion.GetTitle = new_instancemethod(_openbabel.OBConversion_GetTitle,None,OBConversion) OBConversion.GetAuxConv = new_instancemethod(_openbabel.OBConversion_GetAuxConv,None,OBConversion) OBConversion.SetAuxConv = new_instancemethod(_openbabel.OBConversion_SetAuxConv,None,OBConversion) OBConversion.IsOption = new_instancemethod(_openbabel.OBConversion_IsOption,None,OBConversion) OBConversion.GetOptions = new_instancemethod(_openbabel.OBConversion_GetOptions,None,OBConversion) OBConversion.AddOption = new_instancemethod(_openbabel.OBConversion_AddOption,None,OBConversion) OBConversion.RemoveOption = new_instancemethod(_openbabel.OBConversion_RemoveOption,None,OBConversion) OBConversion.SetOptions = new_instancemethod(_openbabel.OBConversion_SetOptions,None,OBConversion) OBConversion.CopyOptions = new_instancemethod(_openbabel.OBConversion_CopyOptions,None,OBConversion) OBConversion.GetSupportedInputFormat = new_instancemethod(_openbabel.OBConversion_GetSupportedInputFormat,None,OBConversion) OBConversion.GetSupportedOutputFormat = new_instancemethod(_openbabel.OBConversion_GetSupportedOutputFormat,None,OBConversion) OBConversion.Convert = new_instancemethod(_openbabel.OBConversion_Convert,None,OBConversion) OBConversion.FullConvert = new_instancemethod(_openbabel.OBConversion_FullConvert,None,OBConversion) OBConversion.AddChemObject = new_instancemethod(_openbabel.OBConversion_AddChemObject,None,OBConversion) OBConversion.GetChemObject = new_instancemethod(_openbabel.OBConversion_GetChemObject,None,OBConversion) OBConversion.IsLast = new_instancemethod(_openbabel.OBConversion_IsLast,None,OBConversion) OBConversion.IsFirstInput = new_instancemethod(_openbabel.OBConversion_IsFirstInput,None,OBConversion) OBConversion.SetFirstInput = new_instancemethod(_openbabel.OBConversion_SetFirstInput,None,OBConversion) OBConversion.GetOutputIndex = new_instancemethod(_openbabel.OBConversion_GetOutputIndex,None,OBConversion) OBConversion.SetOutputIndex = new_instancemethod(_openbabel.OBConversion_SetOutputIndex,None,OBConversion) OBConversion.SetMoreFilesToCome = new_instancemethod(_openbabel.OBConversion_SetMoreFilesToCome,None,OBConversion) OBConversion.SetOneObjectOnly = new_instancemethod(_openbabel.OBConversion_SetOneObjectOnly,None,OBConversion) OBConversion.SetLast = new_instancemethod(_openbabel.OBConversion_SetLast,None,OBConversion) OBConversion.IsLastFile = new_instancemethod(_openbabel.OBConversion_IsLastFile,None,OBConversion) OBConversion.GetCount = new_instancemethod(_openbabel.OBConversion_GetCount,None,OBConversion) OBConversion.Write = new_instancemethod(_openbabel.OBConversion_Write,None,OBConversion) OBConversion.WriteString = new_instancemethod(_openbabel.OBConversion_WriteString,None,OBConversion) OBConversion.WriteFile = new_instancemethod(_openbabel.OBConversion_WriteFile,None,OBConversion) OBConversion.CloseOutFile = new_instancemethod(_openbabel.OBConversion_CloseOutFile,None,OBConversion) OBConversion.Read = new_instancemethod(_openbabel.OBConversion_Read,None,OBConversion) OBConversion.ReadString = new_instancemethod(_openbabel.OBConversion_ReadString,None,OBConversion) OBConversion.ReadFile = new_instancemethod(_openbabel.OBConversion_ReadFile,None,OBConversion) OBConversion.OpenInAndOutFiles = new_instancemethod(_openbabel.OBConversion_OpenInAndOutFiles,None,OBConversion) OBConversion.ReportNumberConverted = new_instancemethod(_openbabel.OBConversion_ReportNumberConverted,None,OBConversion) OBConversion.NumInputObjects = new_instancemethod(_openbabel.OBConversion_NumInputObjects,None,OBConversion) OBConversion_swigregister = _openbabel.OBConversion_swigregister OBConversion_swigregister(OBConversion) def OBConversion_RegisterFormat(*args): return _openbabel.OBConversion_RegisterFormat(*args) OBConversion_RegisterFormat = _openbabel.OBConversion_RegisterFormat def OBConversion_FindFormat(*args): return _openbabel.OBConversion_FindFormat(*args) OBConversion_FindFormat = _openbabel.OBConversion_FindFormat def OBConversion_FormatFromExt(*args): return _openbabel.OBConversion_FormatFromExt(*args) OBConversion_FormatFromExt = _openbabel.OBConversion_FormatFromExt def OBConversion_FormatFromMIME(*args): return _openbabel.OBConversion_FormatFromMIME(*args) OBConversion_FormatFromMIME = _openbabel.OBConversion_FormatFromMIME def OBConversion_GetNextFormat(*args): return _openbabel.OBConversion_GetNextFormat(*args) OBConversion_GetNextFormat = _openbabel.OBConversion_GetNextFormat def OBConversion_Description(): return _openbabel.OBConversion_Description() OBConversion_Description = _openbabel.OBConversion_Description def OBConversion_RegisterOptionParam(*args): return _openbabel.OBConversion_RegisterOptionParam(*args) OBConversion_RegisterOptionParam = _openbabel.OBConversion_RegisterOptionParam def OBConversion_GetOptionParams(*args): return _openbabel.OBConversion_GetOptionParams(*args) OBConversion_GetOptionParams = _openbabel.OBConversion_GetOptionParams def OBConversion_GetDefaultFormat(): return _openbabel.OBConversion_GetDefaultFormat() OBConversion_GetDefaultFormat = _openbabel.OBConversion_GetDefaultFormat 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 OBResidue.AddAtom = new_instancemethod(_openbabel.OBResidue_AddAtom,None,OBResidue) OBResidue.InsertAtom = new_instancemethod(_openbabel.OBResidue_InsertAtom,None,OBResidue) OBResidue.RemoveAtom = new_instancemethod(_openbabel.OBResidue_RemoveAtom,None,OBResidue) OBResidue.SetName = new_instancemethod(_openbabel.OBResidue_SetName,None,OBResidue) OBResidue.SetNum = new_instancemethod(_openbabel.OBResidue_SetNum,None,OBResidue) OBResidue.SetChain = new_instancemethod(_openbabel.OBResidue_SetChain,None,OBResidue) OBResidue.SetChainNum = new_instancemethod(_openbabel.OBResidue_SetChainNum,None,OBResidue) OBResidue.SetIdx = new_instancemethod(_openbabel.OBResidue_SetIdx,None,OBResidue) OBResidue.SetAtomID = new_instancemethod(_openbabel.OBResidue_SetAtomID,None,OBResidue) OBResidue.SetHetAtom = new_instancemethod(_openbabel.OBResidue_SetHetAtom,None,OBResidue) OBResidue.SetSerialNum = new_instancemethod(_openbabel.OBResidue_SetSerialNum,None,OBResidue) OBResidue.GetName = new_instancemethod(_openbabel.OBResidue_GetName,None,OBResidue) OBResidue.GetNum = new_instancemethod(_openbabel.OBResidue_GetNum,None,OBResidue) OBResidue.GetNumString = new_instancemethod(_openbabel.OBResidue_GetNumString,None,OBResidue) OBResidue.GetNumAtoms = new_instancemethod(_openbabel.OBResidue_GetNumAtoms,None,OBResidue) OBResidue.GetChain = new_instancemethod(_openbabel.OBResidue_GetChain,None,OBResidue) OBResidue.GetChainNum = new_instancemethod(_openbabel.OBResidue_GetChainNum,None,OBResidue) OBResidue.GetIdx = new_instancemethod(_openbabel.OBResidue_GetIdx,None,OBResidue) OBResidue.GetResKey = new_instancemethod(_openbabel.OBResidue_GetResKey,None,OBResidue) OBResidue.GetAtoms = new_instancemethod(_openbabel.OBResidue_GetAtoms,None,OBResidue) OBResidue.GetBonds = new_instancemethod(_openbabel.OBResidue_GetBonds,None,OBResidue) OBResidue.GetAtomID = new_instancemethod(_openbabel.OBResidue_GetAtomID,None,OBResidue) OBResidue.GetSerialNum = new_instancemethod(_openbabel.OBResidue_GetSerialNum,None,OBResidue) OBResidue.GetAminoAcidProperty = new_instancemethod(_openbabel.OBResidue_GetAminoAcidProperty,None,OBResidue) OBResidue.GetAtomProperty = new_instancemethod(_openbabel.OBResidue_GetAtomProperty,None,OBResidue) OBResidue.GetResidueProperty = new_instancemethod(_openbabel.OBResidue_GetResidueProperty,None,OBResidue) OBResidue.IsHetAtom = new_instancemethod(_openbabel.OBResidue_IsHetAtom,None,OBResidue) OBResidue.IsResidueType = new_instancemethod(_openbabel.OBResidue_IsResidueType,None,OBResidue) OBResidue.BeginAtoms = new_instancemethod(_openbabel.OBResidue_BeginAtoms,None,OBResidue) OBResidue.EndAtoms = new_instancemethod(_openbabel.OBResidue_EndAtoms,None,OBResidue) OBResidue.BeginAtom = new_instancemethod(_openbabel.OBResidue_BeginAtom,None,OBResidue) OBResidue.NextAtom = new_instancemethod(_openbabel.OBResidue_NextAtom,None,OBResidue) 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, a=None, b=None, c=None, dst=0.0, ang=0.0, tor=0.0): _openbabel.OBInternalCoord_swiginit(self,_openbabel.new_OBInternalCoord(a, b, c, dst, ang, tor)) __swig_destroy__ = _openbabel.delete_OBInternalCoord 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 OB_ATOM_NOT_H_DEFICIENT = _openbabel.OB_ATOM_NOT_H_DEFICIENT OBATOM_TYPE_LEN = _openbabel.OBATOM_TYPE_LEN 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): _openbabel.OBAtom_swiginit(self,_openbabel.new_OBAtom()) __swig_destroy__ = _openbabel.delete_OBAtom OBAtom.__eq__ = new_instancemethod(_openbabel.OBAtom___eq__,None,OBAtom) OBAtom.Duplicate = new_instancemethod(_openbabel.OBAtom_Duplicate,None,OBAtom) OBAtom.SetIdx = new_instancemethod(_openbabel.OBAtom_SetIdx,None,OBAtom) OBAtom.SetId = new_instancemethod(_openbabel.OBAtom_SetId,None,OBAtom) OBAtom.SetHyb = new_instancemethod(_openbabel.OBAtom_SetHyb,None,OBAtom) OBAtom.SetAtomicNum = new_instancemethod(_openbabel.OBAtom_SetAtomicNum,None,OBAtom) OBAtom.SetIsotope = new_instancemethod(_openbabel.OBAtom_SetIsotope,None,OBAtom) OBAtom.SetImplicitValence = new_instancemethod(_openbabel.OBAtom_SetImplicitValence,None,OBAtom) OBAtom.IncrementImplicitValence = new_instancemethod(_openbabel.OBAtom_IncrementImplicitValence,None,OBAtom) OBAtom.DecrementImplicitValence = new_instancemethod(_openbabel.OBAtom_DecrementImplicitValence,None,OBAtom) OBAtom.SetFormalCharge = new_instancemethod(_openbabel.OBAtom_SetFormalCharge,None,OBAtom) OBAtom.SetSpinMultiplicity = new_instancemethod(_openbabel.OBAtom_SetSpinMultiplicity,None,OBAtom) OBAtom.SetType = new_instancemethod(_openbabel.OBAtom_SetType,None,OBAtom) OBAtom.SetPartialCharge = new_instancemethod(_openbabel.OBAtom_SetPartialCharge,None,OBAtom) OBAtom.SetCoordPtr = new_instancemethod(_openbabel.OBAtom_SetCoordPtr,None,OBAtom) OBAtom.SetVector = new_instancemethod(_openbabel.OBAtom_SetVector,None,OBAtom) OBAtom.SetResidue = new_instancemethod(_openbabel.OBAtom_SetResidue,None,OBAtom) OBAtom.SetParent = new_instancemethod(_openbabel.OBAtom_SetParent,None,OBAtom) OBAtom.SetAromatic = new_instancemethod(_openbabel.OBAtom_SetAromatic,None,OBAtom) OBAtom.UnsetAromatic = new_instancemethod(_openbabel.OBAtom_UnsetAromatic,None,OBAtom) OBAtom.SetClockwiseStereo = new_instancemethod(_openbabel.OBAtom_SetClockwiseStereo,None,OBAtom) OBAtom.SetAntiClockwiseStereo = new_instancemethod(_openbabel.OBAtom_SetAntiClockwiseStereo,None,OBAtom) OBAtom.SetPositiveStereo = new_instancemethod(_openbabel.OBAtom_SetPositiveStereo,None,OBAtom) OBAtom.SetNegativeStereo = new_instancemethod(_openbabel.OBAtom_SetNegativeStereo,None,OBAtom) OBAtom.UnsetStereo = new_instancemethod(_openbabel.OBAtom_UnsetStereo,None,OBAtom) OBAtom.SetInRing = new_instancemethod(_openbabel.OBAtom_SetInRing,None,OBAtom) OBAtom.SetChiral = new_instancemethod(_openbabel.OBAtom_SetChiral,None,OBAtom) OBAtom.ClearCoordPtr = new_instancemethod(_openbabel.OBAtom_ClearCoordPtr,None,OBAtom) OBAtom.GetFormalCharge = new_instancemethod(_openbabel.OBAtom_GetFormalCharge,None,OBAtom) OBAtom.GetAtomicNum = new_instancemethod(_openbabel.OBAtom_GetAtomicNum,None,OBAtom) OBAtom.GetIsotope = new_instancemethod(_openbabel.OBAtom_GetIsotope,None,OBAtom) OBAtom.GetSpinMultiplicity = new_instancemethod(_openbabel.OBAtom_GetSpinMultiplicity,None,OBAtom) OBAtom.GetAtomicMass = new_instancemethod(_openbabel.OBAtom_GetAtomicMass,None,OBAtom) OBAtom.GetExactMass = new_instancemethod(_openbabel.OBAtom_GetExactMass,None,OBAtom) OBAtom.GetIdx = new_instancemethod(_openbabel.OBAtom_GetIdx,None,OBAtom) OBAtom.GetIndex = new_instancemethod(_openbabel.OBAtom_GetIndex,None,OBAtom) OBAtom.GetId = new_instancemethod(_openbabel.OBAtom_GetId,None,OBAtom) OBAtom.GetCoordinateIdx = new_instancemethod(_openbabel.OBAtom_GetCoordinateIdx,None,OBAtom) OBAtom.GetCIdx = new_instancemethod(_openbabel.OBAtom_GetCIdx,None,OBAtom) OBAtom.GetValence = new_instancemethod(_openbabel.OBAtom_GetValence,None,OBAtom) OBAtom.GetHyb = new_instancemethod(_openbabel.OBAtom_GetHyb,None,OBAtom) OBAtom.GetImplicitValence = new_instancemethod(_openbabel.OBAtom_GetImplicitValence,None,OBAtom) OBAtom.GetHvyValence = new_instancemethod(_openbabel.OBAtom_GetHvyValence,None,OBAtom) OBAtom.GetHeteroValence = new_instancemethod(_openbabel.OBAtom_GetHeteroValence,None,OBAtom) OBAtom.GetType = new_instancemethod(_openbabel.OBAtom_GetType,None,OBAtom) OBAtom.GetX = new_instancemethod(_openbabel.OBAtom_GetX,None,OBAtom) OBAtom.GetY = new_instancemethod(_openbabel.OBAtom_GetY,None,OBAtom) OBAtom.GetZ = new_instancemethod(_openbabel.OBAtom_GetZ,None,OBAtom) OBAtom.x = new_instancemethod(_openbabel.OBAtom_x,None,OBAtom) OBAtom.y = new_instancemethod(_openbabel.OBAtom_y,None,OBAtom) OBAtom.z = new_instancemethod(_openbabel.OBAtom_z,None,OBAtom) OBAtom.GetCoordinate = new_instancemethod(_openbabel.OBAtom_GetCoordinate,None,OBAtom) OBAtom.GetVector = new_instancemethod(_openbabel.OBAtom_GetVector,None,OBAtom) OBAtom.GetPartialCharge = new_instancemethod(_openbabel.OBAtom_GetPartialCharge,None,OBAtom) OBAtom.GetResidue = new_instancemethod(_openbabel.OBAtom_GetResidue,None,OBAtom) OBAtom.GetParent = new_instancemethod(_openbabel.OBAtom_GetParent,None,OBAtom) OBAtom.GetNewBondVector = new_instancemethod(_openbabel.OBAtom_GetNewBondVector,None,OBAtom) OBAtom.GetBond = new_instancemethod(_openbabel.OBAtom_GetBond,None,OBAtom) OBAtom.GetNextAtom = new_instancemethod(_openbabel.OBAtom_GetNextAtom,None,OBAtom) OBAtom.BeginBonds = new_instancemethod(_openbabel.OBAtom_BeginBonds,None,OBAtom) OBAtom.EndBonds = new_instancemethod(_openbabel.OBAtom_EndBonds,None,OBAtom) OBAtom.BeginBond = new_instancemethod(_openbabel.OBAtom_BeginBond,None,OBAtom) OBAtom.NextBond = new_instancemethod(_openbabel.OBAtom_NextBond,None,OBAtom) OBAtom.BeginNbrAtom = new_instancemethod(_openbabel.OBAtom_BeginNbrAtom,None,OBAtom) OBAtom.NextNbrAtom = new_instancemethod(_openbabel.OBAtom_NextNbrAtom,None,OBAtom) OBAtom.GetDistance = new_instancemethod(_openbabel.OBAtom_GetDistance,None,OBAtom) OBAtom.GetAngle = new_instancemethod(_openbabel.OBAtom_GetAngle,None,OBAtom) OBAtom.NewResidue = new_instancemethod(_openbabel.OBAtom_NewResidue,None,OBAtom) OBAtom.AddResidue = new_instancemethod(_openbabel.OBAtom_AddResidue,None,OBAtom) OBAtom.DeleteResidue = new_instancemethod(_openbabel.OBAtom_DeleteResidue,None,OBAtom) OBAtom.AddBond = new_instancemethod(_openbabel.OBAtom_AddBond,None,OBAtom) OBAtom.InsertBond = new_instancemethod(_openbabel.OBAtom_InsertBond,None,OBAtom) OBAtom.DeleteBond = new_instancemethod(_openbabel.OBAtom_DeleteBond,None,OBAtom) OBAtom.ClearBond = new_instancemethod(_openbabel.OBAtom_ClearBond,None,OBAtom) OBAtom.HtoMethyl = new_instancemethod(_openbabel.OBAtom_HtoMethyl,None,OBAtom) OBAtom.SetHybAndGeom = new_instancemethod(_openbabel.OBAtom_SetHybAndGeom,None,OBAtom) OBAtom.ForceNoH = new_instancemethod(_openbabel.OBAtom_ForceNoH,None,OBAtom) OBAtom.HasNoHForced = new_instancemethod(_openbabel.OBAtom_HasNoHForced,None,OBAtom) OBAtom.ForceImplH = new_instancemethod(_openbabel.OBAtom_ForceImplH,None,OBAtom) OBAtom.HasImplHForced = new_instancemethod(_openbabel.OBAtom_HasImplHForced,None,OBAtom) OBAtom.CountFreeOxygens = new_instancemethod(_openbabel.OBAtom_CountFreeOxygens,None,OBAtom) OBAtom.ImplicitHydrogenCount = new_instancemethod(_openbabel.OBAtom_ImplicitHydrogenCount,None,OBAtom) OBAtom.ExplicitHydrogenCount = new_instancemethod(_openbabel.OBAtom_ExplicitHydrogenCount,None,OBAtom) OBAtom.MemberOfRingCount = new_instancemethod(_openbabel.OBAtom_MemberOfRingCount,None,OBAtom) OBAtom.MemberOfRingSize = new_instancemethod(_openbabel.OBAtom_MemberOfRingSize,None,OBAtom) OBAtom.CountRingBonds = new_instancemethod(_openbabel.OBAtom_CountRingBonds,None,OBAtom) OBAtom.SmallestBondAngle = new_instancemethod(_openbabel.OBAtom_SmallestBondAngle,None,OBAtom) OBAtom.AverageBondAngle = new_instancemethod(_openbabel.OBAtom_AverageBondAngle,None,OBAtom) OBAtom.BOSum = new_instancemethod(_openbabel.OBAtom_BOSum,None,OBAtom) OBAtom.KBOSum = new_instancemethod(_openbabel.OBAtom_KBOSum,None,OBAtom) OBAtom.HasResidue = new_instancemethod(_openbabel.OBAtom_HasResidue,None,OBAtom) OBAtom.IsHydrogen = new_instancemethod(_openbabel.OBAtom_IsHydrogen,None,OBAtom) OBAtom.IsCarbon = new_instancemethod(_openbabel.OBAtom_IsCarbon,None,OBAtom) OBAtom.IsNitrogen = new_instancemethod(_openbabel.OBAtom_IsNitrogen,None,OBAtom) OBAtom.IsOxygen = new_instancemethod(_openbabel.OBAtom_IsOxygen,None,OBAtom) OBAtom.IsSulfur = new_instancemethod(_openbabel.OBAtom_IsSulfur,None,OBAtom) OBAtom.IsPhosphorus = new_instancemethod(_openbabel.OBAtom_IsPhosphorus,None,OBAtom) OBAtom.IsAromatic = new_instancemethod(_openbabel.OBAtom_IsAromatic,None,OBAtom) OBAtom.IsInRing = new_instancemethod(_openbabel.OBAtom_IsInRing,None,OBAtom) OBAtom.IsInRingSize = new_instancemethod(_openbabel.OBAtom_IsInRingSize,None,OBAtom) OBAtom.IsHeteroatom = new_instancemethod(_openbabel.OBAtom_IsHeteroatom,None,OBAtom) OBAtom.IsNotCorH = new_instancemethod(_openbabel.OBAtom_IsNotCorH,None,OBAtom) OBAtom.IsConnected = new_instancemethod(_openbabel.OBAtom_IsConnected,None,OBAtom) OBAtom.IsOneThree = new_instancemethod(_openbabel.OBAtom_IsOneThree,None,OBAtom) OBAtom.IsOneFour = new_instancemethod(_openbabel.OBAtom_IsOneFour,None,OBAtom) OBAtom.IsCarboxylOxygen = new_instancemethod(_openbabel.OBAtom_IsCarboxylOxygen,None,OBAtom) OBAtom.IsPhosphateOxygen = new_instancemethod(_openbabel.OBAtom_IsPhosphateOxygen,None,OBAtom) OBAtom.IsSulfateOxygen = new_instancemethod(_openbabel.OBAtom_IsSulfateOxygen,None,OBAtom) OBAtom.IsNitroOxygen = new_instancemethod(_openbabel.OBAtom_IsNitroOxygen,None,OBAtom) OBAtom.IsAmideNitrogen = new_instancemethod(_openbabel.OBAtom_IsAmideNitrogen,None,OBAtom) OBAtom.IsPolarHydrogen = new_instancemethod(_openbabel.OBAtom_IsPolarHydrogen,None,OBAtom) OBAtom.IsNonPolarHydrogen = new_instancemethod(_openbabel.OBAtom_IsNonPolarHydrogen,None,OBAtom) OBAtom.IsAromaticNOxide = new_instancemethod(_openbabel.OBAtom_IsAromaticNOxide,None,OBAtom) OBAtom.IsChiral = new_instancemethod(_openbabel.OBAtom_IsChiral,None,OBAtom) OBAtom.IsAxial = new_instancemethod(_openbabel.OBAtom_IsAxial,None,OBAtom) OBAtom.IsClockwise = new_instancemethod(_openbabel.OBAtom_IsClockwise,None,OBAtom) OBAtom.IsAntiClockwise = new_instancemethod(_openbabel.OBAtom_IsAntiClockwise,None,OBAtom) OBAtom.IsPositiveStereo = new_instancemethod(_openbabel.OBAtom_IsPositiveStereo,None,OBAtom) OBAtom.IsNegativeStereo = new_instancemethod(_openbabel.OBAtom_IsNegativeStereo,None,OBAtom) OBAtom.HasChiralitySpecified = new_instancemethod(_openbabel.OBAtom_HasChiralitySpecified,None,OBAtom) OBAtom.HasChiralVolume = new_instancemethod(_openbabel.OBAtom_HasChiralVolume,None,OBAtom) OBAtom.IsHbondAcceptor = new_instancemethod(_openbabel.OBAtom_IsHbondAcceptor,None,OBAtom) OBAtom.IsHbondDonor = new_instancemethod(_openbabel.OBAtom_IsHbondDonor,None,OBAtom) OBAtom.IsHbondDonorH = new_instancemethod(_openbabel.OBAtom_IsHbondDonorH,None,OBAtom) OBAtom.HasAlphaBetaUnsat = new_instancemethod(_openbabel.OBAtom_HasAlphaBetaUnsat,None,OBAtom) OBAtom.HasBondOfOrder = new_instancemethod(_openbabel.OBAtom_HasBondOfOrder,None,OBAtom) OBAtom.CountBondsOfOrder = new_instancemethod(_openbabel.OBAtom_CountBondsOfOrder,None,OBAtom) OBAtom.HasNonSingleBond = new_instancemethod(_openbabel.OBAtom_HasNonSingleBond,None,OBAtom) OBAtom.HasSingleBond = new_instancemethod(_openbabel.OBAtom_HasSingleBond,None,OBAtom) OBAtom.HasDoubleBond = new_instancemethod(_openbabel.OBAtom_HasDoubleBond,None,OBAtom) OBAtom.HasAromaticBond = new_instancemethod(_openbabel.OBAtom_HasAromaticBond,None,OBAtom) OBAtom.MatchesSMARTS = new_instancemethod(_openbabel.OBAtom_MatchesSMARTS,None,OBAtom) 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 OB_WEDGE_OR_HASH_BOND = _openbabel.OB_WEDGE_OR_HASH_BOND OB_CIS_OR_TRANS_BOND = _openbabel.OB_CIS_OR_TRANS_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 Aromatic = _openbabel.OBBond_Aromatic Ring = _openbabel.OBBond_Ring Closure = _openbabel.OBBond_Closure Wedge = _openbabel.OBBond_Wedge Hash = _openbabel.OBBond_Hash WedgeOrHash = _openbabel.OBBond_WedgeOrHash CisOrTrans = _openbabel.OBBond_CisOrTrans Visit = _swig_property(_openbabel.OBBond_Visit_get, _openbabel.OBBond_Visit_set) def __init__(self): _openbabel.OBBond_swiginit(self,_openbabel.new_OBBond()) __swig_destroy__ = _openbabel.delete_OBBond OBBond.SetIdx = new_instancemethod(_openbabel.OBBond_SetIdx,None,OBBond) OBBond.SetId = new_instancemethod(_openbabel.OBBond_SetId,None,OBBond) OBBond.SetBO = new_instancemethod(_openbabel.OBBond_SetBO,None,OBBond) OBBond.SetBondOrder = new_instancemethod(_openbabel.OBBond_SetBondOrder,None,OBBond) OBBond.SetBegin = new_instancemethod(_openbabel.OBBond_SetBegin,None,OBBond) OBBond.SetEnd = new_instancemethod(_openbabel.OBBond_SetEnd,None,OBBond) OBBond.SetParent = new_instancemethod(_openbabel.OBBond_SetParent,None,OBBond) OBBond.SetLength = new_instancemethod(_openbabel.OBBond_SetLength,None,OBBond) OBBond.Set = new_instancemethod(_openbabel.OBBond_Set,None,OBBond) OBBond.SetKSingle = new_instancemethod(_openbabel.OBBond_SetKSingle,None,OBBond) OBBond.SetKDouble = new_instancemethod(_openbabel.OBBond_SetKDouble,None,OBBond) OBBond.SetKTriple = new_instancemethod(_openbabel.OBBond_SetKTriple,None,OBBond) OBBond.SetAromatic = new_instancemethod(_openbabel.OBBond_SetAromatic,None,OBBond) OBBond.SetWedge = new_instancemethod(_openbabel.OBBond_SetWedge,None,OBBond) OBBond.SetHash = new_instancemethod(_openbabel.OBBond_SetHash,None,OBBond) OBBond.SetWedgeOrHash = new_instancemethod(_openbabel.OBBond_SetWedgeOrHash,None,OBBond) OBBond.SetUp = new_instancemethod(_openbabel.OBBond_SetUp,None,OBBond) OBBond.SetDown = new_instancemethod(_openbabel.OBBond_SetDown,None,OBBond) OBBond.SetInRing = new_instancemethod(_openbabel.OBBond_SetInRing,None,OBBond) OBBond.SetClosure = new_instancemethod(_openbabel.OBBond_SetClosure,None,OBBond) OBBond.UnsetHash = new_instancemethod(_openbabel.OBBond_UnsetHash,None,OBBond) OBBond.UnsetWedge = new_instancemethod(_openbabel.OBBond_UnsetWedge,None,OBBond) OBBond.UnsetUp = new_instancemethod(_openbabel.OBBond_UnsetUp,None,OBBond) OBBond.UnsetDown = new_instancemethod(_openbabel.OBBond_UnsetDown,None,OBBond) OBBond.UnsetAromatic = new_instancemethod(_openbabel.OBBond_UnsetAromatic,None,OBBond) OBBond.UnsetKekule = new_instancemethod(_openbabel.OBBond_UnsetKekule,None,OBBond) OBBond.GetIdx = new_instancemethod(_openbabel.OBBond_GetIdx,None,OBBond) OBBond.GetId = new_instancemethod(_openbabel.OBBond_GetId,None,OBBond) OBBond.GetBO = new_instancemethod(_openbabel.OBBond_GetBO,None,OBBond) OBBond.GetBondOrder = new_instancemethod(_openbabel.OBBond_GetBondOrder,None,OBBond) OBBond.GetFlags = new_instancemethod(_openbabel.OBBond_GetFlags,None,OBBond) OBBond.GetBeginAtomIdx = new_instancemethod(_openbabel.OBBond_GetBeginAtomIdx,None,OBBond) OBBond.GetEndAtomIdx = new_instancemethod(_openbabel.OBBond_GetEndAtomIdx,None,OBBond) OBBond.GetBeginAtom = new_instancemethod(_openbabel.OBBond_GetBeginAtom,None,OBBond) OBBond.GetEndAtom = new_instancemethod(_openbabel.OBBond_GetEndAtom,None,OBBond) OBBond.GetNbrAtom = new_instancemethod(_openbabel.OBBond_GetNbrAtom,None,OBBond) OBBond.GetParent = new_instancemethod(_openbabel.OBBond_GetParent,None,OBBond) OBBond.GetEquibLength = new_instancemethod(_openbabel.OBBond_GetEquibLength,None,OBBond) OBBond.GetLength = new_instancemethod(_openbabel.OBBond_GetLength,None,OBBond) OBBond.GetNbrAtomIdx = new_instancemethod(_openbabel.OBBond_GetNbrAtomIdx,None,OBBond) OBBond.FindSmallestRing = new_instancemethod(_openbabel.OBBond_FindSmallestRing,None,OBBond) OBBond.IsAromatic = new_instancemethod(_openbabel.OBBond_IsAromatic,None,OBBond) OBBond.IsInRing = new_instancemethod(_openbabel.OBBond_IsInRing,None,OBBond) OBBond.IsRotor = new_instancemethod(_openbabel.OBBond_IsRotor,None,OBBond) OBBond.IsAmide = new_instancemethod(_openbabel.OBBond_IsAmide,None,OBBond) OBBond.IsPrimaryAmide = new_instancemethod(_openbabel.OBBond_IsPrimaryAmide,None,OBBond) OBBond.IsSecondaryAmide = new_instancemethod(_openbabel.OBBond_IsSecondaryAmide,None,OBBond) OBBond.IsTertiaryAmide = new_instancemethod(_openbabel.OBBond_IsTertiaryAmide,None,OBBond) OBBond.IsEster = new_instancemethod(_openbabel.OBBond_IsEster,None,OBBond) OBBond.IsCarbonyl = new_instancemethod(_openbabel.OBBond_IsCarbonyl,None,OBBond) OBBond.IsSingle = new_instancemethod(_openbabel.OBBond_IsSingle,None,OBBond) OBBond.IsDouble = new_instancemethod(_openbabel.OBBond_IsDouble,None,OBBond) OBBond.IsTriple = new_instancemethod(_openbabel.OBBond_IsTriple,None,OBBond) OBBond.IsKSingle = new_instancemethod(_openbabel.OBBond_IsKSingle,None,OBBond) OBBond.IsKDouble = new_instancemethod(_openbabel.OBBond_IsKDouble,None,OBBond) OBBond.IsKTriple = new_instancemethod(_openbabel.OBBond_IsKTriple,None,OBBond) OBBond.IsClosure = new_instancemethod(_openbabel.OBBond_IsClosure,None,OBBond) OBBond.IsUp = new_instancemethod(_openbabel.OBBond_IsUp,None,OBBond) OBBond.IsDown = new_instancemethod(_openbabel.OBBond_IsDown,None,OBBond) OBBond.IsWedge = new_instancemethod(_openbabel.OBBond_IsWedge,None,OBBond) OBBond.IsHash = new_instancemethod(_openbabel.OBBond_IsHash,None,OBBond) OBBond.IsWedgeOrHash = new_instancemethod(_openbabel.OBBond_IsWedgeOrHash,None,OBBond) OBBond.IsCisOrTrans = new_instancemethod(_openbabel.OBBond_IsCisOrTrans,None,OBBond) OBBond.IsDoubleBondGeometry = new_instancemethod(_openbabel.OBBond_IsDoubleBondGeometry,None,OBBond) OBBond_swigregister = _openbabel.OBBond_swigregister OBBond_swigregister(OBBond) class OBReaction(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): _openbabel.OBReaction_swiginit(self,_openbabel.new_OBReaction()) ClassDescription = staticmethod(_openbabel.OBReaction_ClassDescription) __swig_destroy__ = _openbabel.delete_OBReaction OBReaction.NumReactants = new_instancemethod(_openbabel.OBReaction_NumReactants,None,OBReaction) OBReaction.NumProducts = new_instancemethod(_openbabel.OBReaction_NumProducts,None,OBReaction) OBReaction.AddReactant = new_instancemethod(_openbabel.OBReaction_AddReactant,None,OBReaction) OBReaction.AddProduct = new_instancemethod(_openbabel.OBReaction_AddProduct,None,OBReaction) OBReaction.SetTransitionState = new_instancemethod(_openbabel.OBReaction_SetTransitionState,None,OBReaction) OBReaction.AddAgent = new_instancemethod(_openbabel.OBReaction_AddAgent,None,OBReaction) OBReaction.GetReactant = new_instancemethod(_openbabel.OBReaction_GetReactant,None,OBReaction) OBReaction.GetProduct = new_instancemethod(_openbabel.OBReaction_GetProduct,None,OBReaction) OBReaction.GetTransitionState = new_instancemethod(_openbabel.OBReaction_GetTransitionState,None,OBReaction) OBReaction.GetAgent = new_instancemethod(_openbabel.OBReaction_GetAgent,None,OBReaction) OBReaction.GetTitle = new_instancemethod(_openbabel.OBReaction_GetTitle,None,OBReaction) OBReaction.GetComment = new_instancemethod(_openbabel.OBReaction_GetComment,None,OBReaction) OBReaction.SetTitle = new_instancemethod(_openbabel.OBReaction_SetTitle,None,OBReaction) OBReaction.SetComment = new_instancemethod(_openbabel.OBReaction_SetComment,None,OBReaction) OBReaction.IsReversible = new_instancemethod(_openbabel.OBReaction_IsReversible,None,OBReaction) OBReaction.SetReversible = new_instancemethod(_openbabel.OBReaction_SetReversible,None,OBReaction) OBReaction_swigregister = _openbabel.OBReaction_swigregister OBReaction_swigregister(OBReaction) def OBReaction_ClassDescription(): return _openbabel.OBReaction_ClassDescription() OBReaction_ClassDescription = _openbabel.OBReaction_ClassDescription def exceptionIter(*args): raise Exception("""\nThis method can only be used from C++. To iterate from Python use the Iter classes (OBMolAtomIter, etc.) as described at http://openbabel.org/wiki/Python""") 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_RINGTYPES_MOL = _openbabel.OB_RINGTYPES_MOL OB_PATTERN_STRUCTURE = _openbabel.OB_PATTERN_STRUCTURE OB_LSSR_MOL = _openbabel.OB_LSSR_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 ClassDescription = staticmethod(_openbabel.OBMol_ClassDescription) OBMol.__iadd__ = new_instancemethod(_openbabel.OBMol___iadd__,None,OBMol) OBMol.ReserveAtoms = new_instancemethod(_openbabel.OBMol_ReserveAtoms,None,OBMol) OBMol.CreateAtom = new_instancemethod(_openbabel.OBMol_CreateAtom,None,OBMol) OBMol.CreateBond = new_instancemethod(_openbabel.OBMol_CreateBond,None,OBMol) OBMol.CreateResidue = new_instancemethod(_openbabel.OBMol_CreateResidue,None,OBMol) OBMol.DestroyAtom = new_instancemethod(_openbabel.OBMol_DestroyAtom,None,OBMol) OBMol.DestroyBond = new_instancemethod(_openbabel.OBMol_DestroyBond,None,OBMol) OBMol.DestroyResidue = new_instancemethod(_openbabel.OBMol_DestroyResidue,None,OBMol) OBMol.AddAtom = new_instancemethod(_openbabel.OBMol_AddAtom,None,OBMol) OBMol.InsertAtom = new_instancemethod(_openbabel.OBMol_InsertAtom,None,OBMol) OBMol.AddBond = new_instancemethod(_openbabel.OBMol_AddBond,None,OBMol) OBMol.AddResidue = new_instancemethod(_openbabel.OBMol_AddResidue,None,OBMol) OBMol.NewAtom = new_instancemethod(_openbabel.OBMol_NewAtom,None,OBMol) OBMol.NewBond = new_instancemethod(_openbabel.OBMol_NewBond,None,OBMol) OBMol.NewResidue = new_instancemethod(_openbabel.OBMol_NewResidue,None,OBMol) OBMol.DeleteAtom = new_instancemethod(_openbabel.OBMol_DeleteAtom,None,OBMol) OBMol.DeleteBond = new_instancemethod(_openbabel.OBMol_DeleteBond,None,OBMol) OBMol.DeleteResidue = new_instancemethod(_openbabel.OBMol_DeleteResidue,None,OBMol) OBMol.BeginModify = new_instancemethod(_openbabel.OBMol_BeginModify,None,OBMol) OBMol.EndModify = new_instancemethod(_openbabel.OBMol_EndModify,None,OBMol) OBMol.GetMod = new_instancemethod(_openbabel.OBMol_GetMod,None,OBMol) OBMol.IncrementMod = new_instancemethod(_openbabel.OBMol_IncrementMod,None,OBMol) OBMol.DecrementMod = new_instancemethod(_openbabel.OBMol_DecrementMod,None,OBMol) OBMol.GetFlags = new_instancemethod(_openbabel.OBMol_GetFlags,None,OBMol) OBMol.GetTitle = new_instancemethod(_openbabel.OBMol_GetTitle,None,OBMol) OBMol.NumAtoms = new_instancemethod(_openbabel.OBMol_NumAtoms,None,OBMol) OBMol.NumBonds = new_instancemethod(_openbabel.OBMol_NumBonds,None,OBMol) OBMol.NumHvyAtoms = new_instancemethod(_openbabel.OBMol_NumHvyAtoms,None,OBMol) OBMol.NumResidues = new_instancemethod(_openbabel.OBMol_NumResidues,None,OBMol) OBMol.NumRotors = new_instancemethod(_openbabel.OBMol_NumRotors,None,OBMol) OBMol.GetAtom = new_instancemethod(_openbabel.OBMol_GetAtom,None,OBMol) OBMol.GetAtomById = new_instancemethod(_openbabel.OBMol_GetAtomById,None,OBMol) OBMol.GetFirstAtom = new_instancemethod(_openbabel.OBMol_GetFirstAtom,None,OBMol) OBMol.GetBondById = new_instancemethod(_openbabel.OBMol_GetBondById,None,OBMol) OBMol.GetBond = new_instancemethod(_openbabel.OBMol_GetBond,None,OBMol) OBMol.GetResidue = new_instancemethod(_openbabel.OBMol_GetResidue,None,OBMol) OBMol.GetInternalCoord = new_instancemethod(_openbabel.OBMol_GetInternalCoord,None,OBMol) OBMol.GetTorsion = new_instancemethod(_openbabel.OBMol_GetTorsion,None,OBMol) OBMol.GetAngle = new_instancemethod(_openbabel.OBMol_GetAngle,None,OBMol) OBMol.GetFormula = new_instancemethod(_openbabel.OBMol_GetFormula,None,OBMol) OBMol.GetSpacedFormula = new_instancemethod(_openbabel.OBMol_GetSpacedFormula,None,OBMol) OBMol.GetMolWt = new_instancemethod(_openbabel.OBMol_GetMolWt,None,OBMol) OBMol.GetExactMass = new_instancemethod(_openbabel.OBMol_GetExactMass,None,OBMol) OBMol.GetTotalCharge = new_instancemethod(_openbabel.OBMol_GetTotalCharge,None,OBMol) OBMol.GetTotalSpinMultiplicity = new_instancemethod(_openbabel.OBMol_GetTotalSpinMultiplicity,None,OBMol) OBMol.GetDimension = new_instancemethod(_openbabel.OBMol_GetDimension,None,OBMol) OBMol.GetCoordinates = new_instancemethod(_openbabel.OBMol_GetCoordinates,None,OBMol) OBMol.GetSSSR = new_instancemethod(_openbabel.OBMol_GetSSSR,None,OBMol) OBMol.GetLSSR = new_instancemethod(_openbabel.OBMol_GetLSSR,None,OBMol) OBMol.AutomaticFormalCharge = new_instancemethod(_openbabel.OBMol_AutomaticFormalCharge,None,OBMol) OBMol.AutomaticPartialCharge = new_instancemethod(_openbabel.OBMol_AutomaticPartialCharge,None,OBMol) OBMol.SetTitle = new_instancemethod(_openbabel.OBMol_SetTitle,None,OBMol) OBMol.SetFormula = new_instancemethod(_openbabel.OBMol_SetFormula,None,OBMol) OBMol.SetEnergy = new_instancemethod(_openbabel.OBMol_SetEnergy,None,OBMol) OBMol.SetDimension = new_instancemethod(_openbabel.OBMol_SetDimension,None,OBMol) OBMol.SetTotalCharge = new_instancemethod(_openbabel.OBMol_SetTotalCharge,None,OBMol) OBMol.SetTotalSpinMultiplicity = new_instancemethod(_openbabel.OBMol_SetTotalSpinMultiplicity,None,OBMol) OBMol.SetInternalCoord = new_instancemethod(_openbabel.OBMol_SetInternalCoord,None,OBMol) OBMol.SetAutomaticFormalCharge = new_instancemethod(_openbabel.OBMol_SetAutomaticFormalCharge,None,OBMol) OBMol.SetAutomaticPartialCharge = new_instancemethod(_openbabel.OBMol_SetAutomaticPartialCharge,None,OBMol) OBMol.SetAromaticPerceived = new_instancemethod(_openbabel.OBMol_SetAromaticPerceived,None,OBMol) OBMol.SetSSSRPerceived = new_instancemethod(_openbabel.OBMol_SetSSSRPerceived,None,OBMol) OBMol.SetLSSRPerceived = new_instancemethod(_openbabel.OBMol_SetLSSRPerceived,None,OBMol) OBMol.SetRingAtomsAndBondsPerceived = new_instancemethod(_openbabel.OBMol_SetRingAtomsAndBondsPerceived,None,OBMol) OBMol.SetAtomTypesPerceived = new_instancemethod(_openbabel.OBMol_SetAtomTypesPerceived,None,OBMol) OBMol.SetRingTypesPerceived = new_instancemethod(_openbabel.OBMol_SetRingTypesPerceived,None,OBMol) OBMol.SetChainsPerceived = new_instancemethod(_openbabel.OBMol_SetChainsPerceived,None,OBMol) OBMol.SetChiralityPerceived = new_instancemethod(_openbabel.OBMol_SetChiralityPerceived,None,OBMol) OBMol.SetPartialChargesPerceived = new_instancemethod(_openbabel.OBMol_SetPartialChargesPerceived,None,OBMol) OBMol.SetHybridizationPerceived = new_instancemethod(_openbabel.OBMol_SetHybridizationPerceived,None,OBMol) OBMol.SetImplicitValencePerceived = new_instancemethod(_openbabel.OBMol_SetImplicitValencePerceived,None,OBMol) OBMol.SetKekulePerceived = new_instancemethod(_openbabel.OBMol_SetKekulePerceived,None,OBMol) OBMol.SetClosureBondsPerceived = new_instancemethod(_openbabel.OBMol_SetClosureBondsPerceived,None,OBMol) OBMol.SetHydrogensAdded = new_instancemethod(_openbabel.OBMol_SetHydrogensAdded,None,OBMol) OBMol.SetCorrectedForPH = new_instancemethod(_openbabel.OBMol_SetCorrectedForPH,None,OBMol) OBMol.SetAromaticCorrected = new_instancemethod(_openbabel.OBMol_SetAromaticCorrected,None,OBMol) OBMol.SetSpinMultiplicityAssigned = new_instancemethod(_openbabel.OBMol_SetSpinMultiplicityAssigned,None,OBMol) OBMol.SetFlags = new_instancemethod(_openbabel.OBMol_SetFlags,None,OBMol) OBMol.UnsetAromaticPerceived = new_instancemethod(_openbabel.OBMol_UnsetAromaticPerceived,None,OBMol) OBMol.UnsetSSSRPerceived = new_instancemethod(_openbabel.OBMol_UnsetSSSRPerceived,None,OBMol) OBMol.UnsetRingTypesPerceived = new_instancemethod(_openbabel.OBMol_UnsetRingTypesPerceived,None,OBMol) OBMol.UnsetPartialChargesPerceived = new_instancemethod(_openbabel.OBMol_UnsetPartialChargesPerceived,None,OBMol) OBMol.UnsetImplicitValencePerceived = new_instancemethod(_openbabel.OBMol_UnsetImplicitValencePerceived,None,OBMol) OBMol.UnsetHydrogensAdded = new_instancemethod(_openbabel.OBMol_UnsetHydrogensAdded,None,OBMol) OBMol.UnsetFlag = new_instancemethod(_openbabel.OBMol_UnsetFlag,None,OBMol) OBMol.RenumberAtoms = new_instancemethod(_openbabel.OBMol_RenumberAtoms,None,OBMol) OBMol.SetCoordinates = new_instancemethod(_openbabel.OBMol_SetCoordinates,None,OBMol) OBMol.ToInertialFrame = new_instancemethod(_openbabel.OBMol_ToInertialFrame,None,OBMol) OBMol.Translate = new_instancemethod(_openbabel.OBMol_Translate,None,OBMol) OBMol.Rotate = new_instancemethod(_openbabel.OBMol_Rotate,None,OBMol) OBMol.Kekulize = new_instancemethod(_openbabel.OBMol_Kekulize,None,OBMol) OBMol.PerceiveKekuleBonds = new_instancemethod(_openbabel.OBMol_PerceiveKekuleBonds,None,OBMol) OBMol.NewPerceiveKekuleBonds = new_instancemethod(_openbabel.OBMol_NewPerceiveKekuleBonds,None,OBMol) OBMol.DeleteHydrogens = new_instancemethod(_openbabel.OBMol_DeleteHydrogens,None,OBMol) OBMol.DeleteNonPolarHydrogens = new_instancemethod(_openbabel.OBMol_DeleteNonPolarHydrogens,None,OBMol) OBMol.DeleteHydrogen = new_instancemethod(_openbabel.OBMol_DeleteHydrogen,None,OBMol) OBMol.AddHydrogens = new_instancemethod(_openbabel.OBMol_AddHydrogens,None,OBMol) OBMol.AddPolarHydrogens = new_instancemethod(_openbabel.OBMol_AddPolarHydrogens,None,OBMol) OBMol.StripSalts = new_instancemethod(_openbabel.OBMol_StripSalts,None,OBMol) OBMol.Separate = new_instancemethod(_openbabel.OBMol_Separate,None,OBMol) OBMol.GetNextFragment = new_instancemethod(_openbabel.OBMol_GetNextFragment,None,OBMol) OBMol.ConvertDativeBonds = new_instancemethod(_openbabel.OBMol_ConvertDativeBonds,None,OBMol) OBMol.CorrectForPH = new_instancemethod(_openbabel.OBMol_CorrectForPH,None,OBMol) OBMol.AssignSpinMultiplicity = new_instancemethod(_openbabel.OBMol_AssignSpinMultiplicity,None,OBMol) OBMol.SetIsPatternStructure = new_instancemethod(_openbabel.OBMol_SetIsPatternStructure,None,OBMol) OBMol.Center = new_instancemethod(_openbabel.OBMol_Center,None,OBMol) OBMol.FindSSSR = new_instancemethod(_openbabel.OBMol_FindSSSR,None,OBMol) OBMol.FindLSSR = new_instancemethod(_openbabel.OBMol_FindLSSR,None,OBMol) OBMol.FindRingAtomsAndBonds = new_instancemethod(_openbabel.OBMol_FindRingAtomsAndBonds,None,OBMol) OBMol.FindChiralCenters = new_instancemethod(_openbabel.OBMol_FindChiralCenters,None,OBMol) OBMol.FindChildren = new_instancemethod(_openbabel.OBMol_FindChildren,None,OBMol) OBMol.FindLargestFragment = new_instancemethod(_openbabel.OBMol_FindLargestFragment,None,OBMol) OBMol.ContigFragList = new_instancemethod(_openbabel.OBMol_ContigFragList,None,OBMol) OBMol.Align = new_instancemethod(_openbabel.OBMol_Align,None,OBMol) OBMol.ConnectTheDots = new_instancemethod(_openbabel.OBMol_ConnectTheDots,None,OBMol) OBMol.PerceiveBondOrders = new_instancemethod(_openbabel.OBMol_PerceiveBondOrders,None,OBMol) OBMol.FindAngles = new_instancemethod(_openbabel.OBMol_FindAngles,None,OBMol) OBMol.FindTorsions = new_instancemethod(_openbabel.OBMol_FindTorsions,None,OBMol) OBMol.GetGTDVector = new_instancemethod(_openbabel.OBMol_GetGTDVector,None,OBMol) OBMol.GetGIVector = new_instancemethod(_openbabel.OBMol_GetGIVector,None,OBMol) OBMol.GetGIDVector = new_instancemethod(_openbabel.OBMol_GetGIDVector,None,OBMol) OBMol.Has2D = new_instancemethod(_openbabel.OBMol_Has2D,None,OBMol) OBMol.Has3D = new_instancemethod(_openbabel.OBMol_Has3D,None,OBMol) OBMol.HasNonZeroCoords = new_instancemethod(_openbabel.OBMol_HasNonZeroCoords,None,OBMol) OBMol.HasAromaticPerceived = new_instancemethod(_openbabel.OBMol_HasAromaticPerceived,None,OBMol) OBMol.HasSSSRPerceived = new_instancemethod(_openbabel.OBMol_HasSSSRPerceived,None,OBMol) OBMol.HasLSSRPerceived = new_instancemethod(_openbabel.OBMol_HasLSSRPerceived,None,OBMol) OBMol.HasRingAtomsAndBondsPerceived = new_instancemethod(_openbabel.OBMol_HasRingAtomsAndBondsPerceived,None,OBMol) OBMol.HasAtomTypesPerceived = new_instancemethod(_openbabel.OBMol_HasAtomTypesPerceived,None,OBMol) OBMol.HasRingTypesPerceived = new_instancemethod(_openbabel.OBMol_HasRingTypesPerceived,None,OBMol) OBMol.HasChiralityPerceived = new_instancemethod(_openbabel.OBMol_HasChiralityPerceived,None,OBMol) OBMol.HasPartialChargesPerceived = new_instancemethod(_openbabel.OBMol_HasPartialChargesPerceived,None,OBMol) OBMol.HasHybridizationPerceived = new_instancemethod(_openbabel.OBMol_HasHybridizationPerceived,None,OBMol) OBMol.HasImplicitValencePerceived = new_instancemethod(_openbabel.OBMol_HasImplicitValencePerceived,None,OBMol) OBMol.HasKekulePerceived = new_instancemethod(_openbabel.OBMol_HasKekulePerceived,None,OBMol) OBMol.HasClosureBondsPerceived = new_instancemethod(_openbabel.OBMol_HasClosureBondsPerceived,None,OBMol) OBMol.HasChainsPerceived = new_instancemethod(_openbabel.OBMol_HasChainsPerceived,None,OBMol) OBMol.HasHydrogensAdded = new_instancemethod(_openbabel.OBMol_HasHydrogensAdded,None,OBMol) OBMol.HasAromaticCorrected = new_instancemethod(_openbabel.OBMol_HasAromaticCorrected,None,OBMol) OBMol.IsCorrectedForPH = new_instancemethod(_openbabel.OBMol_IsCorrectedForPH,None,OBMol) OBMol.HasSpinMultiplicityAssigned = new_instancemethod(_openbabel.OBMol_HasSpinMultiplicityAssigned,None,OBMol) OBMol.IsChiral = new_instancemethod(_openbabel.OBMol_IsChiral,None,OBMol) OBMol.Empty = new_instancemethod(_openbabel.OBMol_Empty,None,OBMol) OBMol.NumConformers = new_instancemethod(_openbabel.OBMol_NumConformers,None,OBMol) OBMol.SetConformers = new_instancemethod(_openbabel.OBMol_SetConformers,None,OBMol) OBMol.AddConformer = new_instancemethod(_openbabel.OBMol_AddConformer,None,OBMol) OBMol.SetConformer = new_instancemethod(_openbabel.OBMol_SetConformer,None,OBMol) OBMol.CopyConformer = new_instancemethod(_openbabel.OBMol_CopyConformer,None,OBMol) OBMol.DeleteConformer = new_instancemethod(_openbabel.OBMol_DeleteConformer,None,OBMol) OBMol.GetConformer = new_instancemethod(_openbabel.OBMol_GetConformer,None,OBMol) OBMol.SetEnergies = new_instancemethod(_openbabel.OBMol_SetEnergies,None,OBMol) OBMol.GetEnergies = new_instancemethod(_openbabel.OBMol_GetEnergies,None,OBMol) OBMol.GetEnergy = new_instancemethod(_openbabel.OBMol_GetEnergy,None,OBMol) OBMol.BeginConformer = new_instancemethod(_openbabel.OBMol_BeginConformer,None,OBMol) OBMol.NextConformer = new_instancemethod(_openbabel.OBMol_NextConformer,None,OBMol) OBMol.GetConformers = new_instancemethod(_openbabel.OBMol_GetConformers,None,OBMol) OBMol.BeginInternalCoord = new_instancemethod(_openbabel.OBMol_BeginInternalCoord,None,OBMol) OBMol.NextInternalCoord = new_instancemethod(_openbabel.OBMol_NextInternalCoord,None,OBMol) OBMol.SetTorsion = new_instancemethod(_openbabel.OBMol_SetTorsion,None,OBMol) OBMol_swigregister = _openbabel.OBMol_swigregister OBMol_swigregister(OBMol) def OBMol_ClassDescription(): return _openbabel.OBMol_ClassDescription() OBMol_ClassDescription = _openbabel.OBMol_ClassDescription def ThrowError(*args): return _openbabel.ThrowError(*args) ThrowError = _openbabel.ThrowError def CartesianToInternal(*args): return _openbabel.CartesianToInternal(*args) CartesianToInternal = _openbabel.CartesianToInternal def InternalToCartesian(*args): return _openbabel.InternalToCartesian(*args) InternalToCartesian = _openbabel.InternalToCartesian def NewExtension(*args): return _openbabel.NewExtension(*args) NewExtension = _openbabel.NewExtension BUFF_SIZE = _openbabel.BUFF_SIZE def get_rmat(*args): return _openbabel.get_rmat(*args) get_rmat = _openbabel.get_rmat def ob_make_rmat(*args): return _openbabel.ob_make_rmat(*args) ob_make_rmat = _openbabel.ob_make_rmat def qtrfit(*args): return _openbabel.qtrfit(*args) qtrfit = _openbabel.qtrfit def superimpose(*args): return _openbabel.superimpose(*args) superimpose = _openbabel.superimpose OBMol.BeginAtoms = OBMol.EndAtoms = OBMol.BeginAtom = OBMol.EndAtom = exceptionIter OBMol.BeginBonds = OBMol.EndBonds = OBMol.BeginBond = OBMol.EndBond = exceptionIter OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue = exceptionIter 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 ring_id = _swig_property(_openbabel.OBRing_ring_id_get, _openbabel.OBRing_ring_id_set) _path = _swig_property(_openbabel.OBRing__path_get, _openbabel.OBRing__path_set) _pathset = _swig_property(_openbabel.OBRing__pathset_get, _openbabel.OBRing__pathset_set) def __init__(self, *args): _openbabel.OBRing_swiginit(self,_openbabel.new_OBRing(*args)) __swig_destroy__ = _openbabel.delete_OBRing OBRing.Size = new_instancemethod(_openbabel.OBRing_Size,None,OBRing) OBRing.PathSize = new_instancemethod(_openbabel.OBRing_PathSize,None,OBRing) OBRing.IsAromatic = new_instancemethod(_openbabel.OBRing_IsAromatic,None,OBRing) OBRing.SetType = new_instancemethod(_openbabel.OBRing_SetType,None,OBRing) OBRing.GetType = new_instancemethod(_openbabel.OBRing_GetType,None,OBRing) OBRing.GetRootAtom = new_instancemethod(_openbabel.OBRing_GetRootAtom,None,OBRing) OBRing.IsMember = new_instancemethod(_openbabel.OBRing_IsMember,None,OBRing) OBRing.IsInRing = new_instancemethod(_openbabel.OBRing_IsInRing,None,OBRing) OBRing.SetParent = new_instancemethod(_openbabel.OBRing_SetParent,None,OBRing) OBRing.GetParent = new_instancemethod(_openbabel.OBRing_GetParent,None,OBRing) OBRing.findCenterAndNormal = new_instancemethod(_openbabel.OBRing_findCenterAndNormal,None,OBRing) OBRing_swigregister = _openbabel.OBRing_swigregister OBRing_swigregister(OBRing) NoId = cvar.NoId def CompareRingSize(*args): return _openbabel.CompareRingSize(*args) 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): _openbabel.OBRingSearch_swiginit(self,_openbabel.new_OBRingSearch()) __swig_destroy__ = _openbabel.delete_OBRingSearch OBRingSearch.SortRings = new_instancemethod(_openbabel.OBRingSearch_SortRings,None,OBRingSearch) OBRingSearch.RemoveRedundant = new_instancemethod(_openbabel.OBRingSearch_RemoveRedundant,None,OBRingSearch) OBRingSearch.AddRingFromClosure = new_instancemethod(_openbabel.OBRingSearch_AddRingFromClosure,None,OBRingSearch) OBRingSearch.SaveUniqueRing = new_instancemethod(_openbabel.OBRingSearch_SaveUniqueRing,None,OBRingSearch) OBRingSearch.WriteRings = new_instancemethod(_openbabel.OBRingSearch_WriteRings,None,OBRingSearch) OBRingSearch.BeginRings = new_instancemethod(_openbabel.OBRingSearch_BeginRings,None,OBRingSearch) OBRingSearch.EndRings = new_instancemethod(_openbabel.OBRingSearch_EndRings,None,OBRingSearch) OBRingSearch_swigregister = _openbabel.OBRingSearch_swigregister OBRingSearch_swigregister(OBRingSearch) 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 OBRTree.GetAtomIdx = new_instancemethod(_openbabel.OBRTree_GetAtomIdx,None,OBRTree) OBRTree.PathToRoot = new_instancemethod(_openbabel.OBRTree_PathToRoot,None,OBRTree) OBRTree_swigregister = _openbabel.OBRTree_swigregister OBRTree_swigregister(OBRTree) 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 def __init__(self, *args): _openbabel.OBSmartsPattern_swiginit(self,_openbabel.new_OBSmartsPattern(*args)) All = _openbabel.OBSmartsPattern_All Single = _openbabel.OBSmartsPattern_Single AllUnique = _openbabel.OBSmartsPattern_AllUnique OBSmartsPattern.Init = new_instancemethod(_openbabel.OBSmartsPattern_Init,None,OBSmartsPattern) OBSmartsPattern.GetSMARTS = new_instancemethod(_openbabel.OBSmartsPattern_GetSMARTS,None,OBSmartsPattern) OBSmartsPattern.Empty = new_instancemethod(_openbabel.OBSmartsPattern_Empty,None,OBSmartsPattern) OBSmartsPattern.IsValid = new_instancemethod(_openbabel.OBSmartsPattern_IsValid,None,OBSmartsPattern) OBSmartsPattern.NumAtoms = new_instancemethod(_openbabel.OBSmartsPattern_NumAtoms,None,OBSmartsPattern) OBSmartsPattern.NumBonds = new_instancemethod(_openbabel.OBSmartsPattern_NumBonds,None,OBSmartsPattern) OBSmartsPattern.GetBond = new_instancemethod(_openbabel.OBSmartsPattern_GetBond,None,OBSmartsPattern) OBSmartsPattern.GetAtomicNum = new_instancemethod(_openbabel.OBSmartsPattern_GetAtomicNum,None,OBSmartsPattern) OBSmartsPattern.GetCharge = new_instancemethod(_openbabel.OBSmartsPattern_GetCharge,None,OBSmartsPattern) OBSmartsPattern.GetVectorBinding = new_instancemethod(_openbabel.OBSmartsPattern_GetVectorBinding,None,OBSmartsPattern) OBSmartsPattern.Match = new_instancemethod(_openbabel.OBSmartsPattern_Match,None,OBSmartsPattern) OBSmartsPattern.HasMatch = new_instancemethod(_openbabel.OBSmartsPattern_HasMatch,None,OBSmartsPattern) OBSmartsPattern.RestrictedMatch = new_instancemethod(_openbabel.OBSmartsPattern_RestrictedMatch,None,OBSmartsPattern) OBSmartsPattern.NumMatches = new_instancemethod(_openbabel.OBSmartsPattern_NumMatches,None,OBSmartsPattern) OBSmartsPattern.GetMapList = new_instancemethod(_openbabel.OBSmartsPattern_GetMapList,None,OBSmartsPattern) OBSmartsPattern.BeginMList = new_instancemethod(_openbabel.OBSmartsPattern_BeginMList,None,OBSmartsPattern) OBSmartsPattern.EndMList = new_instancemethod(_openbabel.OBSmartsPattern_EndMList,None,OBSmartsPattern) OBSmartsPattern.GetUMapList = new_instancemethod(_openbabel.OBSmartsPattern_GetUMapList,None,OBSmartsPattern) OBSmartsPattern.WriteMapList = new_instancemethod(_openbabel.OBSmartsPattern_WriteMapList,None,OBSmartsPattern) OBSmartsPattern_swigregister = _openbabel.OBSmartsPattern_swigregister OBSmartsPattern_swigregister(OBSmartsPattern) class OBSmartsMatcher(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): _openbabel.OBSmartsMatcher_swiginit(self,_openbabel.new_OBSmartsMatcher()) __swig_destroy__ = _openbabel.delete_OBSmartsMatcher OBSmartsMatcher.match = new_instancemethod(_openbabel.OBSmartsMatcher_match,None,OBSmartsMatcher) OBSmartsMatcher_swigregister = _openbabel.OBSmartsMatcher_swigregister OBSmartsMatcher_swigregister(OBSmartsMatcher) 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 OBSSMatch.Match = new_instancemethod(_openbabel.OBSSMatch_Match,None,OBSSMatch) OBSSMatch_swigregister = _openbabel.OBSSMatch_swigregister OBSSMatch_swigregister(OBSSMatch) def SmartsLexReplace(*args): return _openbabel.SmartsLexReplace(*args) SmartsLexReplace = _openbabel.SmartsLexReplace class AliasData(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): _openbabel.AliasData_swiginit(self,_openbabel.new_AliasData()) RevertToAliasForm = staticmethod(_openbabel.AliasData_RevertToAliasForm) __swig_destroy__ = _openbabel.delete_AliasData AliasData.SetAlias = new_instancemethod(_openbabel.AliasData_SetAlias,None,AliasData) AliasData.GetAlias = new_instancemethod(_openbabel.AliasData_GetAlias,None,AliasData) AliasData.GetColor = new_instancemethod(_openbabel.AliasData_GetColor,None,AliasData) AliasData.SetColor = new_instancemethod(_openbabel.AliasData_SetColor,None,AliasData) AliasData.IsExpanded = new_instancemethod(_openbabel.AliasData_IsExpanded,None,AliasData) AliasData.Expand = new_instancemethod(_openbabel.AliasData_Expand,None,AliasData) AliasData_swigregister = _openbabel.AliasData_swigregister AliasData_swigregister(AliasData) AliasDataType = cvar.AliasDataType def AliasData_RevertToAliasForm(*args): return _openbabel.AliasData_RevertToAliasForm(*args) AliasData_RevertToAliasForm = _openbabel.AliasData_RevertToAliasForm class OBAtomClassData(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): _openbabel.OBAtomClassData_swiginit(self,_openbabel.new_OBAtomClassData()) __swig_destroy__ = _openbabel.delete_OBAtomClassData OBAtomClassData.Clear = new_instancemethod(_openbabel.OBAtomClassData_Clear,None,OBAtomClassData) OBAtomClassData.Add = new_instancemethod(_openbabel.OBAtomClassData_Add,None,OBAtomClassData) OBAtomClassData.HasClass = new_instancemethod(_openbabel.OBAtomClassData_HasClass,None,OBAtomClassData) OBAtomClassData.GetClass = new_instancemethod(_openbabel.OBAtomClassData_GetClass,None,OBAtomClassData) OBAtomClassData.GetClassString = new_instancemethod(_openbabel.OBAtomClassData_GetClassString,None,OBAtomClassData) OBAtomClassData.size = new_instancemethod(_openbabel.OBAtomClassData_size,None,OBAtomClassData) OBAtomClassData_swigregister = _openbabel.OBAtomClassData_swigregister OBAtomClassData_swigregister(OBAtomClassData) class OBFingerprint(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr Default = staticmethod(_openbabel.OBFingerprint_Default) FindType = staticmethod(_openbabel.OBFingerprint_FindType) __swig_destroy__ = _openbabel.delete_OBFingerprint FPT_UNIQUEBITS = _openbabel.OBFingerprint_FPT_UNIQUEBITS FPT_NOINFO = _openbabel.OBFingerprint_FPT_NOINFO Tanimoto = staticmethod(_openbabel.OBFingerprint_Tanimoto) Getbitsperint = staticmethod(_openbabel.OBFingerprint_Getbitsperint) FindFingerprint = staticmethod(_openbabel.OBFingerprint_FindFingerprint) OBFingerprint.SetBit = new_instancemethod(_openbabel.OBFingerprint_SetBit,None,OBFingerprint) OBFingerprint.GetBit = new_instancemethod(_openbabel.OBFingerprint_GetBit,None,OBFingerprint) OBFingerprint.Fold = new_instancemethod(_openbabel.OBFingerprint_Fold,None,OBFingerprint) OBFingerprint.GetFingerprint = new_instancemethod(_openbabel.OBFingerprint_GetFingerprint,None,OBFingerprint) OBFingerprint.Flags = new_instancemethod(_openbabel.OBFingerprint_Flags,None,OBFingerprint) OBFingerprint.SetFlags = new_instancemethod(_openbabel.OBFingerprint_SetFlags,None,OBFingerprint) OBFingerprint.DescribeBits = new_instancemethod(_openbabel.OBFingerprint_DescribeBits,None,OBFingerprint) OBFingerprint_swigregister = _openbabel.OBFingerprint_swigregister OBFingerprint_swigregister(OBFingerprint) def OBFingerprint_Default(): return _openbabel.OBFingerprint_Default() OBFingerprint_Default = _openbabel.OBFingerprint_Default def OBFingerprint_FindType(*args): return _openbabel.OBFingerprint_FindType(*args) OBFingerprint_FindType = _openbabel.OBFingerprint_FindType def OBFingerprint_Tanimoto(*args): return _openbabel.OBFingerprint_Tanimoto(*args) OBFingerprint_Tanimoto = _openbabel.OBFingerprint_Tanimoto def OBFingerprint_Getbitsperint(): return _openbabel.OBFingerprint_Getbitsperint() OBFingerprint_Getbitsperint = _openbabel.OBFingerprint_Getbitsperint def OBFingerprint_FindFingerprint(*args): return _openbabel.OBFingerprint_FindFingerprint(*args) 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): _openbabel.FptIndexHeader_swiginit(self,_openbabel.new_FptIndexHeader()) __swig_destroy__ = _openbabel.delete_FptIndexHeader FptIndexHeader_swigregister = _openbabel.FptIndexHeader_swigregister FptIndexHeader_swigregister(FptIndexHeader) 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 __swig_destroy__ = _openbabel.delete_FastSearch def __init__(self): _openbabel.FastSearch_swiginit(self,_openbabel.new_FastSearch()) FastSearch.ReadIndexFile = new_instancemethod(_openbabel.FastSearch_ReadIndexFile,None,FastSearch) FastSearch.ReadIndex = new_instancemethod(_openbabel.FastSearch_ReadIndex,None,FastSearch) FastSearch.Find = new_instancemethod(_openbabel.FastSearch_Find,None,FastSearch) FastSearch.FindMatch = new_instancemethod(_openbabel.FastSearch_FindMatch,None,FastSearch) FastSearch.FindSimilar = new_instancemethod(_openbabel.FastSearch_FindSimilar,None,FastSearch) FastSearch.GetFingerprint = new_instancemethod(_openbabel.FastSearch_GetFingerprint,None,FastSearch) FastSearch.GetIndexHeader = new_instancemethod(_openbabel.FastSearch_GetIndexHeader,None,FastSearch) 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 FastSearchIndexer.Add = new_instancemethod(_openbabel.FastSearchIndexer_Add,None,FastSearchIndexer) FastSearchIndexer_swigregister = _openbabel.FastSearchIndexer_swigregister FastSearchIndexer_swigregister(FastSearchIndexer) class OBDescriptor(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr Default = staticmethod(_openbabel.OBDescriptor_Default) def __init__(self, *args): _openbabel.OBDescriptor_swiginit(self,_openbabel.new_OBDescriptor(*args)) FindType = staticmethod(_openbabel.OBDescriptor_FindType) FilterCompare = staticmethod(_openbabel.OBDescriptor_FilterCompare) AddProperties = staticmethod(_openbabel.OBDescriptor_AddProperties) DeleteProperties = staticmethod(_openbabel.OBDescriptor_DeleteProperties) GetValues = staticmethod(_openbabel.OBDescriptor_GetValues) GetIdentifier = staticmethod(_openbabel.OBDescriptor_GetIdentifier) __swig_destroy__ = _openbabel.delete_OBDescriptor OBDescriptor.Predict = new_instancemethod(_openbabel.OBDescriptor_Predict,None,OBDescriptor) OBDescriptor.PredictAndSave = new_instancemethod(_openbabel.OBDescriptor_PredictAndSave,None,OBDescriptor) OBDescriptor.GetStringValue = new_instancemethod(_openbabel.OBDescriptor_GetStringValue,None,OBDescriptor) OBDescriptor.Compare = new_instancemethod(_openbabel.OBDescriptor_Compare,None,OBDescriptor) OBDescriptor.Display = new_instancemethod(_openbabel.OBDescriptor_Display,None,OBDescriptor) OBDescriptor.Order = new_instancemethod(_openbabel.OBDescriptor_Order,None,OBDescriptor) OBDescriptor_swigregister = _openbabel.OBDescriptor_swigregister OBDescriptor_swigregister(OBDescriptor) def OBDescriptor_Default(): return _openbabel.OBDescriptor_Default() OBDescriptor_Default = _openbabel.OBDescriptor_Default def OBDescriptor_FindType(*args): return _openbabel.OBDescriptor_FindType(*args) OBDescriptor_FindType = _openbabel.OBDescriptor_FindType def OBDescriptor_FilterCompare(*args): return _openbabel.OBDescriptor_FilterCompare(*args) OBDescriptor_FilterCompare = _openbabel.OBDescriptor_FilterCompare def OBDescriptor_AddProperties(*args): return _openbabel.OBDescriptor_AddProperties(*args) OBDescriptor_AddProperties = _openbabel.OBDescriptor_AddProperties def OBDescriptor_DeleteProperties(*args): return _openbabel.OBDescriptor_DeleteProperties(*args) OBDescriptor_DeleteProperties = _openbabel.OBDescriptor_DeleteProperties def OBDescriptor_GetValues(*args): return _openbabel.OBDescriptor_GetValues(*args) OBDescriptor_GetValues = _openbabel.OBDescriptor_GetValues def OBDescriptor_GetIdentifier(*args): return _openbabel.OBDescriptor_GetIdentifier(*args) OBDescriptor_GetIdentifier = _openbabel.OBDescriptor_GetIdentifier OBFF_LOGLVL_NONE = _openbabel.OBFF_LOGLVL_NONE OBFF_LOGLVL_LOW = _openbabel.OBFF_LOGLVL_LOW OBFF_LOGLVL_MEDIUM = _openbabel.OBFF_LOGLVL_MEDIUM OBFF_LOGLVL_HIGH = _openbabel.OBFF_LOGLVL_HIGH OBFF_ENERGY = _openbabel.OBFF_ENERGY OBFF_EBOND = _openbabel.OBFF_EBOND OBFF_EANGLE = _openbabel.OBFF_EANGLE OBFF_ESTRBND = _openbabel.OBFF_ESTRBND OBFF_ETORSION = _openbabel.OBFF_ETORSION OBFF_EOOP = _openbabel.OBFF_EOOP OBFF_EVDW = _openbabel.OBFF_EVDW OBFF_EELECTROSTATIC = _openbabel.OBFF_EELECTROSTATIC OBFF_CONST_IGNORE = _openbabel.OBFF_CONST_IGNORE OBFF_CONST_ATOM = _openbabel.OBFF_CONST_ATOM OBFF_CONST_ATOM_X = _openbabel.OBFF_CONST_ATOM_X OBFF_CONST_ATOM_Y = _openbabel.OBFF_CONST_ATOM_Y OBFF_CONST_ATOM_Z = _openbabel.OBFF_CONST_ATOM_Z OBFF_CONST_DISTANCE = _openbabel.OBFF_CONST_DISTANCE OBFF_CONST_ANGLE = _openbabel.OBFF_CONST_ANGLE OBFF_CONST_TORSION = _openbabel.OBFF_CONST_TORSION OBFF_CONST_CHIRAL = _openbabel.OBFF_CONST_CHIRAL OBFF_NUMERICAL_GRADIENT = _openbabel.OBFF_NUMERICAL_GRADIENT OBFF_ANALYTICAL_GRADIENT = _openbabel.OBFF_ANALYTICAL_GRADIENT KCAL_TO_KJ = _openbabel.KCAL_TO_KJ class LineSearchType(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr Simple = _openbabel.LineSearchType_Simple Newton2Num = _openbabel.LineSearchType_Newton2Num def __init__(self): _openbabel.LineSearchType_swiginit(self,_openbabel.new_LineSearchType()) __swig_destroy__ = _openbabel.delete_LineSearchType LineSearchType_swigregister = _openbabel.LineSearchType_swigregister LineSearchType_swigregister(LineSearchType) class OBFFParameter(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.OBFFParameter_a_get, _openbabel.OBFFParameter_a_set) b = _swig_property(_openbabel.OBFFParameter_b_get, _openbabel.OBFFParameter_b_set) c = _swig_property(_openbabel.OBFFParameter_c_get, _openbabel.OBFFParameter_c_set) d = _swig_property(_openbabel.OBFFParameter_d_get, _openbabel.OBFFParameter_d_set) _a = _swig_property(_openbabel.OBFFParameter__a_get, _openbabel.OBFFParameter__a_set) _b = _swig_property(_openbabel.OBFFParameter__b_get, _openbabel.OBFFParameter__b_set) _c = _swig_property(_openbabel.OBFFParameter__c_get, _openbabel.OBFFParameter__c_set) _d = _swig_property(_openbabel.OBFFParameter__d_get, _openbabel.OBFFParameter__d_set) _ipar = _swig_property(_openbabel.OBFFParameter__ipar_get, _openbabel.OBFFParameter__ipar_set) _dpar = _swig_property(_openbabel.OBFFParameter__dpar_get, _openbabel.OBFFParameter__dpar_set) def __init__(self): _openbabel.OBFFParameter_swiginit(self,_openbabel.new_OBFFParameter()) __swig_destroy__ = _openbabel.delete_OBFFParameter OBFFParameter.clear = new_instancemethod(_openbabel.OBFFParameter_clear,None,OBFFParameter) OBFFParameter_swigregister = _openbabel.OBFFParameter_swigregister OBFFParameter_swigregister(OBFFParameter) class OBFFCalculation2(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr energy = _swig_property(_openbabel.OBFFCalculation2_energy_get, _openbabel.OBFFCalculation2_energy_set) a = _swig_property(_openbabel.OBFFCalculation2_a_get, _openbabel.OBFFCalculation2_a_set) b = _swig_property(_openbabel.OBFFCalculation2_b_get, _openbabel.OBFFCalculation2_b_set) idx_a = _swig_property(_openbabel.OBFFCalculation2_idx_a_get, _openbabel.OBFFCalculation2_idx_a_set) idx_b = _swig_property(_openbabel.OBFFCalculation2_idx_b_get, _openbabel.OBFFCalculation2_idx_b_set) pos_a = _swig_property(_openbabel.OBFFCalculation2_pos_a_get, _openbabel.OBFFCalculation2_pos_a_set) pos_b = _swig_property(_openbabel.OBFFCalculation2_pos_b_get, _openbabel.OBFFCalculation2_pos_b_set) force_a = _swig_property(_openbabel.OBFFCalculation2_force_a_get, _openbabel.OBFFCalculation2_force_a_set) force_b = _swig_property(_openbabel.OBFFCalculation2_force_b_get, _openbabel.OBFFCalculation2_force_b_set) __swig_destroy__ = _openbabel.delete_OBFFCalculation2 def __init__(self): _openbabel.OBFFCalculation2_swiginit(self,_openbabel.new_OBFFCalculation2()) OBFFCalculation2.SetupPointers = new_instancemethod(_openbabel.OBFFCalculation2_SetupPointers,None,OBFFCalculation2) OBFFCalculation2_swigregister = _openbabel.OBFFCalculation2_swigregister OBFFCalculation2_swigregister(OBFFCalculation2) class OBFFCalculation3(OBFFCalculation2): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr c = _swig_property(_openbabel.OBFFCalculation3_c_get, _openbabel.OBFFCalculation3_c_set) idx_c = _swig_property(_openbabel.OBFFCalculation3_idx_c_get, _openbabel.OBFFCalculation3_idx_c_set) pos_c = _swig_property(_openbabel.OBFFCalculation3_pos_c_get, _openbabel.OBFFCalculation3_pos_c_set) force_c = _swig_property(_openbabel.OBFFCalculation3_force_c_get, _openbabel.OBFFCalculation3_force_c_set) __swig_destroy__ = _openbabel.delete_OBFFCalculation3 def __init__(self): _openbabel.OBFFCalculation3_swiginit(self,_openbabel.new_OBFFCalculation3()) OBFFCalculation3_swigregister = _openbabel.OBFFCalculation3_swigregister OBFFCalculation3_swigregister(OBFFCalculation3) class OBFFCalculation4(OBFFCalculation3): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr d = _swig_property(_openbabel.OBFFCalculation4_d_get, _openbabel.OBFFCalculation4_d_set) idx_d = _swig_property(_openbabel.OBFFCalculation4_idx_d_get, _openbabel.OBFFCalculation4_idx_d_set) pos_d = _swig_property(_openbabel.OBFFCalculation4_pos_d_get, _openbabel.OBFFCalculation4_pos_d_set) force_d = _swig_property(_openbabel.OBFFCalculation4_force_d_get, _openbabel.OBFFCalculation4_force_d_set) __swig_destroy__ = _openbabel.delete_OBFFCalculation4 def __init__(self): _openbabel.OBFFCalculation4_swiginit(self,_openbabel.new_OBFFCalculation4()) OBFFCalculation4_swigregister = _openbabel.OBFFCalculation4_swigregister OBFFCalculation4_swigregister(OBFFCalculation4) class OBFFConstraint(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr factor = _swig_property(_openbabel.OBFFConstraint_factor_get, _openbabel.OBFFConstraint_factor_set) constraint_value = _swig_property(_openbabel.OBFFConstraint_constraint_value_get, _openbabel.OBFFConstraint_constraint_value_set) rab0 = _swig_property(_openbabel.OBFFConstraint_rab0_get, _openbabel.OBFFConstraint_rab0_set) rbc0 = _swig_property(_openbabel.OBFFConstraint_rbc0_get, _openbabel.OBFFConstraint_rbc0_set) type = _swig_property(_openbabel.OBFFConstraint_type_get, _openbabel.OBFFConstraint_type_set) ia = _swig_property(_openbabel.OBFFConstraint_ia_get, _openbabel.OBFFConstraint_ia_set) ib = _swig_property(_openbabel.OBFFConstraint_ib_get, _openbabel.OBFFConstraint_ib_set) ic = _swig_property(_openbabel.OBFFConstraint_ic_get, _openbabel.OBFFConstraint_ic_set) id = _swig_property(_openbabel.OBFFConstraint_id_get, _openbabel.OBFFConstraint_id_set) a = _swig_property(_openbabel.OBFFConstraint_a_get, _openbabel.OBFFConstraint_a_set) b = _swig_property(_openbabel.OBFFConstraint_b_get, _openbabel.OBFFConstraint_b_set) c = _swig_property(_openbabel.OBFFConstraint_c_get, _openbabel.OBFFConstraint_c_set) d = _swig_property(_openbabel.OBFFConstraint_d_get, _openbabel.OBFFConstraint_d_set) grada = _swig_property(_openbabel.OBFFConstraint_grada_get, _openbabel.OBFFConstraint_grada_set) gradb = _swig_property(_openbabel.OBFFConstraint_gradb_get, _openbabel.OBFFConstraint_gradb_set) gradc = _swig_property(_openbabel.OBFFConstraint_gradc_get, _openbabel.OBFFConstraint_gradc_set) gradd = _swig_property(_openbabel.OBFFConstraint_gradd_get, _openbabel.OBFFConstraint_gradd_set) def __init__(self): _openbabel.OBFFConstraint_swiginit(self,_openbabel.new_OBFFConstraint()) __swig_destroy__ = _openbabel.delete_OBFFConstraint OBFFConstraint.GetGradient = new_instancemethod(_openbabel.OBFFConstraint_GetGradient,None,OBFFConstraint) OBFFConstraint_swigregister = _openbabel.OBFFConstraint_swigregister OBFFConstraint_swigregister(OBFFConstraint) class OBFFConstraints(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): _openbabel.OBFFConstraints_swiginit(self,_openbabel.new_OBFFConstraints()) __swig_destroy__ = _openbabel.delete_OBFFConstraints OBFFConstraints.Clear = new_instancemethod(_openbabel.OBFFConstraints_Clear,None,OBFFConstraints) OBFFConstraints.GetConstraintEnergy = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintEnergy,None,OBFFConstraints) OBFFConstraints.GetGradient = new_instancemethod(_openbabel.OBFFConstraints_GetGradient,None,OBFFConstraints) OBFFConstraints.Setup = new_instancemethod(_openbabel.OBFFConstraints_Setup,None,OBFFConstraints) OBFFConstraints.SetFactor = new_instancemethod(_openbabel.OBFFConstraints_SetFactor,None,OBFFConstraints) OBFFConstraints.AddIgnore = new_instancemethod(_openbabel.OBFFConstraints_AddIgnore,None,OBFFConstraints) OBFFConstraints.AddAtomConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddAtomConstraint,None,OBFFConstraints) OBFFConstraints.AddAtomXConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddAtomXConstraint,None,OBFFConstraints) OBFFConstraints.AddAtomYConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddAtomYConstraint,None,OBFFConstraints) OBFFConstraints.AddAtomZConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddAtomZConstraint,None,OBFFConstraints) OBFFConstraints.AddDistanceConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddDistanceConstraint,None,OBFFConstraints) OBFFConstraints.AddAngleConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddAngleConstraint,None,OBFFConstraints) OBFFConstraints.AddTorsionConstraint = new_instancemethod(_openbabel.OBFFConstraints_AddTorsionConstraint,None,OBFFConstraints) OBFFConstraints.DeleteConstraint = new_instancemethod(_openbabel.OBFFConstraints_DeleteConstraint,None,OBFFConstraints) OBFFConstraints.GetFactor = new_instancemethod(_openbabel.OBFFConstraints_GetFactor,None,OBFFConstraints) OBFFConstraints.Size = new_instancemethod(_openbabel.OBFFConstraints_Size,None,OBFFConstraints) OBFFConstraints.GetConstraintType = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintType,None,OBFFConstraints) OBFFConstraints.GetConstraintValue = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintValue,None,OBFFConstraints) OBFFConstraints.GetConstraintAtomA = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintAtomA,None,OBFFConstraints) OBFFConstraints.GetConstraintAtomB = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintAtomB,None,OBFFConstraints) OBFFConstraints.GetConstraintAtomC = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintAtomC,None,OBFFConstraints) OBFFConstraints.GetConstraintAtomD = new_instancemethod(_openbabel.OBFFConstraints_GetConstraintAtomD,None,OBFFConstraints) OBFFConstraints.IsIgnored = new_instancemethod(_openbabel.OBFFConstraints_IsIgnored,None,OBFFConstraints) OBFFConstraints.IsFixed = new_instancemethod(_openbabel.OBFFConstraints_IsFixed,None,OBFFConstraints) OBFFConstraints.IsXFixed = new_instancemethod(_openbabel.OBFFConstraints_IsXFixed,None,OBFFConstraints) OBFFConstraints.IsYFixed = new_instancemethod(_openbabel.OBFFConstraints_IsYFixed,None,OBFFConstraints) OBFFConstraints.IsZFixed = new_instancemethod(_openbabel.OBFFConstraints_IsZFixed,None,OBFFConstraints) OBFFConstraints.GetIgnoredBitVec = new_instancemethod(_openbabel.OBFFConstraints_GetIgnoredBitVec,None,OBFFConstraints) OBFFConstraints.GetFixedBitVec = new_instancemethod(_openbabel.OBFFConstraints_GetFixedBitVec,None,OBFFConstraints) OBFFConstraints_swigregister = _openbabel.OBFFConstraints_swigregister OBFFConstraints_swigregister(OBFFConstraints) class OBForceField(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr Default = staticmethod(_openbabel.OBForceField_Default) FindType = staticmethod(_openbabel.OBForceField_FindType) __swig_destroy__ = _openbabel.delete_OBForceField FindForceField = staticmethod(_openbabel.OBForceField_FindForceField) IgnoreCalculation = staticmethod(_openbabel.OBForceField_IgnoreCalculation) VectorBondDerivative = staticmethod(_openbabel.OBForceField_VectorBondDerivative) VectorDistanceDerivative = staticmethod(_openbabel.OBForceField_VectorDistanceDerivative) VectorLengthDerivative = staticmethod(_openbabel.OBForceField_VectorLengthDerivative) VectorAngleDerivative = staticmethod(_openbabel.OBForceField_VectorAngleDerivative) VectorOOPDerivative = staticmethod(_openbabel.OBForceField_VectorOOPDerivative) VectorTorsionDerivative = staticmethod(_openbabel.OBForceField_VectorTorsionDerivative) VectorSubtract = staticmethod(_openbabel.OBForceField_VectorSubtract) VectorAdd = staticmethod(_openbabel.OBForceField_VectorAdd) VectorDivide = staticmethod(_openbabel.OBForceField_VectorDivide) VectorMultiply = staticmethod(_openbabel.OBForceField_VectorMultiply) VectorSelfMultiply = staticmethod(_openbabel.OBForceField_VectorSelfMultiply) VectorNormalize = staticmethod(_openbabel.OBForceField_VectorNormalize) VectorCopy = staticmethod(_openbabel.OBForceField_VectorCopy) VectorLength = staticmethod(_openbabel.OBForceField_VectorLength) VectorDistance = staticmethod(_openbabel.OBForceField_VectorDistance) VectorAngle = staticmethod(_openbabel.OBForceField_VectorAngle) VectorTorsion = staticmethod(_openbabel.OBForceField_VectorTorsion) VectorOOP = staticmethod(_openbabel.OBForceField_VectorOOP) VectorClear = staticmethod(_openbabel.OBForceField_VectorClear) VectorDot = staticmethod(_openbabel.OBForceField_VectorDot) VectorCross = staticmethod(_openbabel.OBForceField_VectorCross) PrintVector = staticmethod(_openbabel.OBForceField_PrintVector) OBForceField.MakeNewInstance = new_instancemethod(_openbabel.OBForceField_MakeNewInstance,None,OBForceField) OBForceField.SetParameterFile = new_instancemethod(_openbabel.OBForceField_SetParameterFile,None,OBForceField) OBForceField.GetUnit = new_instancemethod(_openbabel.OBForceField_GetUnit,None,OBForceField) OBForceField.HasAnalyticalGradients = new_instancemethod(_openbabel.OBForceField_HasAnalyticalGradients,None,OBForceField) OBForceField.Setup = new_instancemethod(_openbabel.OBForceField_Setup,None,OBForceField) OBForceField.ParseParamFile = new_instancemethod(_openbabel.OBForceField_ParseParamFile,None,OBForceField) OBForceField.SetTypes = new_instancemethod(_openbabel.OBForceField_SetTypes,None,OBForceField) OBForceField.SetFormalCharges = new_instancemethod(_openbabel.OBForceField_SetFormalCharges,None,OBForceField) OBForceField.SetPartialCharges = new_instancemethod(_openbabel.OBForceField_SetPartialCharges,None,OBForceField) OBForceField.SetupCalculations = new_instancemethod(_openbabel.OBForceField_SetupCalculations,None,OBForceField) OBForceField.SetupPointers = new_instancemethod(_openbabel.OBForceField_SetupPointers,None,OBForceField) OBForceField.IsSetupNeeded = new_instancemethod(_openbabel.OBForceField_IsSetupNeeded,None,OBForceField) OBForceField.GetAtomTypes = new_instancemethod(_openbabel.OBForceField_GetAtomTypes,None,OBForceField) OBForceField.GetPartialCharges = new_instancemethod(_openbabel.OBForceField_GetPartialCharges,None,OBForceField) OBForceField.GetCoordinates = new_instancemethod(_openbabel.OBForceField_GetCoordinates,None,OBForceField) OBForceField.UpdateCoordinates = new_instancemethod(_openbabel.OBForceField_UpdateCoordinates,None,OBForceField) OBForceField.GetConformers = new_instancemethod(_openbabel.OBForceField_GetConformers,None,OBForceField) OBForceField.UpdateConformers = new_instancemethod(_openbabel.OBForceField_UpdateConformers,None,OBForceField) OBForceField.SetCoordinates = new_instancemethod(_openbabel.OBForceField_SetCoordinates,None,OBForceField) OBForceField.SetConformers = new_instancemethod(_openbabel.OBForceField_SetConformers,None,OBForceField) OBForceField.GetGrid = new_instancemethod(_openbabel.OBForceField_GetGrid,None,OBForceField) OBForceField.AddIntraGroup = new_instancemethod(_openbabel.OBForceField_AddIntraGroup,None,OBForceField) OBForceField.AddInterGroup = new_instancemethod(_openbabel.OBForceField_AddInterGroup,None,OBForceField) OBForceField.AddInterGroups = new_instancemethod(_openbabel.OBForceField_AddInterGroups,None,OBForceField) OBForceField.ClearGroups = new_instancemethod(_openbabel.OBForceField_ClearGroups,None,OBForceField) OBForceField.HasGroups = new_instancemethod(_openbabel.OBForceField_HasGroups,None,OBForceField) OBForceField.EnableCutOff = new_instancemethod(_openbabel.OBForceField_EnableCutOff,None,OBForceField) OBForceField.IsCutOffEnabled = new_instancemethod(_openbabel.OBForceField_IsCutOffEnabled,None,OBForceField) OBForceField.SetVDWCutOff = new_instancemethod(_openbabel.OBForceField_SetVDWCutOff,None,OBForceField) OBForceField.GetVDWCutOff = new_instancemethod(_openbabel.OBForceField_GetVDWCutOff,None,OBForceField) OBForceField.SetElectrostaticCutOff = new_instancemethod(_openbabel.OBForceField_SetElectrostaticCutOff,None,OBForceField) OBForceField.GetElectrostaticCutOff = new_instancemethod(_openbabel.OBForceField_GetElectrostaticCutOff,None,OBForceField) OBForceField.SetUpdateFrequency = new_instancemethod(_openbabel.OBForceField_SetUpdateFrequency,None,OBForceField) OBForceField.GetUpdateFrequency = new_instancemethod(_openbabel.OBForceField_GetUpdateFrequency,None,OBForceField) OBForceField.UpdatePairsSimple = new_instancemethod(_openbabel.OBForceField_UpdatePairsSimple,None,OBForceField) OBForceField.GetNumPairs = new_instancemethod(_openbabel.OBForceField_GetNumPairs,None,OBForceField) OBForceField.EnableAllPairs = new_instancemethod(_openbabel.OBForceField_EnableAllPairs,None,OBForceField) OBForceField.Energy = new_instancemethod(_openbabel.OBForceField_Energy,None,OBForceField) OBForceField.E_Bond = new_instancemethod(_openbabel.OBForceField_E_Bond,None,OBForceField) OBForceField.E_Angle = new_instancemethod(_openbabel.OBForceField_E_Angle,None,OBForceField) OBForceField.E_StrBnd = new_instancemethod(_openbabel.OBForceField_E_StrBnd,None,OBForceField) OBForceField.E_Torsion = new_instancemethod(_openbabel.OBForceField_E_Torsion,None,OBForceField) OBForceField.E_OOP = new_instancemethod(_openbabel.OBForceField_E_OOP,None,OBForceField) OBForceField.E_VDW = new_instancemethod(_openbabel.OBForceField_E_VDW,None,OBForceField) OBForceField.E_Electrostatic = new_instancemethod(_openbabel.OBForceField_E_Electrostatic,None,OBForceField) OBForceField.PrintTypes = new_instancemethod(_openbabel.OBForceField_PrintTypes,None,OBForceField) OBForceField.PrintFormalCharges = new_instancemethod(_openbabel.OBForceField_PrintFormalCharges,None,OBForceField) OBForceField.PrintPartialCharges = new_instancemethod(_openbabel.OBForceField_PrintPartialCharges,None,OBForceField) OBForceField.PrintVelocities = new_instancemethod(_openbabel.OBForceField_PrintVelocities,None,OBForceField) OBForceField.SetLogFile = new_instancemethod(_openbabel.OBForceField_SetLogFile,None,OBForceField) OBForceField.SetLogLevel = new_instancemethod(_openbabel.OBForceField_SetLogLevel,None,OBForceField) OBForceField.GetLogLevel = new_instancemethod(_openbabel.OBForceField_GetLogLevel,None,OBForceField) OBForceField.OBFFLog = new_instancemethod(_openbabel.OBForceField_OBFFLog,None,OBForceField) OBForceField.DistanceGeometry = new_instancemethod(_openbabel.OBForceField_DistanceGeometry,None,OBForceField) OBForceField.SystematicRotorSearch = new_instancemethod(_openbabel.OBForceField_SystematicRotorSearch,None,OBForceField) OBForceField.SystematicRotorSearchInitialize = new_instancemethod(_openbabel.OBForceField_SystematicRotorSearchInitialize,None,OBForceField) OBForceField.SystematicRotorSearchNextConformer = new_instancemethod(_openbabel.OBForceField_SystematicRotorSearchNextConformer,None,OBForceField) OBForceField.RandomRotorSearch = new_instancemethod(_openbabel.OBForceField_RandomRotorSearch,None,OBForceField) OBForceField.RandomRotorSearchInitialize = new_instancemethod(_openbabel.OBForceField_RandomRotorSearchInitialize,None,OBForceField) OBForceField.RandomRotorSearchNextConformer = new_instancemethod(_openbabel.OBForceField_RandomRotorSearchNextConformer,None,OBForceField) OBForceField.WeightedRotorSearch = new_instancemethod(_openbabel.OBForceField_WeightedRotorSearch,None,OBForceField) OBForceField.SetLineSearchType = new_instancemethod(_openbabel.OBForceField_SetLineSearchType,None,OBForceField) OBForceField.GetLineSearchType = new_instancemethod(_openbabel.OBForceField_GetLineSearchType,None,OBForceField) OBForceField.LineSearch = new_instancemethod(_openbabel.OBForceField_LineSearch,None,OBForceField) OBForceField.Newton2NumLineSearch = new_instancemethod(_openbabel.OBForceField_Newton2NumLineSearch,None,OBForceField) OBForceField.LineSearchTakeStep = new_instancemethod(_openbabel.OBForceField_LineSearchTakeStep,None,OBForceField) OBForceField.SteepestDescent = new_instancemethod(_openbabel.OBForceField_SteepestDescent,None,OBForceField) OBForceField.SteepestDescentInitialize = new_instancemethod(_openbabel.OBForceField_SteepestDescentInitialize,None,OBForceField) OBForceField.SteepestDescentTakeNSteps = new_instancemethod(_openbabel.OBForceField_SteepestDescentTakeNSteps,None,OBForceField) OBForceField.ConjugateGradients = new_instancemethod(_openbabel.OBForceField_ConjugateGradients,None,OBForceField) OBForceField.ConjugateGradientsInitialize = new_instancemethod(_openbabel.OBForceField_ConjugateGradientsInitialize,None,OBForceField) OBForceField.ConjugateGradientsTakeNSteps = new_instancemethod(_openbabel.OBForceField_ConjugateGradientsTakeNSteps,None,OBForceField) OBForceField.GenerateVelocities = new_instancemethod(_openbabel.OBForceField_GenerateVelocities,None,OBForceField) OBForceField.CorrectVelocities = new_instancemethod(_openbabel.OBForceField_CorrectVelocities,None,OBForceField) OBForceField.MolecularDynamicsTakeNSteps = new_instancemethod(_openbabel.OBForceField_MolecularDynamicsTakeNSteps,None,OBForceField) OBForceField.GetConstraints = new_instancemethod(_openbabel.OBForceField_GetConstraints,None,OBForceField) OBForceField.SetConstraints = new_instancemethod(_openbabel.OBForceField_SetConstraints,None,OBForceField) OBForceField.SetFixAtom = new_instancemethod(_openbabel.OBForceField_SetFixAtom,None,OBForceField) OBForceField.UnsetFixAtom = new_instancemethod(_openbabel.OBForceField_UnsetFixAtom,None,OBForceField) OBForceField.SetIgnoreAtom = new_instancemethod(_openbabel.OBForceField_SetIgnoreAtom,None,OBForceField) OBForceField.UnsetIgnoreAtom = new_instancemethod(_openbabel.OBForceField_UnsetIgnoreAtom,None,OBForceField) OBForceField.DetectExplosion = new_instancemethod(_openbabel.OBForceField_DetectExplosion,None,OBForceField) OBForceField.ValidateLineSearch = new_instancemethod(_openbabel.OBForceField_ValidateLineSearch,None,OBForceField) OBForceField.ValidateSteepestDescent = new_instancemethod(_openbabel.OBForceField_ValidateSteepestDescent,None,OBForceField) OBForceField.ValidateConjugateGradients = new_instancemethod(_openbabel.OBForceField_ValidateConjugateGradients,None,OBForceField) OBForceField.Validate = new_instancemethod(_openbabel.OBForceField_Validate,None,OBForceField) OBForceField.ValidateGradients = new_instancemethod(_openbabel.OBForceField_ValidateGradients,None,OBForceField) OBForceField.ValidateGradientError = new_instancemethod(_openbabel.OBForceField_ValidateGradientError,None,OBForceField) OBForceField.SetLogToStdOut = new_instancemethod(_openbabel.OBForceField_SetLogToStdOut,None,OBForceField) OBForceField.SetLogToStdErr = new_instancemethod(_openbabel.OBForceField_SetLogToStdErr,None,OBForceField) OBForceField_swigregister = _openbabel.OBForceField_swigregister OBForceField_swigregister(OBForceField) def OBForceField_Default(): return _openbabel.OBForceField_Default() OBForceField_Default = _openbabel.OBForceField_Default def OBForceField_FindType(*args): return _openbabel.OBForceField_FindType(*args) OBForceField_FindType = _openbabel.OBForceField_FindType def OBForceField_FindForceField(*args): return _openbabel.OBForceField_FindForceField(*args) OBForceField_FindForceField = _openbabel.OBForceField_FindForceField def OBForceField_IgnoreCalculation(*args): return _openbabel.OBForceField_IgnoreCalculation(*args) OBForceField_IgnoreCalculation = _openbabel.OBForceField_IgnoreCalculation def OBForceField_VectorBondDerivative(*args): return _openbabel.OBForceField_VectorBondDerivative(*args) OBForceField_VectorBondDerivative = _openbabel.OBForceField_VectorBondDerivative def OBForceField_VectorDistanceDerivative(*args): return _openbabel.OBForceField_VectorDistanceDerivative(*args) OBForceField_VectorDistanceDerivative = _openbabel.OBForceField_VectorDistanceDerivative def OBForceField_VectorLengthDerivative(*args): return _openbabel.OBForceField_VectorLengthDerivative(*args) OBForceField_VectorLengthDerivative = _openbabel.OBForceField_VectorLengthDerivative def OBForceField_VectorAngleDerivative(*args): return _openbabel.OBForceField_VectorAngleDerivative(*args) OBForceField_VectorAngleDerivative = _openbabel.OBForceField_VectorAngleDerivative def OBForceField_VectorOOPDerivative(*args): return _openbabel.OBForceField_VectorOOPDerivative(*args) OBForceField_VectorOOPDerivative = _openbabel.OBForceField_VectorOOPDerivative def OBForceField_VectorTorsionDerivative(*args): return _openbabel.OBForceField_VectorTorsionDerivative(*args) OBForceField_VectorTorsionDerivative = _openbabel.OBForceField_VectorTorsionDerivative def OBForceField_VectorSubtract(*args): return _openbabel.OBForceField_VectorSubtract(*args) OBForceField_VectorSubtract = _openbabel.OBForceField_VectorSubtract def OBForceField_VectorAdd(*args): return _openbabel.OBForceField_VectorAdd(*args) OBForceField_VectorAdd = _openbabel.OBForceField_VectorAdd def OBForceField_VectorDivide(*args): return _openbabel.OBForceField_VectorDivide(*args) OBForceField_VectorDivide = _openbabel.OBForceField_VectorDivide def OBForceField_VectorMultiply(*args): return _openbabel.OBForceField_VectorMultiply(*args) OBForceField_VectorMultiply = _openbabel.OBForceField_VectorMultiply def OBForceField_VectorSelfMultiply(*args): return _openbabel.OBForceField_VectorSelfMultiply(*args) OBForceField_VectorSelfMultiply = _openbabel.OBForceField_VectorSelfMultiply def OBForceField_VectorNormalize(*args): return _openbabel.OBForceField_VectorNormalize(*args) OBForceField_VectorNormalize = _openbabel.OBForceField_VectorNormalize def OBForceField_VectorCopy(*args): return _openbabel.OBForceField_VectorCopy(*args) OBForceField_VectorCopy = _openbabel.OBForceField_VectorCopy def OBForceField_VectorLength(*args): return _openbabel.OBForceField_VectorLength(*args) OBForceField_VectorLength = _openbabel.OBForceField_VectorLength def OBForceField_VectorDistance(*args): return _openbabel.OBForceField_VectorDistance(*args) OBForceField_VectorDistance = _openbabel.OBForceField_VectorDistance def OBForceField_VectorAngle(*args): return _openbabel.OBForceField_VectorAngle(*args) OBForceField_VectorAngle = _openbabel.OBForceField_VectorAngle def OBForceField_VectorTorsion(*args): return _openbabel.OBForceField_VectorTorsion(*args) OBForceField_VectorTorsion = _openbabel.OBForceField_VectorTorsion def OBForceField_VectorOOP(*args): return _openbabel.OBForceField_VectorOOP(*args) OBForceField_VectorOOP = _openbabel.OBForceField_VectorOOP def OBForceField_VectorClear(*args): return _openbabel.OBForceField_VectorClear(*args) OBForceField_VectorClear = _openbabel.OBForceField_VectorClear def OBForceField_VectorDot(*args): return _openbabel.OBForceField_VectorDot(*args) OBForceField_VectorDot = _openbabel.OBForceField_VectorDot def OBForceField_VectorCross(*args): return _openbabel.OBForceField_VectorCross(*args) OBForceField_VectorCross = _openbabel.OBForceField_VectorCross def OBForceField_PrintVector(*args): return _openbabel.OBForceField_PrintVector(*args) OBForceField_PrintVector = _openbabel.OBForceField_PrintVector class OBBuilder(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): _openbabel.OBBuilder_swiginit(self,_openbabel.new_OBBuilder()) GetNewBondVector = staticmethod(_openbabel.OBBuilder_GetNewBondVector) Connect = staticmethod(_openbabel.OBBuilder_Connect) Swap = staticmethod(_openbabel.OBBuilder_Swap) CorrectStereoBonds = staticmethod(_openbabel.OBBuilder_CorrectStereoBonds) CorrectStereoAtoms = staticmethod(_openbabel.OBBuilder_CorrectStereoAtoms) IsSpiroAtom = staticmethod(_openbabel.OBBuilder_IsSpiroAtom) GetFragment = staticmethod(_openbabel.OBBuilder_GetFragment) AddNbrs = staticmethod(_openbabel.OBBuilder_AddNbrs) __swig_destroy__ = _openbabel.delete_OBBuilder OBBuilder.Build = new_instancemethod(_openbabel.OBBuilder_Build,None,OBBuilder) OBBuilder.SetKeepRings = new_instancemethod(_openbabel.OBBuilder_SetKeepRings,None,OBBuilder) OBBuilder.UnsetKeepRings = new_instancemethod(_openbabel.OBBuilder_UnsetKeepRings,None,OBBuilder) OBBuilder.LoadFragments = new_instancemethod(_openbabel.OBBuilder_LoadFragments,None,OBBuilder) OBBuilder_swigregister = _openbabel.OBBuilder_swigregister OBBuilder_swigregister(OBBuilder) def OBBuilder_GetNewBondVector(*args): return _openbabel.OBBuilder_GetNewBondVector(*args) OBBuilder_GetNewBondVector = _openbabel.OBBuilder_GetNewBondVector def OBBuilder_Connect(*args): return _openbabel.OBBuilder_Connect(*args) OBBuilder_Connect = _openbabel.OBBuilder_Connect def OBBuilder_Swap(*args): return _openbabel.OBBuilder_Swap(*args) OBBuilder_Swap = _openbabel.OBBuilder_Swap def OBBuilder_CorrectStereoBonds(*args): return _openbabel.OBBuilder_CorrectStereoBonds(*args) OBBuilder_CorrectStereoBonds = _openbabel.OBBuilder_CorrectStereoBonds def OBBuilder_CorrectStereoAtoms(*args): return _openbabel.OBBuilder_CorrectStereoAtoms(*args) OBBuilder_CorrectStereoAtoms = _openbabel.OBBuilder_CorrectStereoAtoms def OBBuilder_IsSpiroAtom(*args): return _openbabel.OBBuilder_IsSpiroAtom(*args) OBBuilder_IsSpiroAtom = _openbabel.OBBuilder_IsSpiroAtom def OBBuilder_GetFragment(*args): return _openbabel.OBBuilder_GetFragment(*args) OBBuilder_GetFragment = _openbabel.OBBuilder_GetFragment def OBBuilder_AddNbrs(*args): return _openbabel.OBBuilder_AddNbrs(*args) OBBuilder_AddNbrs = _openbabel.OBBuilder_AddNbrs class OBOp(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr Default = staticmethod(_openbabel.OBOp_Default) FindType = staticmethod(_openbabel.OBOp_FindType) OpOptions = staticmethod(_openbabel.OBOp_OpOptions) DoOps = staticmethod(_openbabel.OBOp_DoOps) __swig_destroy__ = _openbabel.delete_OBOp OBOp.Do = new_instancemethod(_openbabel.OBOp_Do,None,OBOp) OBOp.WorksWith = new_instancemethod(_openbabel.OBOp_WorksWith,None,OBOp) OBOp.ProcessVec = new_instancemethod(_openbabel.OBOp_ProcessVec,None,OBOp) OBOp_swigregister = _openbabel.OBOp_swigregister OBOp_swigregister(OBOp) def OBOp_Default(): return _openbabel.OBOp_Default() OBOp_Default = _openbabel.OBOp_Default def OBOp_FindType(*args): return _openbabel.OBOp_FindType(*args) OBOp_FindType = _openbabel.OBOp_FindType def OBOp_OpOptions(*args): return _openbabel.OBOp_OpOptions(*args) OBOp_OpOptions = _openbabel.OBOp_OpOptions def OBOp_DoOps(*args): return _openbabel.OBOp_DoOps(*args) OBOp_DoOps = _openbabel.OBOp_DoOps class OBChargeModel(OBPlugin): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr Default = staticmethod(_openbabel.OBChargeModel_Default) def __init__(self, *args): _openbabel.OBChargeModel_swiginit(self,_openbabel.new_OBChargeModel(*args)) FindType = staticmethod(_openbabel.OBChargeModel_FindType) __swig_destroy__ = _openbabel.delete_OBChargeModel OBChargeModel.ComputeCharges = new_instancemethod(_openbabel.OBChargeModel_ComputeCharges,None,OBChargeModel) OBChargeModel.GetFormalCharges = new_instancemethod(_openbabel.OBChargeModel_GetFormalCharges,None,OBChargeModel) OBChargeModel.GetPartialCharges = new_instancemethod(_openbabel.OBChargeModel_GetPartialCharges,None,OBChargeModel) OBChargeModel.GetDipoleMoment = new_instancemethod(_openbabel.OBChargeModel_GetDipoleMoment,None,OBChargeModel) OBChargeModel_swigregister = _openbabel.OBChargeModel_swigregister OBChargeModel_swigregister(OBChargeModel) def OBChargeModel_Default(): return _openbabel.OBChargeModel_Default() OBChargeModel_Default = _openbabel.OBChargeModel_Default def OBChargeModel_FindType(*args): return _openbabel.OBChargeModel_FindType(*args) OBChargeModel_FindType = _openbabel.OBChargeModel_FindType class OBChemTsfm(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): _openbabel.OBChemTsfm_swiginit(self,_openbabel.new_OBChemTsfm()) __swig_destroy__ = _openbabel.delete_OBChemTsfm OBChemTsfm.Init = new_instancemethod(_openbabel.OBChemTsfm_Init,None,OBChemTsfm) OBChemTsfm.Apply = new_instancemethod(_openbabel.OBChemTsfm_Apply,None,OBChemTsfm) OBChemTsfm.IsAcid = new_instancemethod(_openbabel.OBChemTsfm_IsAcid,None,OBChemTsfm) OBChemTsfm.IsBase = new_instancemethod(_openbabel.OBChemTsfm_IsBase,None,OBChemTsfm) OBChemTsfm_swigregister = _openbabel.OBChemTsfm_swigregister OBChemTsfm_swigregister(OBChemTsfm) class OBPhModel(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): _openbabel.OBPhModel_swiginit(self,_openbabel.new_OBPhModel()) __swig_destroy__ = _openbabel.delete_OBPhModel OBPhModel.AssignSeedPartialCharge = new_instancemethod(_openbabel.OBPhModel_AssignSeedPartialCharge,None,OBPhModel) OBPhModel.CorrectForPH = new_instancemethod(_openbabel.OBPhModel_CorrectForPH,None,OBPhModel) OBPhModel_swigregister = _openbabel.OBPhModel_swigregister OBPhModel_swigregister(OBPhModel) class OBGraphSym(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.OBGraphSym_swiginit(self,_openbabel.new_OBGraphSym(*args)) __swig_destroy__ = _openbabel.delete_OBGraphSym OBGraphSym.GetSymmetry = new_instancemethod(_openbabel.OBGraphSym_GetSymmetry,None,OBGraphSym) OBGraphSym.ClearSymmetry = new_instancemethod(_openbabel.OBGraphSym_ClearSymmetry,None,OBGraphSym) OBGraphSym_swigregister = _openbabel.OBGraphSym_swigregister OBGraphSym_swigregister(OBGraphSym) OBGraphSym.NoSymmetryClass = _openbabel.cvar.OBGraphSym_NoSymmetryClass class OBIsomorphismMapper(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBIsomorphismMapper GetInstance = staticmethod(_openbabel.OBIsomorphismMapper_GetInstance) OBIsomorphismMapper.MapFirst = new_instancemethod(_openbabel.OBIsomorphismMapper_MapFirst,None,OBIsomorphismMapper) OBIsomorphismMapper.MapUnique = new_instancemethod(_openbabel.OBIsomorphismMapper_MapUnique,None,OBIsomorphismMapper) OBIsomorphismMapper.MapAll = new_instancemethod(_openbabel.OBIsomorphismMapper_MapAll,None,OBIsomorphismMapper) OBIsomorphismMapper.MapGeneric = new_instancemethod(_openbabel.OBIsomorphismMapper_MapGeneric,None,OBIsomorphismMapper) OBIsomorphismMapper.SetTimeout = new_instancemethod(_openbabel.OBIsomorphismMapper_SetTimeout,None,OBIsomorphismMapper) OBIsomorphismMapper_swigregister = _openbabel.OBIsomorphismMapper_swigregister OBIsomorphismMapper_swigregister(OBIsomorphismMapper) def OBIsomorphismMapper_GetInstance(*args): return _openbabel.OBIsomorphismMapper_GetInstance(*args) OBIsomorphismMapper_GetInstance = _openbabel.OBIsomorphismMapper_GetInstance def MapsTo(*args): return _openbabel.MapsTo(*args) MapsTo = _openbabel.MapsTo def FindAutomorphisms(*args): return _openbabel.FindAutomorphisms(*args) FindAutomorphisms = _openbabel.FindAutomorphisms class OBQueryAtom(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, atomicNum=6, isInRing=False, isAromatic=False): _openbabel.OBQueryAtom_swiginit(self,_openbabel.new_OBQueryAtom(atomicNum, isInRing, isAromatic)) __swig_destroy__ = _openbabel.delete_OBQueryAtom OBQueryAtom.GetIndex = new_instancemethod(_openbabel.OBQueryAtom_GetIndex,None,OBQueryAtom) OBQueryAtom.GetBonds = new_instancemethod(_openbabel.OBQueryAtom_GetBonds,None,OBQueryAtom) OBQueryAtom.GetNbrs = new_instancemethod(_openbabel.OBQueryAtom_GetNbrs,None,OBQueryAtom) OBQueryAtom.Matches = new_instancemethod(_openbabel.OBQueryAtom_Matches,None,OBQueryAtom) OBQueryAtom_swigregister = _openbabel.OBQueryAtom_swigregister OBQueryAtom_swigregister(OBQueryAtom) class OBQueryBond(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.OBQueryBond_swiginit(self,_openbabel.new_OBQueryBond(*args)) __swig_destroy__ = _openbabel.delete_OBQueryBond OBQueryBond.GetIndex = new_instancemethod(_openbabel.OBQueryBond_GetIndex,None,OBQueryBond) OBQueryBond.GetBeginAtom = new_instancemethod(_openbabel.OBQueryBond_GetBeginAtom,None,OBQueryBond) OBQueryBond.GetEndAtom = new_instancemethod(_openbabel.OBQueryBond_GetEndAtom,None,OBQueryBond) OBQueryBond.Matches = new_instancemethod(_openbabel.OBQueryBond_Matches,None,OBQueryBond) OBQueryBond_swigregister = _openbabel.OBQueryBond_swigregister OBQueryBond_swigregister(OBQueryBond) class OBQuery(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_OBQuery def __init__(self): _openbabel.OBQuery_swiginit(self,_openbabel.new_OBQuery()) OBQuery.NumAtoms = new_instancemethod(_openbabel.OBQuery_NumAtoms,None,OBQuery) OBQuery.NumBonds = new_instancemethod(_openbabel.OBQuery_NumBonds,None,OBQuery) OBQuery.GetAtoms = new_instancemethod(_openbabel.OBQuery_GetAtoms,None,OBQuery) OBQuery.GetBonds = new_instancemethod(_openbabel.OBQuery_GetBonds,None,OBQuery) OBQuery.GetBond = new_instancemethod(_openbabel.OBQuery_GetBond,None,OBQuery) OBQuery.AddAtom = new_instancemethod(_openbabel.OBQuery_AddAtom,None,OBQuery) OBQuery.AddBond = new_instancemethod(_openbabel.OBQuery_AddBond,None,OBQuery) OBQuery_swigregister = _openbabel.OBQuery_swigregister OBQuery_swigregister(OBQuery) def CompileMoleculeQuery(*args): return _openbabel.CompileMoleculeQuery(*args) CompileMoleculeQuery = _openbabel.CompileMoleculeQuery def CompileSmilesQuery(*args): return _openbabel.CompileSmilesQuery(*args) CompileSmilesQuery = _openbabel.CompileSmilesQuery def CanonicalLabels(*args): return _openbabel.CanonicalLabels(*args) CanonicalLabels = _openbabel.CanonicalLabels class OBStereo(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr CisTrans = _openbabel.OBStereo_CisTrans ExtendedCisTrans = _openbabel.OBStereo_ExtendedCisTrans SquarePlanar = _openbabel.OBStereo_SquarePlanar Tetrahedral = _openbabel.OBStereo_Tetrahedral ExtendedTetrahedral = _openbabel.OBStereo_ExtendedTetrahedral TrigonalBipyramidal = _openbabel.OBStereo_TrigonalBipyramidal Octahedral = _openbabel.OBStereo_Octahedral NotStereo = _openbabel.OBStereo_NotStereo UpBond = _openbabel.OBStereo_UpBond DownBond = _openbabel.OBStereo_DownBond UnknownDir = _openbabel.OBStereo_UnknownDir ShapeU = _openbabel.OBStereo_ShapeU ShapeZ = _openbabel.OBStereo_ShapeZ Shape4 = _openbabel.OBStereo_Shape4 ViewFrom = _openbabel.OBStereo_ViewFrom ViewTowards = _openbabel.OBStereo_ViewTowards Clockwise = _openbabel.OBStereo_Clockwise AntiClockwise = _openbabel.OBStereo_AntiClockwise UnknownWinding = _openbabel.OBStereo_UnknownWinding NoRef = _openbabel.OBStereo_NoRef ImplicitRef = _openbabel.OBStereo_ImplicitRef MakeRefs = staticmethod(_openbabel.OBStereo_MakeRefs) ContainsSameRefs = staticmethod(_openbabel.OBStereo_ContainsSameRefs) ContainsRef = staticmethod(_openbabel.OBStereo_ContainsRef) NumInversions = staticmethod(_openbabel.OBStereo_NumInversions) Permutate = staticmethod(_openbabel.OBStereo_Permutate) Permutated = staticmethod(_openbabel.OBStereo_Permutated) def __init__(self): _openbabel.OBStereo_swiginit(self,_openbabel.new_OBStereo()) __swig_destroy__ = _openbabel.delete_OBStereo OBStereo_swigregister = _openbabel.OBStereo_swigregister OBStereo_swigregister(OBStereo) def OBStereo_MakeRefs(*args): return _openbabel.OBStereo_MakeRefs(*args) OBStereo_MakeRefs = _openbabel.OBStereo_MakeRefs def OBStereo_ContainsSameRefs(*args): return _openbabel.OBStereo_ContainsSameRefs(*args) OBStereo_ContainsSameRefs = _openbabel.OBStereo_ContainsSameRefs def OBStereo_ContainsRef(*args): return _openbabel.OBStereo_ContainsRef(*args) OBStereo_ContainsRef = _openbabel.OBStereo_ContainsRef def OBStereo_NumInversions(*args): return _openbabel.OBStereo_NumInversions(*args) OBStereo_NumInversions = _openbabel.OBStereo_NumInversions def OBStereo_Permutate(*args): return _openbabel.OBStereo_Permutate(*args) OBStereo_Permutate = _openbabel.OBStereo_Permutate def OBStereo_Permutated(*args): return _openbabel.OBStereo_Permutated(*args) OBStereo_Permutated = _openbabel.OBStereo_Permutated class OBStereoUnit(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.OBStereoUnit_swiginit(self,_openbabel.new_OBStereoUnit(*args)) type = _swig_property(_openbabel.OBStereoUnit_type_get, _openbabel.OBStereoUnit_type_set) id = _swig_property(_openbabel.OBStereoUnit_id_get, _openbabel.OBStereoUnit_id_set) para = _swig_property(_openbabel.OBStereoUnit_para_get, _openbabel.OBStereoUnit_para_set) __swig_destroy__ = _openbabel.delete_OBStereoUnit OBStereoUnit_swigregister = _openbabel.OBStereoUnit_swigregister OBStereoUnit_swigregister(OBStereoUnit) class OBStereoBase(OBGenericData): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBStereoBase OBStereoBase.GetMolecule = new_instancemethod(_openbabel.OBStereoBase_GetMolecule,None,OBStereoBase) OBStereoBase.GetType = new_instancemethod(_openbabel.OBStereoBase_GetType,None,OBStereoBase) OBStereoBase.SetSpecified = new_instancemethod(_openbabel.OBStereoBase_SetSpecified,None,OBStereoBase) OBStereoBase.IsSpecified = new_instancemethod(_openbabel.OBStereoBase_IsSpecified,None,OBStereoBase) OBStereoBase_swigregister = _openbabel.OBStereoBase_swigregister OBStereoBase_swigregister(OBStereoBase) class OBStereoFacade(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.OBStereoFacade_swiginit(self,_openbabel.new_OBStereoFacade(*args)) __swig_destroy__ = _openbabel.delete_OBStereoFacade OBStereoFacade.NumTetrahedralStereo = new_instancemethod(_openbabel.OBStereoFacade_NumTetrahedralStereo,None,OBStereoFacade) OBStereoFacade.HasTetrahedralStereo = new_instancemethod(_openbabel.OBStereoFacade_HasTetrahedralStereo,None,OBStereoFacade) OBStereoFacade.GetTetrahedralStereo = new_instancemethod(_openbabel.OBStereoFacade_GetTetrahedralStereo,None,OBStereoFacade) OBStereoFacade.NumCisTransStereo = new_instancemethod(_openbabel.OBStereoFacade_NumCisTransStereo,None,OBStereoFacade) OBStereoFacade.HasCisTransStereo = new_instancemethod(_openbabel.OBStereoFacade_HasCisTransStereo,None,OBStereoFacade) OBStereoFacade.GetCisTransStereo = new_instancemethod(_openbabel.OBStereoFacade_GetCisTransStereo,None,OBStereoFacade) OBStereoFacade.NumSquarePlanarStereo = new_instancemethod(_openbabel.OBStereoFacade_NumSquarePlanarStereo,None,OBStereoFacade) OBStereoFacade.HasSquarePlanarStereo = new_instancemethod(_openbabel.OBStereoFacade_HasSquarePlanarStereo,None,OBStereoFacade) OBStereoFacade.GetSquarePlanarStereo = new_instancemethod(_openbabel.OBStereoFacade_GetSquarePlanarStereo,None,OBStereoFacade) OBStereoFacade_swigregister = _openbabel.OBStereoFacade_swigregister OBStereoFacade_swigregister(OBStereoFacade) def PerceiveStereo(*args): return _openbabel.PerceiveStereo(*args) PerceiveStereo = _openbabel.PerceiveStereo def StereoFrom2D(*args): return _openbabel.StereoFrom2D(*args) StereoFrom2D = _openbabel.StereoFrom2D def StereoFrom3D(*args): return _openbabel.StereoFrom3D(*args) StereoFrom3D = _openbabel.StereoFrom3D def StereoFrom0D(*args): return _openbabel.StereoFrom0D(*args) StereoFrom0D = _openbabel.StereoFrom0D def TetrahedralFrom3D(*args): return _openbabel.TetrahedralFrom3D(*args) TetrahedralFrom3D = _openbabel.TetrahedralFrom3D def TetrahedralFrom2D(*args): return _openbabel.TetrahedralFrom2D(*args) TetrahedralFrom2D = _openbabel.TetrahedralFrom2D def TetrahedralFrom0D(*args): return _openbabel.TetrahedralFrom0D(*args) TetrahedralFrom0D = _openbabel.TetrahedralFrom0D def CisTransFrom3D(*args): return _openbabel.CisTransFrom3D(*args) CisTransFrom3D = _openbabel.CisTransFrom3D def CisTransFrom2D(*args): return _openbabel.CisTransFrom2D(*args) CisTransFrom2D = _openbabel.CisTransFrom2D def TetStereoToWedgeHash(*args): return _openbabel.TetStereoToWedgeHash(*args) TetStereoToWedgeHash = _openbabel.TetStereoToWedgeHash def GetUnspecifiedCisTrans(*args): return _openbabel.GetUnspecifiedCisTrans(*args) GetUnspecifiedCisTrans = _openbabel.GetUnspecifiedCisTrans def StereoRefToImplicit(*args): return _openbabel.StereoRefToImplicit(*args) StereoRefToImplicit = _openbabel.StereoRefToImplicit def CisTransFrom0D(*args): return _openbabel.CisTransFrom0D(*args) CisTransFrom0D = _openbabel.CisTransFrom0D def FindStereogenicUnits(*args): return _openbabel.FindStereogenicUnits(*args) FindStereogenicUnits = _openbabel.FindStereogenicUnits SETWORD = _openbabel.SETWORD WORDROLL = _openbabel.WORDROLL WORDMASK = _openbabel.WORDMASK STARTWORDS = _openbabel.STARTWORDS class OBBitVec(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.OBBitVec_swiginit(self,_openbabel.new_OBBitVec(*args)) __swig_destroy__ = _openbabel.delete_OBBitVec OBBitVec.SetBitOn = new_instancemethod(_openbabel.OBBitVec_SetBitOn,None,OBBitVec) OBBitVec.SetBitOff = new_instancemethod(_openbabel.OBBitVec_SetBitOff,None,OBBitVec) OBBitVec.SetRangeOn = new_instancemethod(_openbabel.OBBitVec_SetRangeOn,None,OBBitVec) OBBitVec.SetRangeOff = new_instancemethod(_openbabel.OBBitVec_SetRangeOff,None,OBBitVec) OBBitVec.Fold = new_instancemethod(_openbabel.OBBitVec_Fold,None,OBBitVec) OBBitVec.FirstBit = new_instancemethod(_openbabel.OBBitVec_FirstBit,None,OBBitVec) OBBitVec.NextBit = new_instancemethod(_openbabel.OBBitVec_NextBit,None,OBBitVec) OBBitVec.EndBit = new_instancemethod(_openbabel.OBBitVec_EndBit,None,OBBitVec) OBBitVec.GetSize = new_instancemethod(_openbabel.OBBitVec_GetSize,None,OBBitVec) OBBitVec.CountBits = new_instancemethod(_openbabel.OBBitVec_CountBits,None,OBBitVec) OBBitVec.Empty = new_instancemethod(_openbabel.OBBitVec_Empty,None,OBBitVec) OBBitVec.IsEmpty = new_instancemethod(_openbabel.OBBitVec_IsEmpty,None,OBBitVec) OBBitVec.Resize = new_instancemethod(_openbabel.OBBitVec_Resize,None,OBBitVec) OBBitVec.ResizeWords = new_instancemethod(_openbabel.OBBitVec_ResizeWords,None,OBBitVec) OBBitVec.BitIsSet = new_instancemethod(_openbabel.OBBitVec_BitIsSet,None,OBBitVec) OBBitVec.BitIsOn = new_instancemethod(_openbabel.OBBitVec_BitIsOn,None,OBBitVec) OBBitVec.FromVecInt = new_instancemethod(_openbabel.OBBitVec_FromVecInt,None,OBBitVec) OBBitVec.FromString = new_instancemethod(_openbabel.OBBitVec_FromString,None,OBBitVec) OBBitVec.ToVecInt = new_instancemethod(_openbabel.OBBitVec_ToVecInt,None,OBBitVec) OBBitVec.Clear = new_instancemethod(_openbabel.OBBitVec_Clear,None,OBBitVec) OBBitVec.Negate = new_instancemethod(_openbabel.OBBitVec_Negate,None,OBBitVec) OBBitVec.GetWords = new_instancemethod(_openbabel.OBBitVec_GetWords,None,OBBitVec) OBBitVec.__iand__ = new_instancemethod(_openbabel.OBBitVec___iand__,None,OBBitVec) OBBitVec.__ior__ = new_instancemethod(_openbabel.OBBitVec___ior__,None,OBBitVec) OBBitVec.__ixor__ = new_instancemethod(_openbabel.OBBitVec___ixor__,None,OBBitVec) OBBitVec.__isub__ = new_instancemethod(_openbabel.OBBitVec___isub__,None,OBBitVec) OBBitVec.__iadd__ = new_instancemethod(_openbabel.OBBitVec___iadd__,None,OBBitVec) OBBitVec_swigregister = _openbabel.OBBitVec_swigregister OBBitVec_swigregister(OBBitVec) def Tanimoto(*args): return _openbabel.Tanimoto(*args) Tanimoto = _openbabel.Tanimoto class OBRotorRule(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.OBRotorRule_swiginit(self,_openbabel.new_OBRotorRule(*args)) __swig_destroy__ = _openbabel.delete_OBRotorRule OBRotorRule.IsValid = new_instancemethod(_openbabel.OBRotorRule_IsValid,None,OBRotorRule) OBRotorRule.GetReferenceAtoms = new_instancemethod(_openbabel.OBRotorRule_GetReferenceAtoms,None,OBRotorRule) OBRotorRule.SetDelta = new_instancemethod(_openbabel.OBRotorRule_SetDelta,None,OBRotorRule) OBRotorRule.GetDelta = new_instancemethod(_openbabel.OBRotorRule_GetDelta,None,OBRotorRule) OBRotorRule.GetTorsionVals = new_instancemethod(_openbabel.OBRotorRule_GetTorsionVals,None,OBRotorRule) OBRotorRule.GetSmartsString = new_instancemethod(_openbabel.OBRotorRule_GetSmartsString,None,OBRotorRule) OBRotorRule.GetSmartsPattern = new_instancemethod(_openbabel.OBRotorRule_GetSmartsPattern,None,OBRotorRule) OBRotorRule_swigregister = _openbabel.OBRotorRule_swigregister OBRotorRule_swigregister(OBRotorRule) class OBRotorRules(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): _openbabel.OBRotorRules_swiginit(self,_openbabel.new_OBRotorRules()) __swig_destroy__ = _openbabel.delete_OBRotorRules OBRotorRules.SetFilename = new_instancemethod(_openbabel.OBRotorRules_SetFilename,None,OBRotorRules) OBRotorRules.GetRotorIncrements = new_instancemethod(_openbabel.OBRotorRules_GetRotorIncrements,None,OBRotorRules) OBRotorRules.Quiet = new_instancemethod(_openbabel.OBRotorRules_Quiet,None,OBRotorRules) OBRotorRules_swigregister = _openbabel.OBRotorRules_swigregister OBRotorRules_swigregister(OBRotorRules) class OBRotor(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): _openbabel.OBRotor_swiginit(self,_openbabel.new_OBRotor()) __swig_destroy__ = _openbabel.delete_OBRotor OBRotor.SetBond = new_instancemethod(_openbabel.OBRotor_SetBond,None,OBRotor) OBRotor.SetIdx = new_instancemethod(_openbabel.OBRotor_SetIdx,None,OBRotor) OBRotor.SetDihedralAtoms = new_instancemethod(_openbabel.OBRotor_SetDihedralAtoms,None,OBRotor) OBRotor.SetRotAtoms = new_instancemethod(_openbabel.OBRotor_SetRotAtoms,None,OBRotor) OBRotor.SetTorsionValues = new_instancemethod(_openbabel.OBRotor_SetTorsionValues,None,OBRotor) OBRotor.SetFixedBonds = new_instancemethod(_openbabel.OBRotor_SetFixedBonds,None,OBRotor) OBRotor.SetToAngle = new_instancemethod(_openbabel.OBRotor_SetToAngle,None,OBRotor) OBRotor.SetRotor = new_instancemethod(_openbabel.OBRotor_SetRotor,None,OBRotor) OBRotor.Precompute = new_instancemethod(_openbabel.OBRotor_Precompute,None,OBRotor) OBRotor.Precalc = new_instancemethod(_openbabel.OBRotor_Precalc,None,OBRotor) OBRotor.Set = new_instancemethod(_openbabel.OBRotor_Set,None,OBRotor) OBRotor.GetBond = new_instancemethod(_openbabel.OBRotor_GetBond,None,OBRotor) OBRotor.Size = new_instancemethod(_openbabel.OBRotor_Size,None,OBRotor) OBRotor.GetIdx = new_instancemethod(_openbabel.OBRotor_GetIdx,None,OBRotor) OBRotor.GetDihedralAtoms = new_instancemethod(_openbabel.OBRotor_GetDihedralAtoms,None,OBRotor) OBRotor.GetTorsionValues = new_instancemethod(_openbabel.OBRotor_GetTorsionValues,None,OBRotor) OBRotor.GetFixedBonds = new_instancemethod(_openbabel.OBRotor_GetFixedBonds,None,OBRotor) OBRotor.CalcTorsion = new_instancemethod(_openbabel.OBRotor_CalcTorsion,None,OBRotor) OBRotor.CalcBondLength = new_instancemethod(_openbabel.OBRotor_CalcBondLength,None,OBRotor) OBRotor.BeginTorIncrement = new_instancemethod(_openbabel.OBRotor_BeginTorIncrement,None,OBRotor) OBRotor.EndTorIncrement = new_instancemethod(_openbabel.OBRotor_EndTorIncrement,None,OBRotor) OBRotor.RemoveSymTorsionValues = new_instancemethod(_openbabel.OBRotor_RemoveSymTorsionValues,None,OBRotor) OBRotor.SetDelta = new_instancemethod(_openbabel.OBRotor_SetDelta,None,OBRotor) OBRotor.GetDelta = new_instancemethod(_openbabel.OBRotor_GetDelta,None,OBRotor) OBRotor.GetFixedAtoms = new_instancemethod(_openbabel.OBRotor_GetFixedAtoms,None,OBRotor) OBRotor.SetFixedAtoms = new_instancemethod(_openbabel.OBRotor_SetFixedAtoms,None,OBRotor) OBRotor.GetEvalAtoms = new_instancemethod(_openbabel.OBRotor_GetEvalAtoms,None,OBRotor) OBRotor.SetEvalAtoms = new_instancemethod(_openbabel.OBRotor_SetEvalAtoms,None,OBRotor) OBRotor.GetRotAtoms = new_instancemethod(_openbabel.OBRotor_GetRotAtoms,None,OBRotor) OBRotor.GetResolution = new_instancemethod(_openbabel.OBRotor_GetResolution,None,OBRotor) OBRotor.SetNumCoords = new_instancemethod(_openbabel.OBRotor_SetNumCoords,None,OBRotor) OBRotor_swigregister = _openbabel.OBRotor_swigregister OBRotor_swigregister(OBRotor) class OBRotorList(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): _openbabel.OBRotorList_swiginit(self,_openbabel.new_OBRotorList()) __swig_destroy__ = _openbabel.delete_OBRotorList OBRotorList.Clear = new_instancemethod(_openbabel.OBRotorList_Clear,None,OBRotorList) OBRotorList.Size = new_instancemethod(_openbabel.OBRotorList_Size,None,OBRotorList) OBRotorList.IsFixedBond = new_instancemethod(_openbabel.OBRotorList_IsFixedBond,None,OBRotorList) OBRotorList.HasFixedBonds = new_instancemethod(_openbabel.OBRotorList_HasFixedBonds,None,OBRotorList) OBRotorList.RemoveSymVals = new_instancemethod(_openbabel.OBRotorList_RemoveSymVals,None,OBRotorList) OBRotorList.Setup = new_instancemethod(_openbabel.OBRotorList_Setup,None,OBRotorList) OBRotorList.SetFixedBonds = new_instancemethod(_openbabel.OBRotorList_SetFixedBonds,None,OBRotorList) OBRotorList.Init = new_instancemethod(_openbabel.OBRotorList_Init,None,OBRotorList) OBRotorList.SetQuiet = new_instancemethod(_openbabel.OBRotorList_SetQuiet,None,OBRotorList) OBRotorList.SetRotAtoms = new_instancemethod(_openbabel.OBRotorList_SetRotAtoms,None,OBRotorList) OBRotorList.FindRotors = new_instancemethod(_openbabel.OBRotorList_FindRotors,None,OBRotorList) OBRotorList.SetEvalAtoms = new_instancemethod(_openbabel.OBRotorList_SetEvalAtoms,None,OBRotorList) OBRotorList.AssignTorVals = new_instancemethod(_openbabel.OBRotorList_AssignTorVals,None,OBRotorList) OBRotorList.BeginRotor = new_instancemethod(_openbabel.OBRotorList_BeginRotor,None,OBRotorList) OBRotorList.NextRotor = new_instancemethod(_openbabel.OBRotorList_NextRotor,None,OBRotorList) OBRotorList.BeginRotors = new_instancemethod(_openbabel.OBRotorList_BeginRotors,None,OBRotorList) OBRotorList.EndRotors = new_instancemethod(_openbabel.OBRotorList_EndRotors,None,OBRotorList) OBRotorList.IdentifyEvalAtoms = new_instancemethod(_openbabel.OBRotorList_IdentifyEvalAtoms,None,OBRotorList) OBRotorList.SetFixAtoms = new_instancemethod(_openbabel.OBRotorList_SetFixAtoms,None,OBRotorList) OBRotorList.HasFixedAtoms = new_instancemethod(_openbabel.OBRotorList_HasFixedAtoms,None,OBRotorList) OBRotorList.IgnoreSymmetryRemoval = new_instancemethod(_openbabel.OBRotorList_IgnoreSymmetryRemoval,None,OBRotorList) OBRotorList.SetRotAtomsByFix = new_instancemethod(_openbabel.OBRotorList_SetRotAtomsByFix,None,OBRotorList) OBRotorList_swigregister = _openbabel.OBRotorList_swigregister OBRotorList_swigregister(OBRotorList) class rotor_digit(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.rotor_digit_swiginit(self,_openbabel.new_rotor_digit(*args)) __swig_destroy__ = _openbabel.delete_rotor_digit rotor_digit.set_size = new_instancemethod(_openbabel.rotor_digit_set_size,None,rotor_digit) rotor_digit.set_state = new_instancemethod(_openbabel.rotor_digit_set_state,None,rotor_digit) rotor_digit.get_state = new_instancemethod(_openbabel.rotor_digit_get_state,None,rotor_digit) rotor_digit.size = new_instancemethod(_openbabel.rotor_digit_size,None,rotor_digit) rotor_digit.next = new_instancemethod(_openbabel.rotor_digit_next,None,rotor_digit) rotor_digit_swigregister = _openbabel.rotor_digit_swigregister rotor_digit_swigregister(rotor_digit) class OBRotorKeys(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): _openbabel.OBRotorKeys_swiginit(self,_openbabel.new_OBRotorKeys()) __swig_destroy__ = _openbabel.delete_OBRotorKeys OBRotorKeys.Clear = new_instancemethod(_openbabel.OBRotorKeys_Clear,None,OBRotorKeys) OBRotorKeys.NumKeys = new_instancemethod(_openbabel.OBRotorKeys_NumKeys,None,OBRotorKeys) OBRotorKeys.AddRotor = new_instancemethod(_openbabel.OBRotorKeys_AddRotor,None,OBRotorKeys) OBRotorKeys.Next = new_instancemethod(_openbabel.OBRotorKeys_Next,None,OBRotorKeys) OBRotorKeys.GetKey = new_instancemethod(_openbabel.OBRotorKeys_GetKey,None,OBRotorKeys) OBRotorKeys_swigregister = _openbabel.OBRotorKeys_swigregister OBRotorKeys_swigregister(OBRotorKeys) class OBRotamerList(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): _openbabel.OBRotamerList_swiginit(self,_openbabel.new_OBRotamerList()) __swig_destroy__ = _openbabel.delete_OBRotamerList OBRotamerList.Setup = new_instancemethod(_openbabel.OBRotamerList_Setup,None,OBRotamerList) OBRotamerList.NumRotors = new_instancemethod(_openbabel.OBRotamerList_NumRotors,None,OBRotamerList) OBRotamerList.NumRotamers = new_instancemethod(_openbabel.OBRotamerList_NumRotamers,None,OBRotamerList) OBRotamerList.AddRotamer = new_instancemethod(_openbabel.OBRotamerList_AddRotamer,None,OBRotamerList) OBRotamerList.AddRotamers = new_instancemethod(_openbabel.OBRotamerList_AddRotamers,None,OBRotamerList) OBRotamerList.GetReferenceArray = new_instancemethod(_openbabel.OBRotamerList_GetReferenceArray,None,OBRotamerList) OBRotamerList.BeginRotamer = new_instancemethod(_openbabel.OBRotamerList_BeginRotamer,None,OBRotamerList) OBRotamerList.EndRotamer = new_instancemethod(_openbabel.OBRotamerList_EndRotamer,None,OBRotamerList) OBRotamerList.CreateConformerList = new_instancemethod(_openbabel.OBRotamerList_CreateConformerList,None,OBRotamerList) OBRotamerList.ExpandConformerList = new_instancemethod(_openbabel.OBRotamerList_ExpandConformerList,None,OBRotamerList) OBRotamerList.SetCurrentCoordinates = new_instancemethod(_openbabel.OBRotamerList_SetCurrentCoordinates,None,OBRotamerList) OBRotamerList.SetBaseCoordinateSets = new_instancemethod(_openbabel.OBRotamerList_SetBaseCoordinateSets,None,OBRotamerList) OBRotamerList.NumBaseCoordinateSets = new_instancemethod(_openbabel.OBRotamerList_NumBaseCoordinateSets,None,OBRotamerList) OBRotamerList.GetBaseCoordinateSet = new_instancemethod(_openbabel.OBRotamerList_GetBaseCoordinateSet,None,OBRotamerList) OBRotamerList.NumAtoms = new_instancemethod(_openbabel.OBRotamerList_NumAtoms,None,OBRotamerList) OBRotamerList_swigregister = _openbabel.OBRotamerList_swigregister OBRotamerList_swigregister(OBRotamerList) N_PROPERTIES = _openbabel.N_PROPERTIES class OBSpectrophore(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr AngStepSize1 = _openbabel.OBSpectrophore_AngStepSize1 AngStepSize2 = _openbabel.OBSpectrophore_AngStepSize2 AngStepSize5 = _openbabel.OBSpectrophore_AngStepSize5 AngStepSize10 = _openbabel.OBSpectrophore_AngStepSize10 AngStepSize15 = _openbabel.OBSpectrophore_AngStepSize15 AngStepSize20 = _openbabel.OBSpectrophore_AngStepSize20 AngStepSize30 = _openbabel.OBSpectrophore_AngStepSize30 AngStepSize36 = _openbabel.OBSpectrophore_AngStepSize36 AngStepSize45 = _openbabel.OBSpectrophore_AngStepSize45 AngStepSize60 = _openbabel.OBSpectrophore_AngStepSize60 NoNormalization = _openbabel.OBSpectrophore_NoNormalization NormalizationTowardsZeroMean = _openbabel.OBSpectrophore_NormalizationTowardsZeroMean NormalizationTowardsUnitStd = _openbabel.OBSpectrophore_NormalizationTowardsUnitStd NormalizationTowardsZeroMeanAndUnitStd = _openbabel.OBSpectrophore_NormalizationTowardsZeroMeanAndUnitStd NoStereoSpecificProbes = _openbabel.OBSpectrophore_NoStereoSpecificProbes UniqueStereoSpecificProbes = _openbabel.OBSpectrophore_UniqueStereoSpecificProbes MirrorStereoSpecificProbes = _openbabel.OBSpectrophore_MirrorStereoSpecificProbes AllStereoSpecificProbes = _openbabel.OBSpectrophore_AllStereoSpecificProbes def __init__(self, *args): _openbabel.OBSpectrophore_swiginit(self,_openbabel.new_OBSpectrophore(*args)) __swig_destroy__ = _openbabel.delete_OBSpectrophore OBSpectrophore.SetResolution = new_instancemethod(_openbabel.OBSpectrophore_SetResolution,None,OBSpectrophore) OBSpectrophore.SetAccuracy = new_instancemethod(_openbabel.OBSpectrophore_SetAccuracy,None,OBSpectrophore) OBSpectrophore.SetStereo = new_instancemethod(_openbabel.OBSpectrophore_SetStereo,None,OBSpectrophore) OBSpectrophore.SetNormalization = new_instancemethod(_openbabel.OBSpectrophore_SetNormalization,None,OBSpectrophore) OBSpectrophore.GetAccuracy = new_instancemethod(_openbabel.OBSpectrophore_GetAccuracy,None,OBSpectrophore) OBSpectrophore.GetResolution = new_instancemethod(_openbabel.OBSpectrophore_GetResolution,None,OBSpectrophore) OBSpectrophore.GetStereo = new_instancemethod(_openbabel.OBSpectrophore_GetStereo,None,OBSpectrophore) OBSpectrophore.GetNormalization = new_instancemethod(_openbabel.OBSpectrophore_GetNormalization,None,OBSpectrophore) OBSpectrophore.GetSpectrophore = new_instancemethod(_openbabel.OBSpectrophore_GetSpectrophore,None,OBSpectrophore) OBSpectrophore_swigregister = _openbabel.OBSpectrophore_swigregister OBSpectrophore_swigregister(OBSpectrophore) 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)) __swig_destroy__ = _openbabel.delete__OBMolAtomIter def __nonzero__(self): return _openbabel._OBMolAtomIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBMolAtomIter_Visit_get, _openbabel._OBMolAtomIter_Visit_set) _OBMolAtomIter.inc = new_instancemethod(_openbabel._OBMolAtomIter_inc,None,_OBMolAtomIter) _OBMolAtomIter.__deref__ = new_instancemethod(_openbabel._OBMolAtomIter___deref__,None,_OBMolAtomIter) _OBMolAtomIter.__ref__ = new_instancemethod(_openbabel._OBMolAtomIter___ref__,None,_OBMolAtomIter) _OBMolAtomIter.__eq__ = new_instancemethod(_openbabel._OBMolAtomIter___eq__,None,_OBMolAtomIter) _OBMolAtomIter.Duplicate = new_instancemethod(_openbabel._OBMolAtomIter_Duplicate,None,_OBMolAtomIter) _OBMolAtomIter.SetIdx = new_instancemethod(_openbabel._OBMolAtomIter_SetIdx,None,_OBMolAtomIter) _OBMolAtomIter.SetId = new_instancemethod(_openbabel._OBMolAtomIter_SetId,None,_OBMolAtomIter) _OBMolAtomIter.SetHyb = new_instancemethod(_openbabel._OBMolAtomIter_SetHyb,None,_OBMolAtomIter) _OBMolAtomIter.SetAtomicNum = new_instancemethod(_openbabel._OBMolAtomIter_SetAtomicNum,None,_OBMolAtomIter) _OBMolAtomIter.SetIsotope = new_instancemethod(_openbabel._OBMolAtomIter_SetIsotope,None,_OBMolAtomIter) _OBMolAtomIter.SetImplicitValence = new_instancemethod(_openbabel._OBMolAtomIter_SetImplicitValence,None,_OBMolAtomIter) _OBMolAtomIter.IncrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomIter_IncrementImplicitValence,None,_OBMolAtomIter) _OBMolAtomIter.DecrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomIter_DecrementImplicitValence,None,_OBMolAtomIter) _OBMolAtomIter.SetFormalCharge = new_instancemethod(_openbabel._OBMolAtomIter_SetFormalCharge,None,_OBMolAtomIter) _OBMolAtomIter.SetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomIter_SetSpinMultiplicity,None,_OBMolAtomIter) _OBMolAtomIter.SetType = new_instancemethod(_openbabel._OBMolAtomIter_SetType,None,_OBMolAtomIter) _OBMolAtomIter.SetPartialCharge = new_instancemethod(_openbabel._OBMolAtomIter_SetPartialCharge,None,_OBMolAtomIter) _OBMolAtomIter.SetVector = new_instancemethod(_openbabel._OBMolAtomIter_SetVector,None,_OBMolAtomIter) _OBMolAtomIter.SetCoordPtr = new_instancemethod(_openbabel._OBMolAtomIter_SetCoordPtr,None,_OBMolAtomIter) _OBMolAtomIter.SetResidue = new_instancemethod(_openbabel._OBMolAtomIter_SetResidue,None,_OBMolAtomIter) _OBMolAtomIter.SetParent = new_instancemethod(_openbabel._OBMolAtomIter_SetParent,None,_OBMolAtomIter) _OBMolAtomIter.SetAromatic = new_instancemethod(_openbabel._OBMolAtomIter_SetAromatic,None,_OBMolAtomIter) _OBMolAtomIter.UnsetAromatic = new_instancemethod(_openbabel._OBMolAtomIter_UnsetAromatic,None,_OBMolAtomIter) _OBMolAtomIter.SetClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomIter_SetClockwiseStereo,None,_OBMolAtomIter) _OBMolAtomIter.SetAntiClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomIter_SetAntiClockwiseStereo,None,_OBMolAtomIter) _OBMolAtomIter.SetPositiveStereo = new_instancemethod(_openbabel._OBMolAtomIter_SetPositiveStereo,None,_OBMolAtomIter) _OBMolAtomIter.SetNegativeStereo = new_instancemethod(_openbabel._OBMolAtomIter_SetNegativeStereo,None,_OBMolAtomIter) _OBMolAtomIter.UnsetStereo = new_instancemethod(_openbabel._OBMolAtomIter_UnsetStereo,None,_OBMolAtomIter) _OBMolAtomIter.SetInRing = new_instancemethod(_openbabel._OBMolAtomIter_SetInRing,None,_OBMolAtomIter) _OBMolAtomIter.SetChiral = new_instancemethod(_openbabel._OBMolAtomIter_SetChiral,None,_OBMolAtomIter) _OBMolAtomIter.ClearCoordPtr = new_instancemethod(_openbabel._OBMolAtomIter_ClearCoordPtr,None,_OBMolAtomIter) _OBMolAtomIter.GetFormalCharge = new_instancemethod(_openbabel._OBMolAtomIter_GetFormalCharge,None,_OBMolAtomIter) _OBMolAtomIter.GetAtomicNum = new_instancemethod(_openbabel._OBMolAtomIter_GetAtomicNum,None,_OBMolAtomIter) _OBMolAtomIter.GetIsotope = new_instancemethod(_openbabel._OBMolAtomIter_GetIsotope,None,_OBMolAtomIter) _OBMolAtomIter.GetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomIter_GetSpinMultiplicity,None,_OBMolAtomIter) _OBMolAtomIter.GetAtomicMass = new_instancemethod(_openbabel._OBMolAtomIter_GetAtomicMass,None,_OBMolAtomIter) _OBMolAtomIter.GetExactMass = new_instancemethod(_openbabel._OBMolAtomIter_GetExactMass,None,_OBMolAtomIter) _OBMolAtomIter.GetIdx = new_instancemethod(_openbabel._OBMolAtomIter_GetIdx,None,_OBMolAtomIter) _OBMolAtomIter.GetIndex = new_instancemethod(_openbabel._OBMolAtomIter_GetIndex,None,_OBMolAtomIter) _OBMolAtomIter.GetId = new_instancemethod(_openbabel._OBMolAtomIter_GetId,None,_OBMolAtomIter) _OBMolAtomIter.GetCoordinateIdx = new_instancemethod(_openbabel._OBMolAtomIter_GetCoordinateIdx,None,_OBMolAtomIter) _OBMolAtomIter.GetCIdx = new_instancemethod(_openbabel._OBMolAtomIter_GetCIdx,None,_OBMolAtomIter) _OBMolAtomIter.GetValence = new_instancemethod(_openbabel._OBMolAtomIter_GetValence,None,_OBMolAtomIter) _OBMolAtomIter.GetHyb = new_instancemethod(_openbabel._OBMolAtomIter_GetHyb,None,_OBMolAtomIter) _OBMolAtomIter.GetImplicitValence = new_instancemethod(_openbabel._OBMolAtomIter_GetImplicitValence,None,_OBMolAtomIter) _OBMolAtomIter.GetHvyValence = new_instancemethod(_openbabel._OBMolAtomIter_GetHvyValence,None,_OBMolAtomIter) _OBMolAtomIter.GetHeteroValence = new_instancemethod(_openbabel._OBMolAtomIter_GetHeteroValence,None,_OBMolAtomIter) _OBMolAtomIter.GetType = new_instancemethod(_openbabel._OBMolAtomIter_GetType,None,_OBMolAtomIter) _OBMolAtomIter.GetX = new_instancemethod(_openbabel._OBMolAtomIter_GetX,None,_OBMolAtomIter) _OBMolAtomIter.GetY = new_instancemethod(_openbabel._OBMolAtomIter_GetY,None,_OBMolAtomIter) _OBMolAtomIter.GetZ = new_instancemethod(_openbabel._OBMolAtomIter_GetZ,None,_OBMolAtomIter) _OBMolAtomIter.x = new_instancemethod(_openbabel._OBMolAtomIter_x,None,_OBMolAtomIter) _OBMolAtomIter.y = new_instancemethod(_openbabel._OBMolAtomIter_y,None,_OBMolAtomIter) _OBMolAtomIter.z = new_instancemethod(_openbabel._OBMolAtomIter_z,None,_OBMolAtomIter) _OBMolAtomIter.GetCoordinate = new_instancemethod(_openbabel._OBMolAtomIter_GetCoordinate,None,_OBMolAtomIter) _OBMolAtomIter.GetVector = new_instancemethod(_openbabel._OBMolAtomIter_GetVector,None,_OBMolAtomIter) _OBMolAtomIter.GetPartialCharge = new_instancemethod(_openbabel._OBMolAtomIter_GetPartialCharge,None,_OBMolAtomIter) _OBMolAtomIter.GetResidue = new_instancemethod(_openbabel._OBMolAtomIter_GetResidue,None,_OBMolAtomIter) _OBMolAtomIter.GetParent = new_instancemethod(_openbabel._OBMolAtomIter_GetParent,None,_OBMolAtomIter) _OBMolAtomIter.GetNewBondVector = new_instancemethod(_openbabel._OBMolAtomIter_GetNewBondVector,None,_OBMolAtomIter) _OBMolAtomIter.GetBond = new_instancemethod(_openbabel._OBMolAtomIter_GetBond,None,_OBMolAtomIter) _OBMolAtomIter.GetNextAtom = new_instancemethod(_openbabel._OBMolAtomIter_GetNextAtom,None,_OBMolAtomIter) _OBMolAtomIter.BeginBonds = new_instancemethod(_openbabel._OBMolAtomIter_BeginBonds,None,_OBMolAtomIter) _OBMolAtomIter.EndBonds = new_instancemethod(_openbabel._OBMolAtomIter_EndBonds,None,_OBMolAtomIter) _OBMolAtomIter.BeginBond = new_instancemethod(_openbabel._OBMolAtomIter_BeginBond,None,_OBMolAtomIter) _OBMolAtomIter.NextBond = new_instancemethod(_openbabel._OBMolAtomIter_NextBond,None,_OBMolAtomIter) _OBMolAtomIter.BeginNbrAtom = new_instancemethod(_openbabel._OBMolAtomIter_BeginNbrAtom,None,_OBMolAtomIter) _OBMolAtomIter.NextNbrAtom = new_instancemethod(_openbabel._OBMolAtomIter_NextNbrAtom,None,_OBMolAtomIter) _OBMolAtomIter.GetDistance = new_instancemethod(_openbabel._OBMolAtomIter_GetDistance,None,_OBMolAtomIter) _OBMolAtomIter.GetAngle = new_instancemethod(_openbabel._OBMolAtomIter_GetAngle,None,_OBMolAtomIter) _OBMolAtomIter.NewResidue = new_instancemethod(_openbabel._OBMolAtomIter_NewResidue,None,_OBMolAtomIter) _OBMolAtomIter.AddResidue = new_instancemethod(_openbabel._OBMolAtomIter_AddResidue,None,_OBMolAtomIter) _OBMolAtomIter.DeleteResidue = new_instancemethod(_openbabel._OBMolAtomIter_DeleteResidue,None,_OBMolAtomIter) _OBMolAtomIter.AddBond = new_instancemethod(_openbabel._OBMolAtomIter_AddBond,None,_OBMolAtomIter) _OBMolAtomIter.InsertBond = new_instancemethod(_openbabel._OBMolAtomIter_InsertBond,None,_OBMolAtomIter) _OBMolAtomIter.DeleteBond = new_instancemethod(_openbabel._OBMolAtomIter_DeleteBond,None,_OBMolAtomIter) _OBMolAtomIter.ClearBond = new_instancemethod(_openbabel._OBMolAtomIter_ClearBond,None,_OBMolAtomIter) _OBMolAtomIter.HtoMethyl = new_instancemethod(_openbabel._OBMolAtomIter_HtoMethyl,None,_OBMolAtomIter) _OBMolAtomIter.SetHybAndGeom = new_instancemethod(_openbabel._OBMolAtomIter_SetHybAndGeom,None,_OBMolAtomIter) _OBMolAtomIter.ForceNoH = new_instancemethod(_openbabel._OBMolAtomIter_ForceNoH,None,_OBMolAtomIter) _OBMolAtomIter.HasNoHForced = new_instancemethod(_openbabel._OBMolAtomIter_HasNoHForced,None,_OBMolAtomIter) _OBMolAtomIter.ForceImplH = new_instancemethod(_openbabel._OBMolAtomIter_ForceImplH,None,_OBMolAtomIter) _OBMolAtomIter.HasImplHForced = new_instancemethod(_openbabel._OBMolAtomIter_HasImplHForced,None,_OBMolAtomIter) _OBMolAtomIter.CountFreeOxygens = new_instancemethod(_openbabel._OBMolAtomIter_CountFreeOxygens,None,_OBMolAtomIter) _OBMolAtomIter.ImplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomIter_ImplicitHydrogenCount,None,_OBMolAtomIter) _OBMolAtomIter.ExplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomIter_ExplicitHydrogenCount,None,_OBMolAtomIter) _OBMolAtomIter.MemberOfRingCount = new_instancemethod(_openbabel._OBMolAtomIter_MemberOfRingCount,None,_OBMolAtomIter) _OBMolAtomIter.MemberOfRingSize = new_instancemethod(_openbabel._OBMolAtomIter_MemberOfRingSize,None,_OBMolAtomIter) _OBMolAtomIter.CountRingBonds = new_instancemethod(_openbabel._OBMolAtomIter_CountRingBonds,None,_OBMolAtomIter) _OBMolAtomIter.SmallestBondAngle = new_instancemethod(_openbabel._OBMolAtomIter_SmallestBondAngle,None,_OBMolAtomIter) _OBMolAtomIter.AverageBondAngle = new_instancemethod(_openbabel._OBMolAtomIter_AverageBondAngle,None,_OBMolAtomIter) _OBMolAtomIter.BOSum = new_instancemethod(_openbabel._OBMolAtomIter_BOSum,None,_OBMolAtomIter) _OBMolAtomIter.KBOSum = new_instancemethod(_openbabel._OBMolAtomIter_KBOSum,None,_OBMolAtomIter) _OBMolAtomIter.HasResidue = new_instancemethod(_openbabel._OBMolAtomIter_HasResidue,None,_OBMolAtomIter) _OBMolAtomIter.IsHydrogen = new_instancemethod(_openbabel._OBMolAtomIter_IsHydrogen,None,_OBMolAtomIter) _OBMolAtomIter.IsCarbon = new_instancemethod(_openbabel._OBMolAtomIter_IsCarbon,None,_OBMolAtomIter) _OBMolAtomIter.IsNitrogen = new_instancemethod(_openbabel._OBMolAtomIter_IsNitrogen,None,_OBMolAtomIter) _OBMolAtomIter.IsOxygen = new_instancemethod(_openbabel._OBMolAtomIter_IsOxygen,None,_OBMolAtomIter) _OBMolAtomIter.IsSulfur = new_instancemethod(_openbabel._OBMolAtomIter_IsSulfur,None,_OBMolAtomIter) _OBMolAtomIter.IsPhosphorus = new_instancemethod(_openbabel._OBMolAtomIter_IsPhosphorus,None,_OBMolAtomIter) _OBMolAtomIter.IsAromatic = new_instancemethod(_openbabel._OBMolAtomIter_IsAromatic,None,_OBMolAtomIter) _OBMolAtomIter.IsInRing = new_instancemethod(_openbabel._OBMolAtomIter_IsInRing,None,_OBMolAtomIter) _OBMolAtomIter.IsInRingSize = new_instancemethod(_openbabel._OBMolAtomIter_IsInRingSize,None,_OBMolAtomIter) _OBMolAtomIter.IsHeteroatom = new_instancemethod(_openbabel._OBMolAtomIter_IsHeteroatom,None,_OBMolAtomIter) _OBMolAtomIter.IsNotCorH = new_instancemethod(_openbabel._OBMolAtomIter_IsNotCorH,None,_OBMolAtomIter) _OBMolAtomIter.IsConnected = new_instancemethod(_openbabel._OBMolAtomIter_IsConnected,None,_OBMolAtomIter) _OBMolAtomIter.IsOneThree = new_instancemethod(_openbabel._OBMolAtomIter_IsOneThree,None,_OBMolAtomIter) _OBMolAtomIter.IsOneFour = new_instancemethod(_openbabel._OBMolAtomIter_IsOneFour,None,_OBMolAtomIter) _OBMolAtomIter.IsCarboxylOxygen = new_instancemethod(_openbabel._OBMolAtomIter_IsCarboxylOxygen,None,_OBMolAtomIter) _OBMolAtomIter.IsPhosphateOxygen = new_instancemethod(_openbabel._OBMolAtomIter_IsPhosphateOxygen,None,_OBMolAtomIter) _OBMolAtomIter.IsSulfateOxygen = new_instancemethod(_openbabel._OBMolAtomIter_IsSulfateOxygen,None,_OBMolAtomIter) _OBMolAtomIter.IsNitroOxygen = new_instancemethod(_openbabel._OBMolAtomIter_IsNitroOxygen,None,_OBMolAtomIter) _OBMolAtomIter.IsAmideNitrogen = new_instancemethod(_openbabel._OBMolAtomIter_IsAmideNitrogen,None,_OBMolAtomIter) _OBMolAtomIter.IsPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomIter_IsPolarHydrogen,None,_OBMolAtomIter) _OBMolAtomIter.IsNonPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomIter_IsNonPolarHydrogen,None,_OBMolAtomIter) _OBMolAtomIter.IsAromaticNOxide = new_instancemethod(_openbabel._OBMolAtomIter_IsAromaticNOxide,None,_OBMolAtomIter) _OBMolAtomIter.IsChiral = new_instancemethod(_openbabel._OBMolAtomIter_IsChiral,None,_OBMolAtomIter) _OBMolAtomIter.IsAxial = new_instancemethod(_openbabel._OBMolAtomIter_IsAxial,None,_OBMolAtomIter) _OBMolAtomIter.IsClockwise = new_instancemethod(_openbabel._OBMolAtomIter_IsClockwise,None,_OBMolAtomIter) _OBMolAtomIter.IsAntiClockwise = new_instancemethod(_openbabel._OBMolAtomIter_IsAntiClockwise,None,_OBMolAtomIter) _OBMolAtomIter.IsPositiveStereo = new_instancemethod(_openbabel._OBMolAtomIter_IsPositiveStereo,None,_OBMolAtomIter) _OBMolAtomIter.IsNegativeStereo = new_instancemethod(_openbabel._OBMolAtomIter_IsNegativeStereo,None,_OBMolAtomIter) _OBMolAtomIter.HasChiralitySpecified = new_instancemethod(_openbabel._OBMolAtomIter_HasChiralitySpecified,None,_OBMolAtomIter) _OBMolAtomIter.HasChiralVolume = new_instancemethod(_openbabel._OBMolAtomIter_HasChiralVolume,None,_OBMolAtomIter) _OBMolAtomIter.IsHbondAcceptor = new_instancemethod(_openbabel._OBMolAtomIter_IsHbondAcceptor,None,_OBMolAtomIter) _OBMolAtomIter.IsHbondDonor = new_instancemethod(_openbabel._OBMolAtomIter_IsHbondDonor,None,_OBMolAtomIter) _OBMolAtomIter.IsHbondDonorH = new_instancemethod(_openbabel._OBMolAtomIter_IsHbondDonorH,None,_OBMolAtomIter) _OBMolAtomIter.HasAlphaBetaUnsat = new_instancemethod(_openbabel._OBMolAtomIter_HasAlphaBetaUnsat,None,_OBMolAtomIter) _OBMolAtomIter.HasBondOfOrder = new_instancemethod(_openbabel._OBMolAtomIter_HasBondOfOrder,None,_OBMolAtomIter) _OBMolAtomIter.CountBondsOfOrder = new_instancemethod(_openbabel._OBMolAtomIter_CountBondsOfOrder,None,_OBMolAtomIter) _OBMolAtomIter.HasNonSingleBond = new_instancemethod(_openbabel._OBMolAtomIter_HasNonSingleBond,None,_OBMolAtomIter) _OBMolAtomIter.HasSingleBond = new_instancemethod(_openbabel._OBMolAtomIter_HasSingleBond,None,_OBMolAtomIter) _OBMolAtomIter.HasDoubleBond = new_instancemethod(_openbabel._OBMolAtomIter_HasDoubleBond,None,_OBMolAtomIter) _OBMolAtomIter.HasAromaticBond = new_instancemethod(_openbabel._OBMolAtomIter_HasAromaticBond,None,_OBMolAtomIter) _OBMolAtomIter.MatchesSMARTS = new_instancemethod(_openbabel._OBMolAtomIter_MatchesSMARTS,None,_OBMolAtomIter) _OBMolAtomIter.Clear = new_instancemethod(_openbabel._OBMolAtomIter_Clear,None,_OBMolAtomIter) _OBMolAtomIter.DoTransformations = new_instancemethod(_openbabel._OBMolAtomIter_DoTransformations,None,_OBMolAtomIter) _OBMolAtomIter.ClassDescription = new_instancemethod(_openbabel._OBMolAtomIter_ClassDescription,None,_OBMolAtomIter) _OBMolAtomIter.GetTitle = new_instancemethod(_openbabel._OBMolAtomIter_GetTitle,None,_OBMolAtomIter) _OBMolAtomIter.SetTitle = new_instancemethod(_openbabel._OBMolAtomIter_SetTitle,None,_OBMolAtomIter) _OBMolAtomIter.HasData = new_instancemethod(_openbabel._OBMolAtomIter_HasData,None,_OBMolAtomIter) _OBMolAtomIter.DeleteData = new_instancemethod(_openbabel._OBMolAtomIter_DeleteData,None,_OBMolAtomIter) _OBMolAtomIter.CloneData = new_instancemethod(_openbabel._OBMolAtomIter_CloneData,None,_OBMolAtomIter) _OBMolAtomIter.DataSize = new_instancemethod(_openbabel._OBMolAtomIter_DataSize,None,_OBMolAtomIter) _OBMolAtomIter.GetData = new_instancemethod(_openbabel._OBMolAtomIter_GetData,None,_OBMolAtomIter) _OBMolAtomIter.GetAllData = new_instancemethod(_openbabel._OBMolAtomIter_GetAllData,None,_OBMolAtomIter) _OBMolAtomIter.BeginData = new_instancemethod(_openbabel._OBMolAtomIter_BeginData,None,_OBMolAtomIter) _OBMolAtomIter.EndData = new_instancemethod(_openbabel._OBMolAtomIter_EndData,None,_OBMolAtomIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolAtomDFSIter def __nonzero__(self): return _openbabel._OBMolAtomDFSIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBMolAtomDFSIter_Visit_get, _openbabel._OBMolAtomDFSIter_Visit_set) _OBMolAtomDFSIter.inc = new_instancemethod(_openbabel._OBMolAtomDFSIter_inc,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.__deref__ = new_instancemethod(_openbabel._OBMolAtomDFSIter___deref__,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.__ref__ = new_instancemethod(_openbabel._OBMolAtomDFSIter___ref__,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.next = new_instancemethod(_openbabel._OBMolAtomDFSIter_next,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.__eq__ = new_instancemethod(_openbabel._OBMolAtomDFSIter___eq__,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.Duplicate = new_instancemethod(_openbabel._OBMolAtomDFSIter_Duplicate,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetIdx = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetIdx,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetId = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetId,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetHyb = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetHyb,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetAtomicNum = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetAtomicNum,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetIsotope = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetIsotope,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetImplicitValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetImplicitValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IncrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_IncrementImplicitValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DecrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_DecrementImplicitValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetFormalCharge = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetFormalCharge,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetSpinMultiplicity,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetType = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetType,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetPartialCharge = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetPartialCharge,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetVector = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetVector,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetCoordPtr = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetCoordPtr,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetParent = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetParent,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetAromatic = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetAromatic,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.UnsetAromatic = new_instancemethod(_openbabel._OBMolAtomDFSIter_UnsetAromatic,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetClockwiseStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetAntiClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetAntiClockwiseStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetPositiveStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetPositiveStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetNegativeStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetNegativeStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.UnsetStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_UnsetStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetInRing = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetInRing,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetChiral = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetChiral,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ClearCoordPtr = new_instancemethod(_openbabel._OBMolAtomDFSIter_ClearCoordPtr,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetFormalCharge = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetFormalCharge,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetAtomicNum = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetAtomicNum,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetIsotope = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetIsotope,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetSpinMultiplicity,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetAtomicMass = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetAtomicMass,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetExactMass = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetExactMass,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetIdx = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetIdx,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetIndex = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetIndex,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetId = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetId,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetCoordinateIdx = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetCoordinateIdx,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetCIdx = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetCIdx,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetHyb = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetHyb,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetImplicitValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetImplicitValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetHvyValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetHvyValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetHeteroValence = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetHeteroValence,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetType = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetType,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetX = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetX,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetY = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetY,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetZ = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetZ,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.x = new_instancemethod(_openbabel._OBMolAtomDFSIter_x,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.y = new_instancemethod(_openbabel._OBMolAtomDFSIter_y,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.z = new_instancemethod(_openbabel._OBMolAtomDFSIter_z,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetCoordinate = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetCoordinate,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetVector = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetVector,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetPartialCharge = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetPartialCharge,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetParent = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetParent,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetNewBondVector = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetNewBondVector,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetNextAtom = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetNextAtom,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.BeginBonds = new_instancemethod(_openbabel._OBMolAtomDFSIter_BeginBonds,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.EndBonds = new_instancemethod(_openbabel._OBMolAtomDFSIter_EndBonds,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.BeginBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_BeginBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.NextBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_NextBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.BeginNbrAtom = new_instancemethod(_openbabel._OBMolAtomDFSIter_BeginNbrAtom,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.NextNbrAtom = new_instancemethod(_openbabel._OBMolAtomDFSIter_NextNbrAtom,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetDistance = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetDistance,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetAngle = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetAngle,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.NewResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_NewResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.AddResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_AddResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DeleteResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_DeleteResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.AddBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_AddBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.InsertBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_InsertBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DeleteBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_DeleteBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ClearBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_ClearBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HtoMethyl = new_instancemethod(_openbabel._OBMolAtomDFSIter_HtoMethyl,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetHybAndGeom = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetHybAndGeom,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ForceNoH = new_instancemethod(_openbabel._OBMolAtomDFSIter_ForceNoH,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasNoHForced = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasNoHForced,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ForceImplH = new_instancemethod(_openbabel._OBMolAtomDFSIter_ForceImplH,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasImplHForced = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasImplHForced,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.CountFreeOxygens = new_instancemethod(_openbabel._OBMolAtomDFSIter_CountFreeOxygens,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ImplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomDFSIter_ImplicitHydrogenCount,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ExplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomDFSIter_ExplicitHydrogenCount,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.MemberOfRingCount = new_instancemethod(_openbabel._OBMolAtomDFSIter_MemberOfRingCount,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.MemberOfRingSize = new_instancemethod(_openbabel._OBMolAtomDFSIter_MemberOfRingSize,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.CountRingBonds = new_instancemethod(_openbabel._OBMolAtomDFSIter_CountRingBonds,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SmallestBondAngle = new_instancemethod(_openbabel._OBMolAtomDFSIter_SmallestBondAngle,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.AverageBondAngle = new_instancemethod(_openbabel._OBMolAtomDFSIter_AverageBondAngle,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.BOSum = new_instancemethod(_openbabel._OBMolAtomDFSIter_BOSum,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.KBOSum = new_instancemethod(_openbabel._OBMolAtomDFSIter_KBOSum,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasResidue = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasResidue,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsHydrogen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsHydrogen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsCarbon = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsCarbon,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsNitrogen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsNitrogen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsOxygen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsOxygen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsSulfur = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsSulfur,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsPhosphorus = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsPhosphorus,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsAromatic = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsAromatic,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsInRing = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsInRing,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsInRingSize = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsInRingSize,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsHeteroatom = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsHeteroatom,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsNotCorH = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsNotCorH,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsConnected = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsConnected,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsOneThree = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsOneThree,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsOneFour = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsOneFour,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsCarboxylOxygen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsCarboxylOxygen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsPhosphateOxygen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsPhosphateOxygen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsSulfateOxygen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsSulfateOxygen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsNitroOxygen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsNitroOxygen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsAmideNitrogen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsAmideNitrogen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsPolarHydrogen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsNonPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsNonPolarHydrogen,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsAromaticNOxide = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsAromaticNOxide,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsChiral = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsChiral,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsAxial = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsAxial,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsClockwise = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsClockwise,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsAntiClockwise = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsAntiClockwise,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsPositiveStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsPositiveStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsNegativeStereo = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsNegativeStereo,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasChiralitySpecified = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasChiralitySpecified,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasChiralVolume = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasChiralVolume,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsHbondAcceptor = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsHbondAcceptor,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsHbondDonor = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsHbondDonor,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.IsHbondDonorH = new_instancemethod(_openbabel._OBMolAtomDFSIter_IsHbondDonorH,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasAlphaBetaUnsat = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasAlphaBetaUnsat,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasBondOfOrder = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasBondOfOrder,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.CountBondsOfOrder = new_instancemethod(_openbabel._OBMolAtomDFSIter_CountBondsOfOrder,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasNonSingleBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasNonSingleBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasSingleBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasSingleBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasDoubleBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasDoubleBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasAromaticBond = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasAromaticBond,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.MatchesSMARTS = new_instancemethod(_openbabel._OBMolAtomDFSIter_MatchesSMARTS,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.Clear = new_instancemethod(_openbabel._OBMolAtomDFSIter_Clear,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DoTransformations = new_instancemethod(_openbabel._OBMolAtomDFSIter_DoTransformations,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.ClassDescription = new_instancemethod(_openbabel._OBMolAtomDFSIter_ClassDescription,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetTitle = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetTitle,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.SetTitle = new_instancemethod(_openbabel._OBMolAtomDFSIter_SetTitle,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.HasData = new_instancemethod(_openbabel._OBMolAtomDFSIter_HasData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DeleteData = new_instancemethod(_openbabel._OBMolAtomDFSIter_DeleteData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.CloneData = new_instancemethod(_openbabel._OBMolAtomDFSIter_CloneData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.DataSize = new_instancemethod(_openbabel._OBMolAtomDFSIter_DataSize,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetData = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.GetAllData = new_instancemethod(_openbabel._OBMolAtomDFSIter_GetAllData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.BeginData = new_instancemethod(_openbabel._OBMolAtomDFSIter_BeginData,None,_OBMolAtomDFSIter) _OBMolAtomDFSIter.EndData = new_instancemethod(_openbabel._OBMolAtomDFSIter_EndData,None,_OBMolAtomDFSIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolAtomBFSIter def __nonzero__(self): return _openbabel._OBMolAtomBFSIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBMolAtomBFSIter_Visit_get, _openbabel._OBMolAtomBFSIter_Visit_set) _OBMolAtomBFSIter.inc = new_instancemethod(_openbabel._OBMolAtomBFSIter_inc,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.__deref__ = new_instancemethod(_openbabel._OBMolAtomBFSIter___deref__,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.__ref__ = new_instancemethod(_openbabel._OBMolAtomBFSIter___ref__,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.CurrentDepth = new_instancemethod(_openbabel._OBMolAtomBFSIter_CurrentDepth,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.__eq__ = new_instancemethod(_openbabel._OBMolAtomBFSIter___eq__,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.Duplicate = new_instancemethod(_openbabel._OBMolAtomBFSIter_Duplicate,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetIdx = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetIdx,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetId = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetId,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetHyb = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetHyb,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetAtomicNum = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetAtomicNum,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetIsotope = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetIsotope,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetImplicitValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetImplicitValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IncrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_IncrementImplicitValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DecrementImplicitValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_DecrementImplicitValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetFormalCharge = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetFormalCharge,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetSpinMultiplicity,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetType = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetType,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetPartialCharge = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetPartialCharge,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetVector = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetVector,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetCoordPtr = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetCoordPtr,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetParent = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetParent,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetAromatic = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetAromatic,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.UnsetAromatic = new_instancemethod(_openbabel._OBMolAtomBFSIter_UnsetAromatic,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetClockwiseStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetAntiClockwiseStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetAntiClockwiseStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetPositiveStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetPositiveStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetNegativeStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetNegativeStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.UnsetStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_UnsetStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetInRing = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetInRing,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetChiral = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetChiral,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ClearCoordPtr = new_instancemethod(_openbabel._OBMolAtomBFSIter_ClearCoordPtr,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetFormalCharge = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetFormalCharge,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetAtomicNum = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetAtomicNum,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetIsotope = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetIsotope,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetSpinMultiplicity = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetSpinMultiplicity,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetAtomicMass = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetAtomicMass,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetExactMass = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetExactMass,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetIdx = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetIdx,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetIndex = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetIndex,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetId = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetId,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetCoordinateIdx = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetCoordinateIdx,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetCIdx = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetCIdx,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetHyb = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetHyb,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetImplicitValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetImplicitValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetHvyValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetHvyValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetHeteroValence = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetHeteroValence,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetType = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetType,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetX = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetX,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetY = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetY,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetZ = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetZ,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.x = new_instancemethod(_openbabel._OBMolAtomBFSIter_x,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.y = new_instancemethod(_openbabel._OBMolAtomBFSIter_y,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.z = new_instancemethod(_openbabel._OBMolAtomBFSIter_z,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetCoordinate = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetCoordinate,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetVector = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetVector,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetPartialCharge = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetPartialCharge,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetParent = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetParent,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetNewBondVector = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetNewBondVector,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetNextAtom = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetNextAtom,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.BeginBonds = new_instancemethod(_openbabel._OBMolAtomBFSIter_BeginBonds,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.EndBonds = new_instancemethod(_openbabel._OBMolAtomBFSIter_EndBonds,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.BeginBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_BeginBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.NextBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_NextBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.BeginNbrAtom = new_instancemethod(_openbabel._OBMolAtomBFSIter_BeginNbrAtom,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.NextNbrAtom = new_instancemethod(_openbabel._OBMolAtomBFSIter_NextNbrAtom,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetDistance = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetDistance,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetAngle = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetAngle,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.NewResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_NewResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.AddResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_AddResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DeleteResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_DeleteResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.AddBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_AddBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.InsertBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_InsertBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DeleteBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_DeleteBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ClearBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_ClearBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HtoMethyl = new_instancemethod(_openbabel._OBMolAtomBFSIter_HtoMethyl,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetHybAndGeom = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetHybAndGeom,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ForceNoH = new_instancemethod(_openbabel._OBMolAtomBFSIter_ForceNoH,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasNoHForced = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasNoHForced,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ForceImplH = new_instancemethod(_openbabel._OBMolAtomBFSIter_ForceImplH,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasImplHForced = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasImplHForced,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.CountFreeOxygens = new_instancemethod(_openbabel._OBMolAtomBFSIter_CountFreeOxygens,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ImplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomBFSIter_ImplicitHydrogenCount,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ExplicitHydrogenCount = new_instancemethod(_openbabel._OBMolAtomBFSIter_ExplicitHydrogenCount,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.MemberOfRingCount = new_instancemethod(_openbabel._OBMolAtomBFSIter_MemberOfRingCount,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.MemberOfRingSize = new_instancemethod(_openbabel._OBMolAtomBFSIter_MemberOfRingSize,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.CountRingBonds = new_instancemethod(_openbabel._OBMolAtomBFSIter_CountRingBonds,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SmallestBondAngle = new_instancemethod(_openbabel._OBMolAtomBFSIter_SmallestBondAngle,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.AverageBondAngle = new_instancemethod(_openbabel._OBMolAtomBFSIter_AverageBondAngle,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.BOSum = new_instancemethod(_openbabel._OBMolAtomBFSIter_BOSum,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.KBOSum = new_instancemethod(_openbabel._OBMolAtomBFSIter_KBOSum,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasResidue = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasResidue,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsHydrogen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsHydrogen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsCarbon = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsCarbon,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsNitrogen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsNitrogen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsOxygen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsOxygen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsSulfur = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsSulfur,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsPhosphorus = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsPhosphorus,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsAromatic = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsAromatic,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsInRing = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsInRing,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsInRingSize = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsInRingSize,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsHeteroatom = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsHeteroatom,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsNotCorH = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsNotCorH,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsConnected = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsConnected,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsOneThree = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsOneThree,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsOneFour = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsOneFour,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsCarboxylOxygen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsCarboxylOxygen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsPhosphateOxygen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsPhosphateOxygen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsSulfateOxygen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsSulfateOxygen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsNitroOxygen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsNitroOxygen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsAmideNitrogen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsAmideNitrogen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsPolarHydrogen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsNonPolarHydrogen = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsNonPolarHydrogen,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsAromaticNOxide = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsAromaticNOxide,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsChiral = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsChiral,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsAxial = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsAxial,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsClockwise = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsClockwise,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsAntiClockwise = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsAntiClockwise,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsPositiveStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsPositiveStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsNegativeStereo = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsNegativeStereo,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasChiralitySpecified = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasChiralitySpecified,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasChiralVolume = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasChiralVolume,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsHbondAcceptor = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsHbondAcceptor,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsHbondDonor = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsHbondDonor,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.IsHbondDonorH = new_instancemethod(_openbabel._OBMolAtomBFSIter_IsHbondDonorH,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasAlphaBetaUnsat = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasAlphaBetaUnsat,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasBondOfOrder = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasBondOfOrder,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.CountBondsOfOrder = new_instancemethod(_openbabel._OBMolAtomBFSIter_CountBondsOfOrder,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasNonSingleBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasNonSingleBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasSingleBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasSingleBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasDoubleBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasDoubleBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasAromaticBond = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasAromaticBond,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.MatchesSMARTS = new_instancemethod(_openbabel._OBMolAtomBFSIter_MatchesSMARTS,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.Clear = new_instancemethod(_openbabel._OBMolAtomBFSIter_Clear,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DoTransformations = new_instancemethod(_openbabel._OBMolAtomBFSIter_DoTransformations,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.ClassDescription = new_instancemethod(_openbabel._OBMolAtomBFSIter_ClassDescription,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetTitle = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetTitle,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.SetTitle = new_instancemethod(_openbabel._OBMolAtomBFSIter_SetTitle,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.HasData = new_instancemethod(_openbabel._OBMolAtomBFSIter_HasData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DeleteData = new_instancemethod(_openbabel._OBMolAtomBFSIter_DeleteData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.CloneData = new_instancemethod(_openbabel._OBMolAtomBFSIter_CloneData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.DataSize = new_instancemethod(_openbabel._OBMolAtomBFSIter_DataSize,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetData = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.GetAllData = new_instancemethod(_openbabel._OBMolAtomBFSIter_GetAllData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.BeginData = new_instancemethod(_openbabel._OBMolAtomBFSIter_BeginData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter.EndData = new_instancemethod(_openbabel._OBMolAtomBFSIter_EndData,None,_OBMolAtomBFSIter) _OBMolAtomBFSIter_swigregister = _openbabel._OBMolAtomBFSIter_swigregister _OBMolAtomBFSIter_swigregister(_OBMolAtomBFSIter) class OBMolBondBFSIter(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.OBMolBondBFSIter_swiginit(self,_openbabel.new_OBMolBondBFSIter(*args)) __swig_destroy__ = _openbabel.delete_OBMolBondBFSIter def __nonzero__(self): return _openbabel.OBMolBondBFSIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel.OBMolBondBFSIter_Visit_get, _openbabel.OBMolBondBFSIter_Visit_set) OBMolBondBFSIter.inc = new_instancemethod(_openbabel.OBMolBondBFSIter_inc,None,OBMolBondBFSIter) OBMolBondBFSIter.__deref__ = new_instancemethod(_openbabel.OBMolBondBFSIter___deref__,None,OBMolBondBFSIter) OBMolBondBFSIter.__ref__ = new_instancemethod(_openbabel.OBMolBondBFSIter___ref__,None,OBMolBondBFSIter) OBMolBondBFSIter.CurrentDepth = new_instancemethod(_openbabel.OBMolBondBFSIter_CurrentDepth,None,OBMolBondBFSIter) OBMolBondBFSIter.SetIdx = new_instancemethod(_openbabel.OBMolBondBFSIter_SetIdx,None,OBMolBondBFSIter) OBMolBondBFSIter.SetId = new_instancemethod(_openbabel.OBMolBondBFSIter_SetId,None,OBMolBondBFSIter) OBMolBondBFSIter.SetBO = new_instancemethod(_openbabel.OBMolBondBFSIter_SetBO,None,OBMolBondBFSIter) OBMolBondBFSIter.SetBondOrder = new_instancemethod(_openbabel.OBMolBondBFSIter_SetBondOrder,None,OBMolBondBFSIter) OBMolBondBFSIter.SetBegin = new_instancemethod(_openbabel.OBMolBondBFSIter_SetBegin,None,OBMolBondBFSIter) OBMolBondBFSIter.SetEnd = new_instancemethod(_openbabel.OBMolBondBFSIter_SetEnd,None,OBMolBondBFSIter) OBMolBondBFSIter.SetParent = new_instancemethod(_openbabel.OBMolBondBFSIter_SetParent,None,OBMolBondBFSIter) OBMolBondBFSIter.SetLength = new_instancemethod(_openbabel.OBMolBondBFSIter_SetLength,None,OBMolBondBFSIter) OBMolBondBFSIter.Set = new_instancemethod(_openbabel.OBMolBondBFSIter_Set,None,OBMolBondBFSIter) OBMolBondBFSIter.SetKSingle = new_instancemethod(_openbabel.OBMolBondBFSIter_SetKSingle,None,OBMolBondBFSIter) OBMolBondBFSIter.SetKDouble = new_instancemethod(_openbabel.OBMolBondBFSIter_SetKDouble,None,OBMolBondBFSIter) OBMolBondBFSIter.SetKTriple = new_instancemethod(_openbabel.OBMolBondBFSIter_SetKTriple,None,OBMolBondBFSIter) OBMolBondBFSIter.SetAromatic = new_instancemethod(_openbabel.OBMolBondBFSIter_SetAromatic,None,OBMolBondBFSIter) OBMolBondBFSIter.SetWedge = new_instancemethod(_openbabel.OBMolBondBFSIter_SetWedge,None,OBMolBondBFSIter) OBMolBondBFSIter.SetHash = new_instancemethod(_openbabel.OBMolBondBFSIter_SetHash,None,OBMolBondBFSIter) OBMolBondBFSIter.SetWedgeOrHash = new_instancemethod(_openbabel.OBMolBondBFSIter_SetWedgeOrHash,None,OBMolBondBFSIter) OBMolBondBFSIter.SetUp = new_instancemethod(_openbabel.OBMolBondBFSIter_SetUp,None,OBMolBondBFSIter) OBMolBondBFSIter.SetDown = new_instancemethod(_openbabel.OBMolBondBFSIter_SetDown,None,OBMolBondBFSIter) OBMolBondBFSIter.SetInRing = new_instancemethod(_openbabel.OBMolBondBFSIter_SetInRing,None,OBMolBondBFSIter) OBMolBondBFSIter.SetClosure = new_instancemethod(_openbabel.OBMolBondBFSIter_SetClosure,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetHash = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetHash,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetWedge = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetWedge,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetUp = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetUp,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetDown = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetDown,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetAromatic = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetAromatic,None,OBMolBondBFSIter) OBMolBondBFSIter.UnsetKekule = new_instancemethod(_openbabel.OBMolBondBFSIter_UnsetKekule,None,OBMolBondBFSIter) OBMolBondBFSIter.GetIdx = new_instancemethod(_openbabel.OBMolBondBFSIter_GetIdx,None,OBMolBondBFSIter) OBMolBondBFSIter.GetId = new_instancemethod(_openbabel.OBMolBondBFSIter_GetId,None,OBMolBondBFSIter) OBMolBondBFSIter.GetBO = new_instancemethod(_openbabel.OBMolBondBFSIter_GetBO,None,OBMolBondBFSIter) OBMolBondBFSIter.GetBondOrder = new_instancemethod(_openbabel.OBMolBondBFSIter_GetBondOrder,None,OBMolBondBFSIter) OBMolBondBFSIter.GetFlags = new_instancemethod(_openbabel.OBMolBondBFSIter_GetFlags,None,OBMolBondBFSIter) OBMolBondBFSIter.GetBeginAtomIdx = new_instancemethod(_openbabel.OBMolBondBFSIter_GetBeginAtomIdx,None,OBMolBondBFSIter) OBMolBondBFSIter.GetEndAtomIdx = new_instancemethod(_openbabel.OBMolBondBFSIter_GetEndAtomIdx,None,OBMolBondBFSIter) OBMolBondBFSIter.GetBeginAtom = new_instancemethod(_openbabel.OBMolBondBFSIter_GetBeginAtom,None,OBMolBondBFSIter) OBMolBondBFSIter.GetEndAtom = new_instancemethod(_openbabel.OBMolBondBFSIter_GetEndAtom,None,OBMolBondBFSIter) OBMolBondBFSIter.GetNbrAtom = new_instancemethod(_openbabel.OBMolBondBFSIter_GetNbrAtom,None,OBMolBondBFSIter) OBMolBondBFSIter.GetParent = new_instancemethod(_openbabel.OBMolBondBFSIter_GetParent,None,OBMolBondBFSIter) OBMolBondBFSIter.GetEquibLength = new_instancemethod(_openbabel.OBMolBondBFSIter_GetEquibLength,None,OBMolBondBFSIter) OBMolBondBFSIter.GetLength = new_instancemethod(_openbabel.OBMolBondBFSIter_GetLength,None,OBMolBondBFSIter) OBMolBondBFSIter.GetNbrAtomIdx = new_instancemethod(_openbabel.OBMolBondBFSIter_GetNbrAtomIdx,None,OBMolBondBFSIter) OBMolBondBFSIter.FindSmallestRing = new_instancemethod(_openbabel.OBMolBondBFSIter_FindSmallestRing,None,OBMolBondBFSIter) OBMolBondBFSIter.IsAromatic = new_instancemethod(_openbabel.OBMolBondBFSIter_IsAromatic,None,OBMolBondBFSIter) OBMolBondBFSIter.IsInRing = new_instancemethod(_openbabel.OBMolBondBFSIter_IsInRing,None,OBMolBondBFSIter) OBMolBondBFSIter.IsRotor = new_instancemethod(_openbabel.OBMolBondBFSIter_IsRotor,None,OBMolBondBFSIter) OBMolBondBFSIter.IsAmide = new_instancemethod(_openbabel.OBMolBondBFSIter_IsAmide,None,OBMolBondBFSIter) OBMolBondBFSIter.IsPrimaryAmide = new_instancemethod(_openbabel.OBMolBondBFSIter_IsPrimaryAmide,None,OBMolBondBFSIter) OBMolBondBFSIter.IsSecondaryAmide = new_instancemethod(_openbabel.OBMolBondBFSIter_IsSecondaryAmide,None,OBMolBondBFSIter) OBMolBondBFSIter.IsTertiaryAmide = new_instancemethod(_openbabel.OBMolBondBFSIter_IsTertiaryAmide,None,OBMolBondBFSIter) OBMolBondBFSIter.IsEster = new_instancemethod(_openbabel.OBMolBondBFSIter_IsEster,None,OBMolBondBFSIter) OBMolBondBFSIter.IsCarbonyl = new_instancemethod(_openbabel.OBMolBondBFSIter_IsCarbonyl,None,OBMolBondBFSIter) OBMolBondBFSIter.IsSingle = new_instancemethod(_openbabel.OBMolBondBFSIter_IsSingle,None,OBMolBondBFSIter) OBMolBondBFSIter.IsDouble = new_instancemethod(_openbabel.OBMolBondBFSIter_IsDouble,None,OBMolBondBFSIter) OBMolBondBFSIter.IsTriple = new_instancemethod(_openbabel.OBMolBondBFSIter_IsTriple,None,OBMolBondBFSIter) OBMolBondBFSIter.IsKSingle = new_instancemethod(_openbabel.OBMolBondBFSIter_IsKSingle,None,OBMolBondBFSIter) OBMolBondBFSIter.IsKDouble = new_instancemethod(_openbabel.OBMolBondBFSIter_IsKDouble,None,OBMolBondBFSIter) OBMolBondBFSIter.IsKTriple = new_instancemethod(_openbabel.OBMolBondBFSIter_IsKTriple,None,OBMolBondBFSIter) OBMolBondBFSIter.IsClosure = new_instancemethod(_openbabel.OBMolBondBFSIter_IsClosure,None,OBMolBondBFSIter) OBMolBondBFSIter.IsUp = new_instancemethod(_openbabel.OBMolBondBFSIter_IsUp,None,OBMolBondBFSIter) OBMolBondBFSIter.IsDown = new_instancemethod(_openbabel.OBMolBondBFSIter_IsDown,None,OBMolBondBFSIter) OBMolBondBFSIter.IsWedge = new_instancemethod(_openbabel.OBMolBondBFSIter_IsWedge,None,OBMolBondBFSIter) OBMolBondBFSIter.IsHash = new_instancemethod(_openbabel.OBMolBondBFSIter_IsHash,None,OBMolBondBFSIter) OBMolBondBFSIter.IsWedgeOrHash = new_instancemethod(_openbabel.OBMolBondBFSIter_IsWedgeOrHash,None,OBMolBondBFSIter) OBMolBondBFSIter.IsCisOrTrans = new_instancemethod(_openbabel.OBMolBondBFSIter_IsCisOrTrans,None,OBMolBondBFSIter) OBMolBondBFSIter.IsDoubleBondGeometry = new_instancemethod(_openbabel.OBMolBondBFSIter_IsDoubleBondGeometry,None,OBMolBondBFSIter) OBMolBondBFSIter.Clear = new_instancemethod(_openbabel.OBMolBondBFSIter_Clear,None,OBMolBondBFSIter) OBMolBondBFSIter.DoTransformations = new_instancemethod(_openbabel.OBMolBondBFSIter_DoTransformations,None,OBMolBondBFSIter) OBMolBondBFSIter.ClassDescription = new_instancemethod(_openbabel.OBMolBondBFSIter_ClassDescription,None,OBMolBondBFSIter) OBMolBondBFSIter.GetTitle = new_instancemethod(_openbabel.OBMolBondBFSIter_GetTitle,None,OBMolBondBFSIter) OBMolBondBFSIter.SetTitle = new_instancemethod(_openbabel.OBMolBondBFSIter_SetTitle,None,OBMolBondBFSIter) OBMolBondBFSIter.HasData = new_instancemethod(_openbabel.OBMolBondBFSIter_HasData,None,OBMolBondBFSIter) OBMolBondBFSIter.DeleteData = new_instancemethod(_openbabel.OBMolBondBFSIter_DeleteData,None,OBMolBondBFSIter) OBMolBondBFSIter.CloneData = new_instancemethod(_openbabel.OBMolBondBFSIter_CloneData,None,OBMolBondBFSIter) OBMolBondBFSIter.DataSize = new_instancemethod(_openbabel.OBMolBondBFSIter_DataSize,None,OBMolBondBFSIter) OBMolBondBFSIter.GetData = new_instancemethod(_openbabel.OBMolBondBFSIter_GetData,None,OBMolBondBFSIter) OBMolBondBFSIter.GetAllData = new_instancemethod(_openbabel.OBMolBondBFSIter_GetAllData,None,OBMolBondBFSIter) OBMolBondBFSIter.BeginData = new_instancemethod(_openbabel.OBMolBondBFSIter_BeginData,None,OBMolBondBFSIter) OBMolBondBFSIter.EndData = new_instancemethod(_openbabel.OBMolBondBFSIter_EndData,None,OBMolBondBFSIter) OBMolBondBFSIter_swigregister = _openbabel.OBMolBondBFSIter_swigregister OBMolBondBFSIter_swigregister(OBMolBondBFSIter) 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)) __swig_destroy__ = _openbabel.delete__OBMolBondIter def __nonzero__(self): return _openbabel._OBMolBondIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBMolBondIter_Visit_get, _openbabel._OBMolBondIter_Visit_set) _OBMolBondIter.inc = new_instancemethod(_openbabel._OBMolBondIter_inc,None,_OBMolBondIter) _OBMolBondIter.__deref__ = new_instancemethod(_openbabel._OBMolBondIter___deref__,None,_OBMolBondIter) _OBMolBondIter.__ref__ = new_instancemethod(_openbabel._OBMolBondIter___ref__,None,_OBMolBondIter) _OBMolBondIter.SetIdx = new_instancemethod(_openbabel._OBMolBondIter_SetIdx,None,_OBMolBondIter) _OBMolBondIter.SetId = new_instancemethod(_openbabel._OBMolBondIter_SetId,None,_OBMolBondIter) _OBMolBondIter.SetBO = new_instancemethod(_openbabel._OBMolBondIter_SetBO,None,_OBMolBondIter) _OBMolBondIter.SetBondOrder = new_instancemethod(_openbabel._OBMolBondIter_SetBondOrder,None,_OBMolBondIter) _OBMolBondIter.SetBegin = new_instancemethod(_openbabel._OBMolBondIter_SetBegin,None,_OBMolBondIter) _OBMolBondIter.SetEnd = new_instancemethod(_openbabel._OBMolBondIter_SetEnd,None,_OBMolBondIter) _OBMolBondIter.SetParent = new_instancemethod(_openbabel._OBMolBondIter_SetParent,None,_OBMolBondIter) _OBMolBondIter.SetLength = new_instancemethod(_openbabel._OBMolBondIter_SetLength,None,_OBMolBondIter) _OBMolBondIter.Set = new_instancemethod(_openbabel._OBMolBondIter_Set,None,_OBMolBondIter) _OBMolBondIter.SetKSingle = new_instancemethod(_openbabel._OBMolBondIter_SetKSingle,None,_OBMolBondIter) _OBMolBondIter.SetKDouble = new_instancemethod(_openbabel._OBMolBondIter_SetKDouble,None,_OBMolBondIter) _OBMolBondIter.SetKTriple = new_instancemethod(_openbabel._OBMolBondIter_SetKTriple,None,_OBMolBondIter) _OBMolBondIter.SetAromatic = new_instancemethod(_openbabel._OBMolBondIter_SetAromatic,None,_OBMolBondIter) _OBMolBondIter.SetWedge = new_instancemethod(_openbabel._OBMolBondIter_SetWedge,None,_OBMolBondIter) _OBMolBondIter.SetHash = new_instancemethod(_openbabel._OBMolBondIter_SetHash,None,_OBMolBondIter) _OBMolBondIter.SetWedgeOrHash = new_instancemethod(_openbabel._OBMolBondIter_SetWedgeOrHash,None,_OBMolBondIter) _OBMolBondIter.SetUp = new_instancemethod(_openbabel._OBMolBondIter_SetUp,None,_OBMolBondIter) _OBMolBondIter.SetDown = new_instancemethod(_openbabel._OBMolBondIter_SetDown,None,_OBMolBondIter) _OBMolBondIter.SetInRing = new_instancemethod(_openbabel._OBMolBondIter_SetInRing,None,_OBMolBondIter) _OBMolBondIter.SetClosure = new_instancemethod(_openbabel._OBMolBondIter_SetClosure,None,_OBMolBondIter) _OBMolBondIter.UnsetHash = new_instancemethod(_openbabel._OBMolBondIter_UnsetHash,None,_OBMolBondIter) _OBMolBondIter.UnsetWedge = new_instancemethod(_openbabel._OBMolBondIter_UnsetWedge,None,_OBMolBondIter) _OBMolBondIter.UnsetUp = new_instancemethod(_openbabel._OBMolBondIter_UnsetUp,None,_OBMolBondIter) _OBMolBondIter.UnsetDown = new_instancemethod(_openbabel._OBMolBondIter_UnsetDown,None,_OBMolBondIter) _OBMolBondIter.UnsetAromatic = new_instancemethod(_openbabel._OBMolBondIter_UnsetAromatic,None,_OBMolBondIter) _OBMolBondIter.UnsetKekule = new_instancemethod(_openbabel._OBMolBondIter_UnsetKekule,None,_OBMolBondIter) _OBMolBondIter.GetIdx = new_instancemethod(_openbabel._OBMolBondIter_GetIdx,None,_OBMolBondIter) _OBMolBondIter.GetId = new_instancemethod(_openbabel._OBMolBondIter_GetId,None,_OBMolBondIter) _OBMolBondIter.GetBO = new_instancemethod(_openbabel._OBMolBondIter_GetBO,None,_OBMolBondIter) _OBMolBondIter.GetBondOrder = new_instancemethod(_openbabel._OBMolBondIter_GetBondOrder,None,_OBMolBondIter) _OBMolBondIter.GetFlags = new_instancemethod(_openbabel._OBMolBondIter_GetFlags,None,_OBMolBondIter) _OBMolBondIter.GetBeginAtomIdx = new_instancemethod(_openbabel._OBMolBondIter_GetBeginAtomIdx,None,_OBMolBondIter) _OBMolBondIter.GetEndAtomIdx = new_instancemethod(_openbabel._OBMolBondIter_GetEndAtomIdx,None,_OBMolBondIter) _OBMolBondIter.GetBeginAtom = new_instancemethod(_openbabel._OBMolBondIter_GetBeginAtom,None,_OBMolBondIter) _OBMolBondIter.GetEndAtom = new_instancemethod(_openbabel._OBMolBondIter_GetEndAtom,None,_OBMolBondIter) _OBMolBondIter.GetNbrAtom = new_instancemethod(_openbabel._OBMolBondIter_GetNbrAtom,None,_OBMolBondIter) _OBMolBondIter.GetParent = new_instancemethod(_openbabel._OBMolBondIter_GetParent,None,_OBMolBondIter) _OBMolBondIter.GetEquibLength = new_instancemethod(_openbabel._OBMolBondIter_GetEquibLength,None,_OBMolBondIter) _OBMolBondIter.GetLength = new_instancemethod(_openbabel._OBMolBondIter_GetLength,None,_OBMolBondIter) _OBMolBondIter.GetNbrAtomIdx = new_instancemethod(_openbabel._OBMolBondIter_GetNbrAtomIdx,None,_OBMolBondIter) _OBMolBondIter.FindSmallestRing = new_instancemethod(_openbabel._OBMolBondIter_FindSmallestRing,None,_OBMolBondIter) _OBMolBondIter.IsAromatic = new_instancemethod(_openbabel._OBMolBondIter_IsAromatic,None,_OBMolBondIter) _OBMolBondIter.IsInRing = new_instancemethod(_openbabel._OBMolBondIter_IsInRing,None,_OBMolBondIter) _OBMolBondIter.IsRotor = new_instancemethod(_openbabel._OBMolBondIter_IsRotor,None,_OBMolBondIter) _OBMolBondIter.IsAmide = new_instancemethod(_openbabel._OBMolBondIter_IsAmide,None,_OBMolBondIter) _OBMolBondIter.IsPrimaryAmide = new_instancemethod(_openbabel._OBMolBondIter_IsPrimaryAmide,None,_OBMolBondIter) _OBMolBondIter.IsSecondaryAmide = new_instancemethod(_openbabel._OBMolBondIter_IsSecondaryAmide,None,_OBMolBondIter) _OBMolBondIter.IsTertiaryAmide = new_instancemethod(_openbabel._OBMolBondIter_IsTertiaryAmide,None,_OBMolBondIter) _OBMolBondIter.IsEster = new_instancemethod(_openbabel._OBMolBondIter_IsEster,None,_OBMolBondIter) _OBMolBondIter.IsCarbonyl = new_instancemethod(_openbabel._OBMolBondIter_IsCarbonyl,None,_OBMolBondIter) _OBMolBondIter.IsSingle = new_instancemethod(_openbabel._OBMolBondIter_IsSingle,None,_OBMolBondIter) _OBMolBondIter.IsDouble = new_instancemethod(_openbabel._OBMolBondIter_IsDouble,None,_OBMolBondIter) _OBMolBondIter.IsTriple = new_instancemethod(_openbabel._OBMolBondIter_IsTriple,None,_OBMolBondIter) _OBMolBondIter.IsKSingle = new_instancemethod(_openbabel._OBMolBondIter_IsKSingle,None,_OBMolBondIter) _OBMolBondIter.IsKDouble = new_instancemethod(_openbabel._OBMolBondIter_IsKDouble,None,_OBMolBondIter) _OBMolBondIter.IsKTriple = new_instancemethod(_openbabel._OBMolBondIter_IsKTriple,None,_OBMolBondIter) _OBMolBondIter.IsClosure = new_instancemethod(_openbabel._OBMolBondIter_IsClosure,None,_OBMolBondIter) _OBMolBondIter.IsUp = new_instancemethod(_openbabel._OBMolBondIter_IsUp,None,_OBMolBondIter) _OBMolBondIter.IsDown = new_instancemethod(_openbabel._OBMolBondIter_IsDown,None,_OBMolBondIter) _OBMolBondIter.IsWedge = new_instancemethod(_openbabel._OBMolBondIter_IsWedge,None,_OBMolBondIter) _OBMolBondIter.IsHash = new_instancemethod(_openbabel._OBMolBondIter_IsHash,None,_OBMolBondIter) _OBMolBondIter.IsWedgeOrHash = new_instancemethod(_openbabel._OBMolBondIter_IsWedgeOrHash,None,_OBMolBondIter) _OBMolBondIter.IsCisOrTrans = new_instancemethod(_openbabel._OBMolBondIter_IsCisOrTrans,None,_OBMolBondIter) _OBMolBondIter.IsDoubleBondGeometry = new_instancemethod(_openbabel._OBMolBondIter_IsDoubleBondGeometry,None,_OBMolBondIter) _OBMolBondIter.Clear = new_instancemethod(_openbabel._OBMolBondIter_Clear,None,_OBMolBondIter) _OBMolBondIter.DoTransformations = new_instancemethod(_openbabel._OBMolBondIter_DoTransformations,None,_OBMolBondIter) _OBMolBondIter.ClassDescription = new_instancemethod(_openbabel._OBMolBondIter_ClassDescription,None,_OBMolBondIter) _OBMolBondIter.GetTitle = new_instancemethod(_openbabel._OBMolBondIter_GetTitle,None,_OBMolBondIter) _OBMolBondIter.SetTitle = new_instancemethod(_openbabel._OBMolBondIter_SetTitle,None,_OBMolBondIter) _OBMolBondIter.HasData = new_instancemethod(_openbabel._OBMolBondIter_HasData,None,_OBMolBondIter) _OBMolBondIter.DeleteData = new_instancemethod(_openbabel._OBMolBondIter_DeleteData,None,_OBMolBondIter) _OBMolBondIter.CloneData = new_instancemethod(_openbabel._OBMolBondIter_CloneData,None,_OBMolBondIter) _OBMolBondIter.DataSize = new_instancemethod(_openbabel._OBMolBondIter_DataSize,None,_OBMolBondIter) _OBMolBondIter.GetData = new_instancemethod(_openbabel._OBMolBondIter_GetData,None,_OBMolBondIter) _OBMolBondIter.GetAllData = new_instancemethod(_openbabel._OBMolBondIter_GetAllData,None,_OBMolBondIter) _OBMolBondIter.BeginData = new_instancemethod(_openbabel._OBMolBondIter_BeginData,None,_OBMolBondIter) _OBMolBondIter.EndData = new_instancemethod(_openbabel._OBMolBondIter_EndData,None,_OBMolBondIter) _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)) __swig_destroy__ = _openbabel.delete__OBAtomAtomIter def __nonzero__(self): return _openbabel._OBAtomAtomIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBAtomAtomIter_Visit_get, _openbabel._OBAtomAtomIter_Visit_set) _OBAtomAtomIter.inc = new_instancemethod(_openbabel._OBAtomAtomIter_inc,None,_OBAtomAtomIter) _OBAtomAtomIter.__deref__ = new_instancemethod(_openbabel._OBAtomAtomIter___deref__,None,_OBAtomAtomIter) _OBAtomAtomIter.__ref__ = new_instancemethod(_openbabel._OBAtomAtomIter___ref__,None,_OBAtomAtomIter) _OBAtomAtomIter.__eq__ = new_instancemethod(_openbabel._OBAtomAtomIter___eq__,None,_OBAtomAtomIter) _OBAtomAtomIter.Duplicate = new_instancemethod(_openbabel._OBAtomAtomIter_Duplicate,None,_OBAtomAtomIter) _OBAtomAtomIter.SetIdx = new_instancemethod(_openbabel._OBAtomAtomIter_SetIdx,None,_OBAtomAtomIter) _OBAtomAtomIter.SetId = new_instancemethod(_openbabel._OBAtomAtomIter_SetId,None,_OBAtomAtomIter) _OBAtomAtomIter.SetHyb = new_instancemethod(_openbabel._OBAtomAtomIter_SetHyb,None,_OBAtomAtomIter) _OBAtomAtomIter.SetAtomicNum = new_instancemethod(_openbabel._OBAtomAtomIter_SetAtomicNum,None,_OBAtomAtomIter) _OBAtomAtomIter.SetIsotope = new_instancemethod(_openbabel._OBAtomAtomIter_SetIsotope,None,_OBAtomAtomIter) _OBAtomAtomIter.SetImplicitValence = new_instancemethod(_openbabel._OBAtomAtomIter_SetImplicitValence,None,_OBAtomAtomIter) _OBAtomAtomIter.IncrementImplicitValence = new_instancemethod(_openbabel._OBAtomAtomIter_IncrementImplicitValence,None,_OBAtomAtomIter) _OBAtomAtomIter.DecrementImplicitValence = new_instancemethod(_openbabel._OBAtomAtomIter_DecrementImplicitValence,None,_OBAtomAtomIter) _OBAtomAtomIter.SetFormalCharge = new_instancemethod(_openbabel._OBAtomAtomIter_SetFormalCharge,None,_OBAtomAtomIter) _OBAtomAtomIter.SetSpinMultiplicity = new_instancemethod(_openbabel._OBAtomAtomIter_SetSpinMultiplicity,None,_OBAtomAtomIter) _OBAtomAtomIter.SetType = new_instancemethod(_openbabel._OBAtomAtomIter_SetType,None,_OBAtomAtomIter) _OBAtomAtomIter.SetPartialCharge = new_instancemethod(_openbabel._OBAtomAtomIter_SetPartialCharge,None,_OBAtomAtomIter) _OBAtomAtomIter.SetVector = new_instancemethod(_openbabel._OBAtomAtomIter_SetVector,None,_OBAtomAtomIter) _OBAtomAtomIter.SetCoordPtr = new_instancemethod(_openbabel._OBAtomAtomIter_SetCoordPtr,None,_OBAtomAtomIter) _OBAtomAtomIter.SetResidue = new_instancemethod(_openbabel._OBAtomAtomIter_SetResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.SetParent = new_instancemethod(_openbabel._OBAtomAtomIter_SetParent,None,_OBAtomAtomIter) _OBAtomAtomIter.SetAromatic = new_instancemethod(_openbabel._OBAtomAtomIter_SetAromatic,None,_OBAtomAtomIter) _OBAtomAtomIter.UnsetAromatic = new_instancemethod(_openbabel._OBAtomAtomIter_UnsetAromatic,None,_OBAtomAtomIter) _OBAtomAtomIter.SetClockwiseStereo = new_instancemethod(_openbabel._OBAtomAtomIter_SetClockwiseStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.SetAntiClockwiseStereo = new_instancemethod(_openbabel._OBAtomAtomIter_SetAntiClockwiseStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.SetPositiveStereo = new_instancemethod(_openbabel._OBAtomAtomIter_SetPositiveStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.SetNegativeStereo = new_instancemethod(_openbabel._OBAtomAtomIter_SetNegativeStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.UnsetStereo = new_instancemethod(_openbabel._OBAtomAtomIter_UnsetStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.SetInRing = new_instancemethod(_openbabel._OBAtomAtomIter_SetInRing,None,_OBAtomAtomIter) _OBAtomAtomIter.SetChiral = new_instancemethod(_openbabel._OBAtomAtomIter_SetChiral,None,_OBAtomAtomIter) _OBAtomAtomIter.ClearCoordPtr = new_instancemethod(_openbabel._OBAtomAtomIter_ClearCoordPtr,None,_OBAtomAtomIter) _OBAtomAtomIter.GetFormalCharge = new_instancemethod(_openbabel._OBAtomAtomIter_GetFormalCharge,None,_OBAtomAtomIter) _OBAtomAtomIter.GetAtomicNum = new_instancemethod(_openbabel._OBAtomAtomIter_GetAtomicNum,None,_OBAtomAtomIter) _OBAtomAtomIter.GetIsotope = new_instancemethod(_openbabel._OBAtomAtomIter_GetIsotope,None,_OBAtomAtomIter) _OBAtomAtomIter.GetSpinMultiplicity = new_instancemethod(_openbabel._OBAtomAtomIter_GetSpinMultiplicity,None,_OBAtomAtomIter) _OBAtomAtomIter.GetAtomicMass = new_instancemethod(_openbabel._OBAtomAtomIter_GetAtomicMass,None,_OBAtomAtomIter) _OBAtomAtomIter.GetExactMass = new_instancemethod(_openbabel._OBAtomAtomIter_GetExactMass,None,_OBAtomAtomIter) _OBAtomAtomIter.GetIdx = new_instancemethod(_openbabel._OBAtomAtomIter_GetIdx,None,_OBAtomAtomIter) _OBAtomAtomIter.GetIndex = new_instancemethod(_openbabel._OBAtomAtomIter_GetIndex,None,_OBAtomAtomIter) _OBAtomAtomIter.GetId = new_instancemethod(_openbabel._OBAtomAtomIter_GetId,None,_OBAtomAtomIter) _OBAtomAtomIter.GetCoordinateIdx = new_instancemethod(_openbabel._OBAtomAtomIter_GetCoordinateIdx,None,_OBAtomAtomIter) _OBAtomAtomIter.GetCIdx = new_instancemethod(_openbabel._OBAtomAtomIter_GetCIdx,None,_OBAtomAtomIter) _OBAtomAtomIter.GetValence = new_instancemethod(_openbabel._OBAtomAtomIter_GetValence,None,_OBAtomAtomIter) _OBAtomAtomIter.GetHyb = new_instancemethod(_openbabel._OBAtomAtomIter_GetHyb,None,_OBAtomAtomIter) _OBAtomAtomIter.GetImplicitValence = new_instancemethod(_openbabel._OBAtomAtomIter_GetImplicitValence,None,_OBAtomAtomIter) _OBAtomAtomIter.GetHvyValence = new_instancemethod(_openbabel._OBAtomAtomIter_GetHvyValence,None,_OBAtomAtomIter) _OBAtomAtomIter.GetHeteroValence = new_instancemethod(_openbabel._OBAtomAtomIter_GetHeteroValence,None,_OBAtomAtomIter) _OBAtomAtomIter.GetType = new_instancemethod(_openbabel._OBAtomAtomIter_GetType,None,_OBAtomAtomIter) _OBAtomAtomIter.GetX = new_instancemethod(_openbabel._OBAtomAtomIter_GetX,None,_OBAtomAtomIter) _OBAtomAtomIter.GetY = new_instancemethod(_openbabel._OBAtomAtomIter_GetY,None,_OBAtomAtomIter) _OBAtomAtomIter.GetZ = new_instancemethod(_openbabel._OBAtomAtomIter_GetZ,None,_OBAtomAtomIter) _OBAtomAtomIter.x = new_instancemethod(_openbabel._OBAtomAtomIter_x,None,_OBAtomAtomIter) _OBAtomAtomIter.y = new_instancemethod(_openbabel._OBAtomAtomIter_y,None,_OBAtomAtomIter) _OBAtomAtomIter.z = new_instancemethod(_openbabel._OBAtomAtomIter_z,None,_OBAtomAtomIter) _OBAtomAtomIter.GetCoordinate = new_instancemethod(_openbabel._OBAtomAtomIter_GetCoordinate,None,_OBAtomAtomIter) _OBAtomAtomIter.GetVector = new_instancemethod(_openbabel._OBAtomAtomIter_GetVector,None,_OBAtomAtomIter) _OBAtomAtomIter.GetPartialCharge = new_instancemethod(_openbabel._OBAtomAtomIter_GetPartialCharge,None,_OBAtomAtomIter) _OBAtomAtomIter.GetResidue = new_instancemethod(_openbabel._OBAtomAtomIter_GetResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.GetParent = new_instancemethod(_openbabel._OBAtomAtomIter_GetParent,None,_OBAtomAtomIter) _OBAtomAtomIter.GetNewBondVector = new_instancemethod(_openbabel._OBAtomAtomIter_GetNewBondVector,None,_OBAtomAtomIter) _OBAtomAtomIter.GetBond = new_instancemethod(_openbabel._OBAtomAtomIter_GetBond,None,_OBAtomAtomIter) _OBAtomAtomIter.GetNextAtom = new_instancemethod(_openbabel._OBAtomAtomIter_GetNextAtom,None,_OBAtomAtomIter) _OBAtomAtomIter.BeginBonds = new_instancemethod(_openbabel._OBAtomAtomIter_BeginBonds,None,_OBAtomAtomIter) _OBAtomAtomIter.EndBonds = new_instancemethod(_openbabel._OBAtomAtomIter_EndBonds,None,_OBAtomAtomIter) _OBAtomAtomIter.BeginBond = new_instancemethod(_openbabel._OBAtomAtomIter_BeginBond,None,_OBAtomAtomIter) _OBAtomAtomIter.NextBond = new_instancemethod(_openbabel._OBAtomAtomIter_NextBond,None,_OBAtomAtomIter) _OBAtomAtomIter.BeginNbrAtom = new_instancemethod(_openbabel._OBAtomAtomIter_BeginNbrAtom,None,_OBAtomAtomIter) _OBAtomAtomIter.NextNbrAtom = new_instancemethod(_openbabel._OBAtomAtomIter_NextNbrAtom,None,_OBAtomAtomIter) _OBAtomAtomIter.GetDistance = new_instancemethod(_openbabel._OBAtomAtomIter_GetDistance,None,_OBAtomAtomIter) _OBAtomAtomIter.GetAngle = new_instancemethod(_openbabel._OBAtomAtomIter_GetAngle,None,_OBAtomAtomIter) _OBAtomAtomIter.NewResidue = new_instancemethod(_openbabel._OBAtomAtomIter_NewResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.AddResidue = new_instancemethod(_openbabel._OBAtomAtomIter_AddResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.DeleteResidue = new_instancemethod(_openbabel._OBAtomAtomIter_DeleteResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.AddBond = new_instancemethod(_openbabel._OBAtomAtomIter_AddBond,None,_OBAtomAtomIter) _OBAtomAtomIter.InsertBond = new_instancemethod(_openbabel._OBAtomAtomIter_InsertBond,None,_OBAtomAtomIter) _OBAtomAtomIter.DeleteBond = new_instancemethod(_openbabel._OBAtomAtomIter_DeleteBond,None,_OBAtomAtomIter) _OBAtomAtomIter.ClearBond = new_instancemethod(_openbabel._OBAtomAtomIter_ClearBond,None,_OBAtomAtomIter) _OBAtomAtomIter.HtoMethyl = new_instancemethod(_openbabel._OBAtomAtomIter_HtoMethyl,None,_OBAtomAtomIter) _OBAtomAtomIter.SetHybAndGeom = new_instancemethod(_openbabel._OBAtomAtomIter_SetHybAndGeom,None,_OBAtomAtomIter) _OBAtomAtomIter.ForceNoH = new_instancemethod(_openbabel._OBAtomAtomIter_ForceNoH,None,_OBAtomAtomIter) _OBAtomAtomIter.HasNoHForced = new_instancemethod(_openbabel._OBAtomAtomIter_HasNoHForced,None,_OBAtomAtomIter) _OBAtomAtomIter.ForceImplH = new_instancemethod(_openbabel._OBAtomAtomIter_ForceImplH,None,_OBAtomAtomIter) _OBAtomAtomIter.HasImplHForced = new_instancemethod(_openbabel._OBAtomAtomIter_HasImplHForced,None,_OBAtomAtomIter) _OBAtomAtomIter.CountFreeOxygens = new_instancemethod(_openbabel._OBAtomAtomIter_CountFreeOxygens,None,_OBAtomAtomIter) _OBAtomAtomIter.ImplicitHydrogenCount = new_instancemethod(_openbabel._OBAtomAtomIter_ImplicitHydrogenCount,None,_OBAtomAtomIter) _OBAtomAtomIter.ExplicitHydrogenCount = new_instancemethod(_openbabel._OBAtomAtomIter_ExplicitHydrogenCount,None,_OBAtomAtomIter) _OBAtomAtomIter.MemberOfRingCount = new_instancemethod(_openbabel._OBAtomAtomIter_MemberOfRingCount,None,_OBAtomAtomIter) _OBAtomAtomIter.MemberOfRingSize = new_instancemethod(_openbabel._OBAtomAtomIter_MemberOfRingSize,None,_OBAtomAtomIter) _OBAtomAtomIter.CountRingBonds = new_instancemethod(_openbabel._OBAtomAtomIter_CountRingBonds,None,_OBAtomAtomIter) _OBAtomAtomIter.SmallestBondAngle = new_instancemethod(_openbabel._OBAtomAtomIter_SmallestBondAngle,None,_OBAtomAtomIter) _OBAtomAtomIter.AverageBondAngle = new_instancemethod(_openbabel._OBAtomAtomIter_AverageBondAngle,None,_OBAtomAtomIter) _OBAtomAtomIter.BOSum = new_instancemethod(_openbabel._OBAtomAtomIter_BOSum,None,_OBAtomAtomIter) _OBAtomAtomIter.KBOSum = new_instancemethod(_openbabel._OBAtomAtomIter_KBOSum,None,_OBAtomAtomIter) _OBAtomAtomIter.HasResidue = new_instancemethod(_openbabel._OBAtomAtomIter_HasResidue,None,_OBAtomAtomIter) _OBAtomAtomIter.IsHydrogen = new_instancemethod(_openbabel._OBAtomAtomIter_IsHydrogen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsCarbon = new_instancemethod(_openbabel._OBAtomAtomIter_IsCarbon,None,_OBAtomAtomIter) _OBAtomAtomIter.IsNitrogen = new_instancemethod(_openbabel._OBAtomAtomIter_IsNitrogen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsOxygen = new_instancemethod(_openbabel._OBAtomAtomIter_IsOxygen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsSulfur = new_instancemethod(_openbabel._OBAtomAtomIter_IsSulfur,None,_OBAtomAtomIter) _OBAtomAtomIter.IsPhosphorus = new_instancemethod(_openbabel._OBAtomAtomIter_IsPhosphorus,None,_OBAtomAtomIter) _OBAtomAtomIter.IsAromatic = new_instancemethod(_openbabel._OBAtomAtomIter_IsAromatic,None,_OBAtomAtomIter) _OBAtomAtomIter.IsInRing = new_instancemethod(_openbabel._OBAtomAtomIter_IsInRing,None,_OBAtomAtomIter) _OBAtomAtomIter.IsInRingSize = new_instancemethod(_openbabel._OBAtomAtomIter_IsInRingSize,None,_OBAtomAtomIter) _OBAtomAtomIter.IsHeteroatom = new_instancemethod(_openbabel._OBAtomAtomIter_IsHeteroatom,None,_OBAtomAtomIter) _OBAtomAtomIter.IsNotCorH = new_instancemethod(_openbabel._OBAtomAtomIter_IsNotCorH,None,_OBAtomAtomIter) _OBAtomAtomIter.IsConnected = new_instancemethod(_openbabel._OBAtomAtomIter_IsConnected,None,_OBAtomAtomIter) _OBAtomAtomIter.IsOneThree = new_instancemethod(_openbabel._OBAtomAtomIter_IsOneThree,None,_OBAtomAtomIter) _OBAtomAtomIter.IsOneFour = new_instancemethod(_openbabel._OBAtomAtomIter_IsOneFour,None,_OBAtomAtomIter) _OBAtomAtomIter.IsCarboxylOxygen = new_instancemethod(_openbabel._OBAtomAtomIter_IsCarboxylOxygen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsPhosphateOxygen = new_instancemethod(_openbabel._OBAtomAtomIter_IsPhosphateOxygen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsSulfateOxygen = new_instancemethod(_openbabel._OBAtomAtomIter_IsSulfateOxygen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsNitroOxygen = new_instancemethod(_openbabel._OBAtomAtomIter_IsNitroOxygen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsAmideNitrogen = new_instancemethod(_openbabel._OBAtomAtomIter_IsAmideNitrogen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsPolarHydrogen = new_instancemethod(_openbabel._OBAtomAtomIter_IsPolarHydrogen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsNonPolarHydrogen = new_instancemethod(_openbabel._OBAtomAtomIter_IsNonPolarHydrogen,None,_OBAtomAtomIter) _OBAtomAtomIter.IsAromaticNOxide = new_instancemethod(_openbabel._OBAtomAtomIter_IsAromaticNOxide,None,_OBAtomAtomIter) _OBAtomAtomIter.IsChiral = new_instancemethod(_openbabel._OBAtomAtomIter_IsChiral,None,_OBAtomAtomIter) _OBAtomAtomIter.IsAxial = new_instancemethod(_openbabel._OBAtomAtomIter_IsAxial,None,_OBAtomAtomIter) _OBAtomAtomIter.IsClockwise = new_instancemethod(_openbabel._OBAtomAtomIter_IsClockwise,None,_OBAtomAtomIter) _OBAtomAtomIter.IsAntiClockwise = new_instancemethod(_openbabel._OBAtomAtomIter_IsAntiClockwise,None,_OBAtomAtomIter) _OBAtomAtomIter.IsPositiveStereo = new_instancemethod(_openbabel._OBAtomAtomIter_IsPositiveStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.IsNegativeStereo = new_instancemethod(_openbabel._OBAtomAtomIter_IsNegativeStereo,None,_OBAtomAtomIter) _OBAtomAtomIter.HasChiralitySpecified = new_instancemethod(_openbabel._OBAtomAtomIter_HasChiralitySpecified,None,_OBAtomAtomIter) _OBAtomAtomIter.HasChiralVolume = new_instancemethod(_openbabel._OBAtomAtomIter_HasChiralVolume,None,_OBAtomAtomIter) _OBAtomAtomIter.IsHbondAcceptor = new_instancemethod(_openbabel._OBAtomAtomIter_IsHbondAcceptor,None,_OBAtomAtomIter) _OBAtomAtomIter.IsHbondDonor = new_instancemethod(_openbabel._OBAtomAtomIter_IsHbondDonor,None,_OBAtomAtomIter) _OBAtomAtomIter.IsHbondDonorH = new_instancemethod(_openbabel._OBAtomAtomIter_IsHbondDonorH,None,_OBAtomAtomIter) _OBAtomAtomIter.HasAlphaBetaUnsat = new_instancemethod(_openbabel._OBAtomAtomIter_HasAlphaBetaUnsat,None,_OBAtomAtomIter) _OBAtomAtomIter.HasBondOfOrder = new_instancemethod(_openbabel._OBAtomAtomIter_HasBondOfOrder,None,_OBAtomAtomIter) _OBAtomAtomIter.CountBondsOfOrder = new_instancemethod(_openbabel._OBAtomAtomIter_CountBondsOfOrder,None,_OBAtomAtomIter) _OBAtomAtomIter.HasNonSingleBond = new_instancemethod(_openbabel._OBAtomAtomIter_HasNonSingleBond,None,_OBAtomAtomIter) _OBAtomAtomIter.HasSingleBond = new_instancemethod(_openbabel._OBAtomAtomIter_HasSingleBond,None,_OBAtomAtomIter) _OBAtomAtomIter.HasDoubleBond = new_instancemethod(_openbabel._OBAtomAtomIter_HasDoubleBond,None,_OBAtomAtomIter) _OBAtomAtomIter.HasAromaticBond = new_instancemethod(_openbabel._OBAtomAtomIter_HasAromaticBond,None,_OBAtomAtomIter) _OBAtomAtomIter.MatchesSMARTS = new_instancemethod(_openbabel._OBAtomAtomIter_MatchesSMARTS,None,_OBAtomAtomIter) _OBAtomAtomIter.Clear = new_instancemethod(_openbabel._OBAtomAtomIter_Clear,None,_OBAtomAtomIter) _OBAtomAtomIter.DoTransformations = new_instancemethod(_openbabel._OBAtomAtomIter_DoTransformations,None,_OBAtomAtomIter) _OBAtomAtomIter.ClassDescription = new_instancemethod(_openbabel._OBAtomAtomIter_ClassDescription,None,_OBAtomAtomIter) _OBAtomAtomIter.GetTitle = new_instancemethod(_openbabel._OBAtomAtomIter_GetTitle,None,_OBAtomAtomIter) _OBAtomAtomIter.SetTitle = new_instancemethod(_openbabel._OBAtomAtomIter_SetTitle,None,_OBAtomAtomIter) _OBAtomAtomIter.HasData = new_instancemethod(_openbabel._OBAtomAtomIter_HasData,None,_OBAtomAtomIter) _OBAtomAtomIter.DeleteData = new_instancemethod(_openbabel._OBAtomAtomIter_DeleteData,None,_OBAtomAtomIter) _OBAtomAtomIter.CloneData = new_instancemethod(_openbabel._OBAtomAtomIter_CloneData,None,_OBAtomAtomIter) _OBAtomAtomIter.DataSize = new_instancemethod(_openbabel._OBAtomAtomIter_DataSize,None,_OBAtomAtomIter) _OBAtomAtomIter.GetData = new_instancemethod(_openbabel._OBAtomAtomIter_GetData,None,_OBAtomAtomIter) _OBAtomAtomIter.GetAllData = new_instancemethod(_openbabel._OBAtomAtomIter_GetAllData,None,_OBAtomAtomIter) _OBAtomAtomIter.BeginData = new_instancemethod(_openbabel._OBAtomAtomIter_BeginData,None,_OBAtomAtomIter) _OBAtomAtomIter.EndData = new_instancemethod(_openbabel._OBAtomAtomIter_EndData,None,_OBAtomAtomIter) _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)) __swig_destroy__ = _openbabel.delete__OBAtomBondIter def __nonzero__(self): return _openbabel._OBAtomBondIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBAtomBondIter_Visit_get, _openbabel._OBAtomBondIter_Visit_set) _OBAtomBondIter.inc = new_instancemethod(_openbabel._OBAtomBondIter_inc,None,_OBAtomBondIter) _OBAtomBondIter.__deref__ = new_instancemethod(_openbabel._OBAtomBondIter___deref__,None,_OBAtomBondIter) _OBAtomBondIter.__ref__ = new_instancemethod(_openbabel._OBAtomBondIter___ref__,None,_OBAtomBondIter) _OBAtomBondIter.SetIdx = new_instancemethod(_openbabel._OBAtomBondIter_SetIdx,None,_OBAtomBondIter) _OBAtomBondIter.SetId = new_instancemethod(_openbabel._OBAtomBondIter_SetId,None,_OBAtomBondIter) _OBAtomBondIter.SetBO = new_instancemethod(_openbabel._OBAtomBondIter_SetBO,None,_OBAtomBondIter) _OBAtomBondIter.SetBondOrder = new_instancemethod(_openbabel._OBAtomBondIter_SetBondOrder,None,_OBAtomBondIter) _OBAtomBondIter.SetBegin = new_instancemethod(_openbabel._OBAtomBondIter_SetBegin,None,_OBAtomBondIter) _OBAtomBondIter.SetEnd = new_instancemethod(_openbabel._OBAtomBondIter_SetEnd,None,_OBAtomBondIter) _OBAtomBondIter.SetParent = new_instancemethod(_openbabel._OBAtomBondIter_SetParent,None,_OBAtomBondIter) _OBAtomBondIter.SetLength = new_instancemethod(_openbabel._OBAtomBondIter_SetLength,None,_OBAtomBondIter) _OBAtomBondIter.Set = new_instancemethod(_openbabel._OBAtomBondIter_Set,None,_OBAtomBondIter) _OBAtomBondIter.SetKSingle = new_instancemethod(_openbabel._OBAtomBondIter_SetKSingle,None,_OBAtomBondIter) _OBAtomBondIter.SetKDouble = new_instancemethod(_openbabel._OBAtomBondIter_SetKDouble,None,_OBAtomBondIter) _OBAtomBondIter.SetKTriple = new_instancemethod(_openbabel._OBAtomBondIter_SetKTriple,None,_OBAtomBondIter) _OBAtomBondIter.SetAromatic = new_instancemethod(_openbabel._OBAtomBondIter_SetAromatic,None,_OBAtomBondIter) _OBAtomBondIter.SetWedge = new_instancemethod(_openbabel._OBAtomBondIter_SetWedge,None,_OBAtomBondIter) _OBAtomBondIter.SetHash = new_instancemethod(_openbabel._OBAtomBondIter_SetHash,None,_OBAtomBondIter) _OBAtomBondIter.SetWedgeOrHash = new_instancemethod(_openbabel._OBAtomBondIter_SetWedgeOrHash,None,_OBAtomBondIter) _OBAtomBondIter.SetUp = new_instancemethod(_openbabel._OBAtomBondIter_SetUp,None,_OBAtomBondIter) _OBAtomBondIter.SetDown = new_instancemethod(_openbabel._OBAtomBondIter_SetDown,None,_OBAtomBondIter) _OBAtomBondIter.SetInRing = new_instancemethod(_openbabel._OBAtomBondIter_SetInRing,None,_OBAtomBondIter) _OBAtomBondIter.SetClosure = new_instancemethod(_openbabel._OBAtomBondIter_SetClosure,None,_OBAtomBondIter) _OBAtomBondIter.UnsetHash = new_instancemethod(_openbabel._OBAtomBondIter_UnsetHash,None,_OBAtomBondIter) _OBAtomBondIter.UnsetWedge = new_instancemethod(_openbabel._OBAtomBondIter_UnsetWedge,None,_OBAtomBondIter) _OBAtomBondIter.UnsetUp = new_instancemethod(_openbabel._OBAtomBondIter_UnsetUp,None,_OBAtomBondIter) _OBAtomBondIter.UnsetDown = new_instancemethod(_openbabel._OBAtomBondIter_UnsetDown,None,_OBAtomBondIter) _OBAtomBondIter.UnsetAromatic = new_instancemethod(_openbabel._OBAtomBondIter_UnsetAromatic,None,_OBAtomBondIter) _OBAtomBondIter.UnsetKekule = new_instancemethod(_openbabel._OBAtomBondIter_UnsetKekule,None,_OBAtomBondIter) _OBAtomBondIter.GetIdx = new_instancemethod(_openbabel._OBAtomBondIter_GetIdx,None,_OBAtomBondIter) _OBAtomBondIter.GetId = new_instancemethod(_openbabel._OBAtomBondIter_GetId,None,_OBAtomBondIter) _OBAtomBondIter.GetBO = new_instancemethod(_openbabel._OBAtomBondIter_GetBO,None,_OBAtomBondIter) _OBAtomBondIter.GetBondOrder = new_instancemethod(_openbabel._OBAtomBondIter_GetBondOrder,None,_OBAtomBondIter) _OBAtomBondIter.GetFlags = new_instancemethod(_openbabel._OBAtomBondIter_GetFlags,None,_OBAtomBondIter) _OBAtomBondIter.GetBeginAtomIdx = new_instancemethod(_openbabel._OBAtomBondIter_GetBeginAtomIdx,None,_OBAtomBondIter) _OBAtomBondIter.GetEndAtomIdx = new_instancemethod(_openbabel._OBAtomBondIter_GetEndAtomIdx,None,_OBAtomBondIter) _OBAtomBondIter.GetBeginAtom = new_instancemethod(_openbabel._OBAtomBondIter_GetBeginAtom,None,_OBAtomBondIter) _OBAtomBondIter.GetEndAtom = new_instancemethod(_openbabel._OBAtomBondIter_GetEndAtom,None,_OBAtomBondIter) _OBAtomBondIter.GetNbrAtom = new_instancemethod(_openbabel._OBAtomBondIter_GetNbrAtom,None,_OBAtomBondIter) _OBAtomBondIter.GetParent = new_instancemethod(_openbabel._OBAtomBondIter_GetParent,None,_OBAtomBondIter) _OBAtomBondIter.GetEquibLength = new_instancemethod(_openbabel._OBAtomBondIter_GetEquibLength,None,_OBAtomBondIter) _OBAtomBondIter.GetLength = new_instancemethod(_openbabel._OBAtomBondIter_GetLength,None,_OBAtomBondIter) _OBAtomBondIter.GetNbrAtomIdx = new_instancemethod(_openbabel._OBAtomBondIter_GetNbrAtomIdx,None,_OBAtomBondIter) _OBAtomBondIter.FindSmallestRing = new_instancemethod(_openbabel._OBAtomBondIter_FindSmallestRing,None,_OBAtomBondIter) _OBAtomBondIter.IsAromatic = new_instancemethod(_openbabel._OBAtomBondIter_IsAromatic,None,_OBAtomBondIter) _OBAtomBondIter.IsInRing = new_instancemethod(_openbabel._OBAtomBondIter_IsInRing,None,_OBAtomBondIter) _OBAtomBondIter.IsRotor = new_instancemethod(_openbabel._OBAtomBondIter_IsRotor,None,_OBAtomBondIter) _OBAtomBondIter.IsAmide = new_instancemethod(_openbabel._OBAtomBondIter_IsAmide,None,_OBAtomBondIter) _OBAtomBondIter.IsPrimaryAmide = new_instancemethod(_openbabel._OBAtomBondIter_IsPrimaryAmide,None,_OBAtomBondIter) _OBAtomBondIter.IsSecondaryAmide = new_instancemethod(_openbabel._OBAtomBondIter_IsSecondaryAmide,None,_OBAtomBondIter) _OBAtomBondIter.IsTertiaryAmide = new_instancemethod(_openbabel._OBAtomBondIter_IsTertiaryAmide,None,_OBAtomBondIter) _OBAtomBondIter.IsEster = new_instancemethod(_openbabel._OBAtomBondIter_IsEster,None,_OBAtomBondIter) _OBAtomBondIter.IsCarbonyl = new_instancemethod(_openbabel._OBAtomBondIter_IsCarbonyl,None,_OBAtomBondIter) _OBAtomBondIter.IsSingle = new_instancemethod(_openbabel._OBAtomBondIter_IsSingle,None,_OBAtomBondIter) _OBAtomBondIter.IsDouble = new_instancemethod(_openbabel._OBAtomBondIter_IsDouble,None,_OBAtomBondIter) _OBAtomBondIter.IsTriple = new_instancemethod(_openbabel._OBAtomBondIter_IsTriple,None,_OBAtomBondIter) _OBAtomBondIter.IsKSingle = new_instancemethod(_openbabel._OBAtomBondIter_IsKSingle,None,_OBAtomBondIter) _OBAtomBondIter.IsKDouble = new_instancemethod(_openbabel._OBAtomBondIter_IsKDouble,None,_OBAtomBondIter) _OBAtomBondIter.IsKTriple = new_instancemethod(_openbabel._OBAtomBondIter_IsKTriple,None,_OBAtomBondIter) _OBAtomBondIter.IsClosure = new_instancemethod(_openbabel._OBAtomBondIter_IsClosure,None,_OBAtomBondIter) _OBAtomBondIter.IsUp = new_instancemethod(_openbabel._OBAtomBondIter_IsUp,None,_OBAtomBondIter) _OBAtomBondIter.IsDown = new_instancemethod(_openbabel._OBAtomBondIter_IsDown,None,_OBAtomBondIter) _OBAtomBondIter.IsWedge = new_instancemethod(_openbabel._OBAtomBondIter_IsWedge,None,_OBAtomBondIter) _OBAtomBondIter.IsHash = new_instancemethod(_openbabel._OBAtomBondIter_IsHash,None,_OBAtomBondIter) _OBAtomBondIter.IsWedgeOrHash = new_instancemethod(_openbabel._OBAtomBondIter_IsWedgeOrHash,None,_OBAtomBondIter) _OBAtomBondIter.IsCisOrTrans = new_instancemethod(_openbabel._OBAtomBondIter_IsCisOrTrans,None,_OBAtomBondIter) _OBAtomBondIter.IsDoubleBondGeometry = new_instancemethod(_openbabel._OBAtomBondIter_IsDoubleBondGeometry,None,_OBAtomBondIter) _OBAtomBondIter.Clear = new_instancemethod(_openbabel._OBAtomBondIter_Clear,None,_OBAtomBondIter) _OBAtomBondIter.DoTransformations = new_instancemethod(_openbabel._OBAtomBondIter_DoTransformations,None,_OBAtomBondIter) _OBAtomBondIter.ClassDescription = new_instancemethod(_openbabel._OBAtomBondIter_ClassDescription,None,_OBAtomBondIter) _OBAtomBondIter.GetTitle = new_instancemethod(_openbabel._OBAtomBondIter_GetTitle,None,_OBAtomBondIter) _OBAtomBondIter.SetTitle = new_instancemethod(_openbabel._OBAtomBondIter_SetTitle,None,_OBAtomBondIter) _OBAtomBondIter.HasData = new_instancemethod(_openbabel._OBAtomBondIter_HasData,None,_OBAtomBondIter) _OBAtomBondIter.DeleteData = new_instancemethod(_openbabel._OBAtomBondIter_DeleteData,None,_OBAtomBondIter) _OBAtomBondIter.CloneData = new_instancemethod(_openbabel._OBAtomBondIter_CloneData,None,_OBAtomBondIter) _OBAtomBondIter.DataSize = new_instancemethod(_openbabel._OBAtomBondIter_DataSize,None,_OBAtomBondIter) _OBAtomBondIter.GetData = new_instancemethod(_openbabel._OBAtomBondIter_GetData,None,_OBAtomBondIter) _OBAtomBondIter.GetAllData = new_instancemethod(_openbabel._OBAtomBondIter_GetAllData,None,_OBAtomBondIter) _OBAtomBondIter.BeginData = new_instancemethod(_openbabel._OBAtomBondIter_BeginData,None,_OBAtomBondIter) _OBAtomBondIter.EndData = new_instancemethod(_openbabel._OBAtomBondIter_EndData,None,_OBAtomBondIter) _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)) __swig_destroy__ = _openbabel.delete__OBResidueIter def __nonzero__(self): return _openbabel._OBResidueIter___nonzero__(self) __bool__ = __nonzero__ _OBResidueIter.inc = new_instancemethod(_openbabel._OBResidueIter_inc,None,_OBResidueIter) _OBResidueIter.__deref__ = new_instancemethod(_openbabel._OBResidueIter___deref__,None,_OBResidueIter) _OBResidueIter.__ref__ = new_instancemethod(_openbabel._OBResidueIter___ref__,None,_OBResidueIter) _OBResidueIter.AddAtom = new_instancemethod(_openbabel._OBResidueIter_AddAtom,None,_OBResidueIter) _OBResidueIter.InsertAtom = new_instancemethod(_openbabel._OBResidueIter_InsertAtom,None,_OBResidueIter) _OBResidueIter.RemoveAtom = new_instancemethod(_openbabel._OBResidueIter_RemoveAtom,None,_OBResidueIter) _OBResidueIter.SetName = new_instancemethod(_openbabel._OBResidueIter_SetName,None,_OBResidueIter) _OBResidueIter.SetNum = new_instancemethod(_openbabel._OBResidueIter_SetNum,None,_OBResidueIter) _OBResidueIter.SetChain = new_instancemethod(_openbabel._OBResidueIter_SetChain,None,_OBResidueIter) _OBResidueIter.SetChainNum = new_instancemethod(_openbabel._OBResidueIter_SetChainNum,None,_OBResidueIter) _OBResidueIter.SetIdx = new_instancemethod(_openbabel._OBResidueIter_SetIdx,None,_OBResidueIter) _OBResidueIter.SetAtomID = new_instancemethod(_openbabel._OBResidueIter_SetAtomID,None,_OBResidueIter) _OBResidueIter.SetHetAtom = new_instancemethod(_openbabel._OBResidueIter_SetHetAtom,None,_OBResidueIter) _OBResidueIter.SetSerialNum = new_instancemethod(_openbabel._OBResidueIter_SetSerialNum,None,_OBResidueIter) _OBResidueIter.GetName = new_instancemethod(_openbabel._OBResidueIter_GetName,None,_OBResidueIter) _OBResidueIter.GetNum = new_instancemethod(_openbabel._OBResidueIter_GetNum,None,_OBResidueIter) _OBResidueIter.GetNumString = new_instancemethod(_openbabel._OBResidueIter_GetNumString,None,_OBResidueIter) _OBResidueIter.GetNumAtoms = new_instancemethod(_openbabel._OBResidueIter_GetNumAtoms,None,_OBResidueIter) _OBResidueIter.GetChain = new_instancemethod(_openbabel._OBResidueIter_GetChain,None,_OBResidueIter) _OBResidueIter.GetChainNum = new_instancemethod(_openbabel._OBResidueIter_GetChainNum,None,_OBResidueIter) _OBResidueIter.GetIdx = new_instancemethod(_openbabel._OBResidueIter_GetIdx,None,_OBResidueIter) _OBResidueIter.GetResKey = new_instancemethod(_openbabel._OBResidueIter_GetResKey,None,_OBResidueIter) _OBResidueIter.GetAtoms = new_instancemethod(_openbabel._OBResidueIter_GetAtoms,None,_OBResidueIter) _OBResidueIter.GetBonds = new_instancemethod(_openbabel._OBResidueIter_GetBonds,None,_OBResidueIter) _OBResidueIter.GetAtomID = new_instancemethod(_openbabel._OBResidueIter_GetAtomID,None,_OBResidueIter) _OBResidueIter.GetSerialNum = new_instancemethod(_openbabel._OBResidueIter_GetSerialNum,None,_OBResidueIter) _OBResidueIter.GetAminoAcidProperty = new_instancemethod(_openbabel._OBResidueIter_GetAminoAcidProperty,None,_OBResidueIter) _OBResidueIter.GetAtomProperty = new_instancemethod(_openbabel._OBResidueIter_GetAtomProperty,None,_OBResidueIter) _OBResidueIter.GetResidueProperty = new_instancemethod(_openbabel._OBResidueIter_GetResidueProperty,None,_OBResidueIter) _OBResidueIter.IsHetAtom = new_instancemethod(_openbabel._OBResidueIter_IsHetAtom,None,_OBResidueIter) _OBResidueIter.IsResidueType = new_instancemethod(_openbabel._OBResidueIter_IsResidueType,None,_OBResidueIter) _OBResidueIter.BeginAtoms = new_instancemethod(_openbabel._OBResidueIter_BeginAtoms,None,_OBResidueIter) _OBResidueIter.EndAtoms = new_instancemethod(_openbabel._OBResidueIter_EndAtoms,None,_OBResidueIter) _OBResidueIter.BeginAtom = new_instancemethod(_openbabel._OBResidueIter_BeginAtom,None,_OBResidueIter) _OBResidueIter.NextAtom = new_instancemethod(_openbabel._OBResidueIter_NextAtom,None,_OBResidueIter) _OBResidueIter.Clear = new_instancemethod(_openbabel._OBResidueIter_Clear,None,_OBResidueIter) _OBResidueIter.DoTransformations = new_instancemethod(_openbabel._OBResidueIter_DoTransformations,None,_OBResidueIter) _OBResidueIter.ClassDescription = new_instancemethod(_openbabel._OBResidueIter_ClassDescription,None,_OBResidueIter) _OBResidueIter.GetTitle = new_instancemethod(_openbabel._OBResidueIter_GetTitle,None,_OBResidueIter) _OBResidueIter.SetTitle = new_instancemethod(_openbabel._OBResidueIter_SetTitle,None,_OBResidueIter) _OBResidueIter.HasData = new_instancemethod(_openbabel._OBResidueIter_HasData,None,_OBResidueIter) _OBResidueIter.DeleteData = new_instancemethod(_openbabel._OBResidueIter_DeleteData,None,_OBResidueIter) _OBResidueIter.CloneData = new_instancemethod(_openbabel._OBResidueIter_CloneData,None,_OBResidueIter) _OBResidueIter.DataSize = new_instancemethod(_openbabel._OBResidueIter_DataSize,None,_OBResidueIter) _OBResidueIter.GetData = new_instancemethod(_openbabel._OBResidueIter_GetData,None,_OBResidueIter) _OBResidueIter.GetAllData = new_instancemethod(_openbabel._OBResidueIter_GetAllData,None,_OBResidueIter) _OBResidueIter.BeginData = new_instancemethod(_openbabel._OBResidueIter_BeginData,None,_OBResidueIter) _OBResidueIter.EndData = new_instancemethod(_openbabel._OBResidueIter_EndData,None,_OBResidueIter) _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)) __swig_destroy__ = _openbabel.delete__OBResidueAtomIter def __nonzero__(self): return _openbabel._OBResidueAtomIter___nonzero__(self) __bool__ = __nonzero__ Visit = _swig_property(_openbabel._OBResidueAtomIter_Visit_get, _openbabel._OBResidueAtomIter_Visit_set) _OBResidueAtomIter.inc = new_instancemethod(_openbabel._OBResidueAtomIter_inc,None,_OBResidueAtomIter) _OBResidueAtomIter.__deref__ = new_instancemethod(_openbabel._OBResidueAtomIter___deref__,None,_OBResidueAtomIter) _OBResidueAtomIter.__ref__ = new_instancemethod(_openbabel._OBResidueAtomIter___ref__,None,_OBResidueAtomIter) _OBResidueAtomIter.__eq__ = new_instancemethod(_openbabel._OBResidueAtomIter___eq__,None,_OBResidueAtomIter) _OBResidueAtomIter.Duplicate = new_instancemethod(_openbabel._OBResidueAtomIter_Duplicate,None,_OBResidueAtomIter) _OBResidueAtomIter.SetIdx = new_instancemethod(_openbabel._OBResidueAtomIter_SetIdx,None,_OBResidueAtomIter) _OBResidueAtomIter.SetId = new_instancemethod(_openbabel._OBResidueAtomIter_SetId,None,_OBResidueAtomIter) _OBResidueAtomIter.SetHyb = new_instancemethod(_openbabel._OBResidueAtomIter_SetHyb,None,_OBResidueAtomIter) _OBResidueAtomIter.SetAtomicNum = new_instancemethod(_openbabel._OBResidueAtomIter_SetAtomicNum,None,_OBResidueAtomIter) _OBResidueAtomIter.SetIsotope = new_instancemethod(_openbabel._OBResidueAtomIter_SetIsotope,None,_OBResidueAtomIter) _OBResidueAtomIter.SetImplicitValence = new_instancemethod(_openbabel._OBResidueAtomIter_SetImplicitValence,None,_OBResidueAtomIter) _OBResidueAtomIter.IncrementImplicitValence = new_instancemethod(_openbabel._OBResidueAtomIter_IncrementImplicitValence,None,_OBResidueAtomIter) _OBResidueAtomIter.DecrementImplicitValence = new_instancemethod(_openbabel._OBResidueAtomIter_DecrementImplicitValence,None,_OBResidueAtomIter) _OBResidueAtomIter.SetFormalCharge = new_instancemethod(_openbabel._OBResidueAtomIter_SetFormalCharge,None,_OBResidueAtomIter) _OBResidueAtomIter.SetSpinMultiplicity = new_instancemethod(_openbabel._OBResidueAtomIter_SetSpinMultiplicity,None,_OBResidueAtomIter) _OBResidueAtomIter.SetType = new_instancemethod(_openbabel._OBResidueAtomIter_SetType,None,_OBResidueAtomIter) _OBResidueAtomIter.SetPartialCharge = new_instancemethod(_openbabel._OBResidueAtomIter_SetPartialCharge,None,_OBResidueAtomIter) _OBResidueAtomIter.SetVector = new_instancemethod(_openbabel._OBResidueAtomIter_SetVector,None,_OBResidueAtomIter) _OBResidueAtomIter.SetCoordPtr = new_instancemethod(_openbabel._OBResidueAtomIter_SetCoordPtr,None,_OBResidueAtomIter) _OBResidueAtomIter.SetResidue = new_instancemethod(_openbabel._OBResidueAtomIter_SetResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.SetParent = new_instancemethod(_openbabel._OBResidueAtomIter_SetParent,None,_OBResidueAtomIter) _OBResidueAtomIter.SetAromatic = new_instancemethod(_openbabel._OBResidueAtomIter_SetAromatic,None,_OBResidueAtomIter) _OBResidueAtomIter.UnsetAromatic = new_instancemethod(_openbabel._OBResidueAtomIter_UnsetAromatic,None,_OBResidueAtomIter) _OBResidueAtomIter.SetClockwiseStereo = new_instancemethod(_openbabel._OBResidueAtomIter_SetClockwiseStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.SetAntiClockwiseStereo = new_instancemethod(_openbabel._OBResidueAtomIter_SetAntiClockwiseStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.SetPositiveStereo = new_instancemethod(_openbabel._OBResidueAtomIter_SetPositiveStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.SetNegativeStereo = new_instancemethod(_openbabel._OBResidueAtomIter_SetNegativeStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.UnsetStereo = new_instancemethod(_openbabel._OBResidueAtomIter_UnsetStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.SetInRing = new_instancemethod(_openbabel._OBResidueAtomIter_SetInRing,None,_OBResidueAtomIter) _OBResidueAtomIter.SetChiral = new_instancemethod(_openbabel._OBResidueAtomIter_SetChiral,None,_OBResidueAtomIter) _OBResidueAtomIter.ClearCoordPtr = new_instancemethod(_openbabel._OBResidueAtomIter_ClearCoordPtr,None,_OBResidueAtomIter) _OBResidueAtomIter.GetFormalCharge = new_instancemethod(_openbabel._OBResidueAtomIter_GetFormalCharge,None,_OBResidueAtomIter) _OBResidueAtomIter.GetAtomicNum = new_instancemethod(_openbabel._OBResidueAtomIter_GetAtomicNum,None,_OBResidueAtomIter) _OBResidueAtomIter.GetIsotope = new_instancemethod(_openbabel._OBResidueAtomIter_GetIsotope,None,_OBResidueAtomIter) _OBResidueAtomIter.GetSpinMultiplicity = new_instancemethod(_openbabel._OBResidueAtomIter_GetSpinMultiplicity,None,_OBResidueAtomIter) _OBResidueAtomIter.GetAtomicMass = new_instancemethod(_openbabel._OBResidueAtomIter_GetAtomicMass,None,_OBResidueAtomIter) _OBResidueAtomIter.GetExactMass = new_instancemethod(_openbabel._OBResidueAtomIter_GetExactMass,None,_OBResidueAtomIter) _OBResidueAtomIter.GetIdx = new_instancemethod(_openbabel._OBResidueAtomIter_GetIdx,None,_OBResidueAtomIter) _OBResidueAtomIter.GetIndex = new_instancemethod(_openbabel._OBResidueAtomIter_GetIndex,None,_OBResidueAtomIter) _OBResidueAtomIter.GetId = new_instancemethod(_openbabel._OBResidueAtomIter_GetId,None,_OBResidueAtomIter) _OBResidueAtomIter.GetCoordinateIdx = new_instancemethod(_openbabel._OBResidueAtomIter_GetCoordinateIdx,None,_OBResidueAtomIter) _OBResidueAtomIter.GetCIdx = new_instancemethod(_openbabel._OBResidueAtomIter_GetCIdx,None,_OBResidueAtomIter) _OBResidueAtomIter.GetValence = new_instancemethod(_openbabel._OBResidueAtomIter_GetValence,None,_OBResidueAtomIter) _OBResidueAtomIter.GetHyb = new_instancemethod(_openbabel._OBResidueAtomIter_GetHyb,None,_OBResidueAtomIter) _OBResidueAtomIter.GetImplicitValence = new_instancemethod(_openbabel._OBResidueAtomIter_GetImplicitValence,None,_OBResidueAtomIter) _OBResidueAtomIter.GetHvyValence = new_instancemethod(_openbabel._OBResidueAtomIter_GetHvyValence,None,_OBResidueAtomIter) _OBResidueAtomIter.GetHeteroValence = new_instancemethod(_openbabel._OBResidueAtomIter_GetHeteroValence,None,_OBResidueAtomIter) _OBResidueAtomIter.GetType = new_instancemethod(_openbabel._OBResidueAtomIter_GetType,None,_OBResidueAtomIter) _OBResidueAtomIter.GetX = new_instancemethod(_openbabel._OBResidueAtomIter_GetX,None,_OBResidueAtomIter) _OBResidueAtomIter.GetY = new_instancemethod(_openbabel._OBResidueAtomIter_GetY,None,_OBResidueAtomIter) _OBResidueAtomIter.GetZ = new_instancemethod(_openbabel._OBResidueAtomIter_GetZ,None,_OBResidueAtomIter) _OBResidueAtomIter.x = new_instancemethod(_openbabel._OBResidueAtomIter_x,None,_OBResidueAtomIter) _OBResidueAtomIter.y = new_instancemethod(_openbabel._OBResidueAtomIter_y,None,_OBResidueAtomIter) _OBResidueAtomIter.z = new_instancemethod(_openbabel._OBResidueAtomIter_z,None,_OBResidueAtomIter) _OBResidueAtomIter.GetCoordinate = new_instancemethod(_openbabel._OBResidueAtomIter_GetCoordinate,None,_OBResidueAtomIter) _OBResidueAtomIter.GetVector = new_instancemethod(_openbabel._OBResidueAtomIter_GetVector,None,_OBResidueAtomIter) _OBResidueAtomIter.GetPartialCharge = new_instancemethod(_openbabel._OBResidueAtomIter_GetPartialCharge,None,_OBResidueAtomIter) _OBResidueAtomIter.GetResidue = new_instancemethod(_openbabel._OBResidueAtomIter_GetResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.GetParent = new_instancemethod(_openbabel._OBResidueAtomIter_GetParent,None,_OBResidueAtomIter) _OBResidueAtomIter.GetNewBondVector = new_instancemethod(_openbabel._OBResidueAtomIter_GetNewBondVector,None,_OBResidueAtomIter) _OBResidueAtomIter.GetBond = new_instancemethod(_openbabel._OBResidueAtomIter_GetBond,None,_OBResidueAtomIter) _OBResidueAtomIter.GetNextAtom = new_instancemethod(_openbabel._OBResidueAtomIter_GetNextAtom,None,_OBResidueAtomIter) _OBResidueAtomIter.BeginBonds = new_instancemethod(_openbabel._OBResidueAtomIter_BeginBonds,None,_OBResidueAtomIter) _OBResidueAtomIter.EndBonds = new_instancemethod(_openbabel._OBResidueAtomIter_EndBonds,None,_OBResidueAtomIter) _OBResidueAtomIter.BeginBond = new_instancemethod(_openbabel._OBResidueAtomIter_BeginBond,None,_OBResidueAtomIter) _OBResidueAtomIter.NextBond = new_instancemethod(_openbabel._OBResidueAtomIter_NextBond,None,_OBResidueAtomIter) _OBResidueAtomIter.BeginNbrAtom = new_instancemethod(_openbabel._OBResidueAtomIter_BeginNbrAtom,None,_OBResidueAtomIter) _OBResidueAtomIter.NextNbrAtom = new_instancemethod(_openbabel._OBResidueAtomIter_NextNbrAtom,None,_OBResidueAtomIter) _OBResidueAtomIter.GetDistance = new_instancemethod(_openbabel._OBResidueAtomIter_GetDistance,None,_OBResidueAtomIter) _OBResidueAtomIter.GetAngle = new_instancemethod(_openbabel._OBResidueAtomIter_GetAngle,None,_OBResidueAtomIter) _OBResidueAtomIter.NewResidue = new_instancemethod(_openbabel._OBResidueAtomIter_NewResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.AddResidue = new_instancemethod(_openbabel._OBResidueAtomIter_AddResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.DeleteResidue = new_instancemethod(_openbabel._OBResidueAtomIter_DeleteResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.AddBond = new_instancemethod(_openbabel._OBResidueAtomIter_AddBond,None,_OBResidueAtomIter) _OBResidueAtomIter.InsertBond = new_instancemethod(_openbabel._OBResidueAtomIter_InsertBond,None,_OBResidueAtomIter) _OBResidueAtomIter.DeleteBond = new_instancemethod(_openbabel._OBResidueAtomIter_DeleteBond,None,_OBResidueAtomIter) _OBResidueAtomIter.ClearBond = new_instancemethod(_openbabel._OBResidueAtomIter_ClearBond,None,_OBResidueAtomIter) _OBResidueAtomIter.HtoMethyl = new_instancemethod(_openbabel._OBResidueAtomIter_HtoMethyl,None,_OBResidueAtomIter) _OBResidueAtomIter.SetHybAndGeom = new_instancemethod(_openbabel._OBResidueAtomIter_SetHybAndGeom,None,_OBResidueAtomIter) _OBResidueAtomIter.ForceNoH = new_instancemethod(_openbabel._OBResidueAtomIter_ForceNoH,None,_OBResidueAtomIter) _OBResidueAtomIter.HasNoHForced = new_instancemethod(_openbabel._OBResidueAtomIter_HasNoHForced,None,_OBResidueAtomIter) _OBResidueAtomIter.ForceImplH = new_instancemethod(_openbabel._OBResidueAtomIter_ForceImplH,None,_OBResidueAtomIter) _OBResidueAtomIter.HasImplHForced = new_instancemethod(_openbabel._OBResidueAtomIter_HasImplHForced,None,_OBResidueAtomIter) _OBResidueAtomIter.CountFreeOxygens = new_instancemethod(_openbabel._OBResidueAtomIter_CountFreeOxygens,None,_OBResidueAtomIter) _OBResidueAtomIter.ImplicitHydrogenCount = new_instancemethod(_openbabel._OBResidueAtomIter_ImplicitHydrogenCount,None,_OBResidueAtomIter) _OBResidueAtomIter.ExplicitHydrogenCount = new_instancemethod(_openbabel._OBResidueAtomIter_ExplicitHydrogenCount,None,_OBResidueAtomIter) _OBResidueAtomIter.MemberOfRingCount = new_instancemethod(_openbabel._OBResidueAtomIter_MemberOfRingCount,None,_OBResidueAtomIter) _OBResidueAtomIter.MemberOfRingSize = new_instancemethod(_openbabel._OBResidueAtomIter_MemberOfRingSize,None,_OBResidueAtomIter) _OBResidueAtomIter.CountRingBonds = new_instancemethod(_openbabel._OBResidueAtomIter_CountRingBonds,None,_OBResidueAtomIter) _OBResidueAtomIter.SmallestBondAngle = new_instancemethod(_openbabel._OBResidueAtomIter_SmallestBondAngle,None,_OBResidueAtomIter) _OBResidueAtomIter.AverageBondAngle = new_instancemethod(_openbabel._OBResidueAtomIter_AverageBondAngle,None,_OBResidueAtomIter) _OBResidueAtomIter.BOSum = new_instancemethod(_openbabel._OBResidueAtomIter_BOSum,None,_OBResidueAtomIter) _OBResidueAtomIter.KBOSum = new_instancemethod(_openbabel._OBResidueAtomIter_KBOSum,None,_OBResidueAtomIter) _OBResidueAtomIter.HasResidue = new_instancemethod(_openbabel._OBResidueAtomIter_HasResidue,None,_OBResidueAtomIter) _OBResidueAtomIter.IsHydrogen = new_instancemethod(_openbabel._OBResidueAtomIter_IsHydrogen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsCarbon = new_instancemethod(_openbabel._OBResidueAtomIter_IsCarbon,None,_OBResidueAtomIter) _OBResidueAtomIter.IsNitrogen = new_instancemethod(_openbabel._OBResidueAtomIter_IsNitrogen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsOxygen = new_instancemethod(_openbabel._OBResidueAtomIter_IsOxygen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsSulfur = new_instancemethod(_openbabel._OBResidueAtomIter_IsSulfur,None,_OBResidueAtomIter) _OBResidueAtomIter.IsPhosphorus = new_instancemethod(_openbabel._OBResidueAtomIter_IsPhosphorus,None,_OBResidueAtomIter) _OBResidueAtomIter.IsAromatic = new_instancemethod(_openbabel._OBResidueAtomIter_IsAromatic,None,_OBResidueAtomIter) _OBResidueAtomIter.IsInRing = new_instancemethod(_openbabel._OBResidueAtomIter_IsInRing,None,_OBResidueAtomIter) _OBResidueAtomIter.IsInRingSize = new_instancemethod(_openbabel._OBResidueAtomIter_IsInRingSize,None,_OBResidueAtomIter) _OBResidueAtomIter.IsHeteroatom = new_instancemethod(_openbabel._OBResidueAtomIter_IsHeteroatom,None,_OBResidueAtomIter) _OBResidueAtomIter.IsNotCorH = new_instancemethod(_openbabel._OBResidueAtomIter_IsNotCorH,None,_OBResidueAtomIter) _OBResidueAtomIter.IsConnected = new_instancemethod(_openbabel._OBResidueAtomIter_IsConnected,None,_OBResidueAtomIter) _OBResidueAtomIter.IsOneThree = new_instancemethod(_openbabel._OBResidueAtomIter_IsOneThree,None,_OBResidueAtomIter) _OBResidueAtomIter.IsOneFour = new_instancemethod(_openbabel._OBResidueAtomIter_IsOneFour,None,_OBResidueAtomIter) _OBResidueAtomIter.IsCarboxylOxygen = new_instancemethod(_openbabel._OBResidueAtomIter_IsCarboxylOxygen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsPhosphateOxygen = new_instancemethod(_openbabel._OBResidueAtomIter_IsPhosphateOxygen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsSulfateOxygen = new_instancemethod(_openbabel._OBResidueAtomIter_IsSulfateOxygen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsNitroOxygen = new_instancemethod(_openbabel._OBResidueAtomIter_IsNitroOxygen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsAmideNitrogen = new_instancemethod(_openbabel._OBResidueAtomIter_IsAmideNitrogen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsPolarHydrogen = new_instancemethod(_openbabel._OBResidueAtomIter_IsPolarHydrogen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsNonPolarHydrogen = new_instancemethod(_openbabel._OBResidueAtomIter_IsNonPolarHydrogen,None,_OBResidueAtomIter) _OBResidueAtomIter.IsAromaticNOxide = new_instancemethod(_openbabel._OBResidueAtomIter_IsAromaticNOxide,None,_OBResidueAtomIter) _OBResidueAtomIter.IsChiral = new_instancemethod(_openbabel._OBResidueAtomIter_IsChiral,None,_OBResidueAtomIter) _OBResidueAtomIter.IsAxial = new_instancemethod(_openbabel._OBResidueAtomIter_IsAxial,None,_OBResidueAtomIter) _OBResidueAtomIter.IsClockwise = new_instancemethod(_openbabel._OBResidueAtomIter_IsClockwise,None,_OBResidueAtomIter) _OBResidueAtomIter.IsAntiClockwise = new_instancemethod(_openbabel._OBResidueAtomIter_IsAntiClockwise,None,_OBResidueAtomIter) _OBResidueAtomIter.IsPositiveStereo = new_instancemethod(_openbabel._OBResidueAtomIter_IsPositiveStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.IsNegativeStereo = new_instancemethod(_openbabel._OBResidueAtomIter_IsNegativeStereo,None,_OBResidueAtomIter) _OBResidueAtomIter.HasChiralitySpecified = new_instancemethod(_openbabel._OBResidueAtomIter_HasChiralitySpecified,None,_OBResidueAtomIter) _OBResidueAtomIter.HasChiralVolume = new_instancemethod(_openbabel._OBResidueAtomIter_HasChiralVolume,None,_OBResidueAtomIter) _OBResidueAtomIter.IsHbondAcceptor = new_instancemethod(_openbabel._OBResidueAtomIter_IsHbondAcceptor,None,_OBResidueAtomIter) _OBResidueAtomIter.IsHbondDonor = new_instancemethod(_openbabel._OBResidueAtomIter_IsHbondDonor,None,_OBResidueAtomIter) _OBResidueAtomIter.IsHbondDonorH = new_instancemethod(_openbabel._OBResidueAtomIter_IsHbondDonorH,None,_OBResidueAtomIter) _OBResidueAtomIter.HasAlphaBetaUnsat = new_instancemethod(_openbabel._OBResidueAtomIter_HasAlphaBetaUnsat,None,_OBResidueAtomIter) _OBResidueAtomIter.HasBondOfOrder = new_instancemethod(_openbabel._OBResidueAtomIter_HasBondOfOrder,None,_OBResidueAtomIter) _OBResidueAtomIter.CountBondsOfOrder = new_instancemethod(_openbabel._OBResidueAtomIter_CountBondsOfOrder,None,_OBResidueAtomIter) _OBResidueAtomIter.HasNonSingleBond = new_instancemethod(_openbabel._OBResidueAtomIter_HasNonSingleBond,None,_OBResidueAtomIter) _OBResidueAtomIter.HasSingleBond = new_instancemethod(_openbabel._OBResidueAtomIter_HasSingleBond,None,_OBResidueAtomIter) _OBResidueAtomIter.HasDoubleBond = new_instancemethod(_openbabel._OBResidueAtomIter_HasDoubleBond,None,_OBResidueAtomIter) _OBResidueAtomIter.HasAromaticBond = new_instancemethod(_openbabel._OBResidueAtomIter_HasAromaticBond,None,_OBResidueAtomIter) _OBResidueAtomIter.MatchesSMARTS = new_instancemethod(_openbabel._OBResidueAtomIter_MatchesSMARTS,None,_OBResidueAtomIter) _OBResidueAtomIter.Clear = new_instancemethod(_openbabel._OBResidueAtomIter_Clear,None,_OBResidueAtomIter) _OBResidueAtomIter.DoTransformations = new_instancemethod(_openbabel._OBResidueAtomIter_DoTransformations,None,_OBResidueAtomIter) _OBResidueAtomIter.ClassDescription = new_instancemethod(_openbabel._OBResidueAtomIter_ClassDescription,None,_OBResidueAtomIter) _OBResidueAtomIter.GetTitle = new_instancemethod(_openbabel._OBResidueAtomIter_GetTitle,None,_OBResidueAtomIter) _OBResidueAtomIter.SetTitle = new_instancemethod(_openbabel._OBResidueAtomIter_SetTitle,None,_OBResidueAtomIter) _OBResidueAtomIter.HasData = new_instancemethod(_openbabel._OBResidueAtomIter_HasData,None,_OBResidueAtomIter) _OBResidueAtomIter.DeleteData = new_instancemethod(_openbabel._OBResidueAtomIter_DeleteData,None,_OBResidueAtomIter) _OBResidueAtomIter.CloneData = new_instancemethod(_openbabel._OBResidueAtomIter_CloneData,None,_OBResidueAtomIter) _OBResidueAtomIter.DataSize = new_instancemethod(_openbabel._OBResidueAtomIter_DataSize,None,_OBResidueAtomIter) _OBResidueAtomIter.GetData = new_instancemethod(_openbabel._OBResidueAtomIter_GetData,None,_OBResidueAtomIter) _OBResidueAtomIter.GetAllData = new_instancemethod(_openbabel._OBResidueAtomIter_GetAllData,None,_OBResidueAtomIter) _OBResidueAtomIter.BeginData = new_instancemethod(_openbabel._OBResidueAtomIter_BeginData,None,_OBResidueAtomIter) _OBResidueAtomIter.EndData = new_instancemethod(_openbabel._OBResidueAtomIter_EndData,None,_OBResidueAtomIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolAngleIter def __nonzero__(self): return _openbabel._OBMolAngleIter___nonzero__(self) __bool__ = __nonzero__ _OBMolAngleIter.inc = new_instancemethod(_openbabel._OBMolAngleIter_inc,None,_OBMolAngleIter) _OBMolAngleIter.__ref__ = new_instancemethod(_openbabel._OBMolAngleIter___ref__,None,_OBMolAngleIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolTorsionIter def __nonzero__(self): return _openbabel._OBMolTorsionIter___nonzero__(self) __bool__ = __nonzero__ _OBMolTorsionIter.inc = new_instancemethod(_openbabel._OBMolTorsionIter_inc,None,_OBMolTorsionIter) _OBMolTorsionIter.__ref__ = new_instancemethod(_openbabel._OBMolTorsionIter___ref__,None,_OBMolTorsionIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolPairIter def __nonzero__(self): return _openbabel._OBMolPairIter___nonzero__(self) __bool__ = __nonzero__ _OBMolPairIter.inc = new_instancemethod(_openbabel._OBMolPairIter_inc,None,_OBMolPairIter) _OBMolPairIter.__ref__ = new_instancemethod(_openbabel._OBMolPairIter___ref__,None,_OBMolPairIter) _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)) __swig_destroy__ = _openbabel.delete__OBMolRingIter def __nonzero__(self): return _openbabel._OBMolRingIter___nonzero__(self) __bool__ = __nonzero__ ring_id = _swig_property(_openbabel._OBMolRingIter_ring_id_get, _openbabel._OBMolRingIter_ring_id_set) _path = _swig_property(_openbabel._OBMolRingIter__path_get, _openbabel._OBMolRingIter__path_set) _pathset = _swig_property(_openbabel._OBMolRingIter__pathset_get, _openbabel._OBMolRingIter__pathset_set) _OBMolRingIter.inc = new_instancemethod(_openbabel._OBMolRingIter_inc,None,_OBMolRingIter) _OBMolRingIter.__deref__ = new_instancemethod(_openbabel._OBMolRingIter___deref__,None,_OBMolRingIter) _OBMolRingIter.__ref__ = new_instancemethod(_openbabel._OBMolRingIter___ref__,None,_OBMolRingIter) _OBMolRingIter.Size = new_instancemethod(_openbabel._OBMolRingIter_Size,None,_OBMolRingIter) _OBMolRingIter.PathSize = new_instancemethod(_openbabel._OBMolRingIter_PathSize,None,_OBMolRingIter) _OBMolRingIter.IsAromatic = new_instancemethod(_openbabel._OBMolRingIter_IsAromatic,None,_OBMolRingIter) _OBMolRingIter.SetType = new_instancemethod(_openbabel._OBMolRingIter_SetType,None,_OBMolRingIter) _OBMolRingIter.GetType = new_instancemethod(_openbabel._OBMolRingIter_GetType,None,_OBMolRingIter) _OBMolRingIter.GetRootAtom = new_instancemethod(_openbabel._OBMolRingIter_GetRootAtom,None,_OBMolRingIter) _OBMolRingIter.IsMember = new_instancemethod(_openbabel._OBMolRingIter_IsMember,None,_OBMolRingIter) _OBMolRingIter.IsInRing = new_instancemethod(_openbabel._OBMolRingIter_IsInRing,None,_OBMolRingIter) _OBMolRingIter.SetParent = new_instancemethod(_openbabel._OBMolRingIter_SetParent,None,_OBMolRingIter) _OBMolRingIter.GetParent = new_instancemethod(_openbabel._OBMolRingIter_GetParent,None,_OBMolRingIter) _OBMolRingIter.findCenterAndNormal = new_instancemethod(_openbabel._OBMolRingIter_findCenterAndNormal,None,_OBMolRingIter) _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 if not self.iter.__bool__(): self.finished = True def __iter__(self): return self def __next__(self): return self.next() def next(self): if not self.finished: b = self.iter.__ref__() self.iter.inc() if not self.iter.__bool__(): # There is nothing left to iterate over self.finished = True return b else: raise StopIteration class OBIterWithDepth(OBIter): def next(self): if not self.finished: b = self.iter.__ref__() depth = self.iter.CurrentDepth() self.iter.inc() if not self.iter.__bool__(): # There is nothing left to iterate over self.finished = True return b, depth 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(OBIterWithDepth): """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 frompointer = staticmethod(_openbabel.doubleArray_frompointer) doubleArray.__getitem__ = new_instancemethod(_openbabel.doubleArray___getitem__,None,doubleArray) doubleArray.__setitem__ = new_instancemethod(_openbabel.doubleArray___setitem__,None,doubleArray) doubleArray.cast = new_instancemethod(_openbabel.doubleArray_cast,None,doubleArray) doubleArray_swigregister = _openbabel.doubleArray_swigregister doubleArray_swigregister(doubleArray) def doubleArray_frompointer(*args): return _openbabel.doubleArray_frompointer(*args) 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 obErrorLog = cvar.obErrorLog ttab = cvar.ttab etab = cvar.etab isotab = cvar.isotab atomtyper = cvar.atomtyper aromtyper = cvar.aromtyper def exception(*args): raise Exception("Use OBMol.CloneData instead. OBMol.SetData is only for use from C++.") OBMol.SetData = exception class OBTetraNonPlanarStereo(OBStereoBase): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBTetraNonPlanarStereo OBTetraNonPlanarStereo_swigregister = _openbabel.OBTetraNonPlanarStereo_swigregister OBTetraNonPlanarStereo_swigregister(OBTetraNonPlanarStereo) class OBTetraPlanarStereo(OBStereoBase): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract") __repr__ = _swig_repr __swig_destroy__ = _openbabel.delete_OBTetraPlanarStereo OBTetraPlanarStereo_swigregister = _openbabel.OBTetraPlanarStereo_swigregister OBTetraPlanarStereo_swigregister(OBTetraPlanarStereo) class OBTetrahedralStereo(OBTetraNonPlanarStereo): 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.OBTetrahedralStereo_swiginit(self,_openbabel.new_OBTetrahedralStereo(*args)) __swig_destroy__ = _openbabel.delete_OBTetrahedralStereo OBTetrahedralStereo.IsValid = new_instancemethod(_openbabel.OBTetrahedralStereo_IsValid,None,OBTetrahedralStereo) OBTetrahedralStereo.__eq__ = new_instancemethod(_openbabel.OBTetrahedralStereo___eq__,None,OBTetrahedralStereo) OBTetrahedralStereo.__ne__ = new_instancemethod(_openbabel.OBTetrahedralStereo___ne__,None,OBTetrahedralStereo) OBTetrahedralStereo.SetConfig = new_instancemethod(_openbabel.OBTetrahedralStereo_SetConfig,None,OBTetrahedralStereo) OBTetrahedralStereo.GetConfig = new_instancemethod(_openbabel.OBTetrahedralStereo_GetConfig,None,OBTetrahedralStereo) OBTetrahedralStereo_swigregister = _openbabel.OBTetrahedralStereo_swigregister OBTetrahedralStereo_swigregister(OBTetrahedralStereo) class OBCisTransStereo(OBTetraPlanarStereo): 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.OBCisTransStereo_swiginit(self,_openbabel.new_OBCisTransStereo(*args)) __swig_destroy__ = _openbabel.delete_OBCisTransStereo OBCisTransStereo.IsValid = new_instancemethod(_openbabel.OBCisTransStereo_IsValid,None,OBCisTransStereo) OBCisTransStereo.__eq__ = new_instancemethod(_openbabel.OBCisTransStereo___eq__,None,OBCisTransStereo) OBCisTransStereo.__ne__ = new_instancemethod(_openbabel.OBCisTransStereo___ne__,None,OBCisTransStereo) OBCisTransStereo.IsOnSameAtom = new_instancemethod(_openbabel.OBCisTransStereo_IsOnSameAtom,None,OBCisTransStereo) OBCisTransStereo.IsTrans = new_instancemethod(_openbabel.OBCisTransStereo_IsTrans,None,OBCisTransStereo) OBCisTransStereo.IsCis = new_instancemethod(_openbabel.OBCisTransStereo_IsCis,None,OBCisTransStereo) OBCisTransStereo.GetTransRef = new_instancemethod(_openbabel.OBCisTransStereo_GetTransRef,None,OBCisTransStereo) OBCisTransStereo.GetCisRef = new_instancemethod(_openbabel.OBCisTransStereo_GetCisRef,None,OBCisTransStereo) OBCisTransStereo.SetConfig = new_instancemethod(_openbabel.OBCisTransStereo_SetConfig,None,OBCisTransStereo) OBCisTransStereo.GetConfig = new_instancemethod(_openbabel.OBCisTransStereo_GetConfig,None,OBCisTransStereo) OBCisTransStereo_swigregister = _openbabel.OBCisTransStereo_swigregister OBCisTransStereo_swigregister(OBCisTransStereo) class OBSquarePlanarStereo(OBTetraPlanarStereo): 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.OBSquarePlanarStereo_swiginit(self,_openbabel.new_OBSquarePlanarStereo(*args)) __swig_destroy__ = _openbabel.delete_OBSquarePlanarStereo OBSquarePlanarStereo.IsValid = new_instancemethod(_openbabel.OBSquarePlanarStereo_IsValid,None,OBSquarePlanarStereo) OBSquarePlanarStereo.__eq__ = new_instancemethod(_openbabel.OBSquarePlanarStereo___eq__,None,OBSquarePlanarStereo) OBSquarePlanarStereo.__ne__ = new_instancemethod(_openbabel.OBSquarePlanarStereo___ne__,None,OBSquarePlanarStereo) OBSquarePlanarStereo.IsTrans = new_instancemethod(_openbabel.OBSquarePlanarStereo_IsTrans,None,OBSquarePlanarStereo) OBSquarePlanarStereo.IsCis = new_instancemethod(_openbabel.OBSquarePlanarStereo_IsCis,None,OBSquarePlanarStereo) OBSquarePlanarStereo.GetTransRef = new_instancemethod(_openbabel.OBSquarePlanarStereo_GetTransRef,None,OBSquarePlanarStereo) OBSquarePlanarStereo.GetCisRefs = new_instancemethod(_openbabel.OBSquarePlanarStereo_GetCisRefs,None,OBSquarePlanarStereo) OBSquarePlanarStereo.SetConfig = new_instancemethod(_openbabel.OBSquarePlanarStereo_SetConfig,None,OBSquarePlanarStereo) OBSquarePlanarStereo.GetConfig = new_instancemethod(_openbabel.OBSquarePlanarStereo_GetConfig,None,OBSquarePlanarStereo) OBSquarePlanarStereo_swigregister = _openbabel.OBSquarePlanarStereo_swigregister OBSquarePlanarStereo_swigregister(OBSquarePlanarStereo) class OBTetrahedralConfig(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr center = _swig_property(_openbabel.OBTetrahedralConfig_center_get, _openbabel.OBTetrahedralConfig_center_set) from_or_towards = _swig_property(_openbabel.OBTetrahedralConfig_from_or_towards_get, _openbabel.OBTetrahedralConfig_from_or_towards_set) refs = _swig_property(_openbabel.OBTetrahedralConfig_refs_get, _openbabel.OBTetrahedralConfig_refs_set) winding = _swig_property(_openbabel.OBTetrahedralConfig_winding_get, _openbabel.OBTetrahedralConfig_winding_set) view = _swig_property(_openbabel.OBTetrahedralConfig_view_get, _openbabel.OBTetrahedralConfig_view_set) specified = _swig_property(_openbabel.OBTetrahedralConfig_specified_get, _openbabel.OBTetrahedralConfig_specified_set) def __init__(self): _openbabel.OBTetrahedralConfig_swiginit(self,_openbabel.new_OBTetrahedralConfig()) __swig_destroy__ = _openbabel.delete_OBTetrahedralConfig OBTetrahedralConfig.__eq__ = new_instancemethod(_openbabel.OBTetrahedralConfig___eq__,None,OBTetrahedralConfig) OBTetrahedralConfig.__ne__ = new_instancemethod(_openbabel.OBTetrahedralConfig___ne__,None,OBTetrahedralConfig) OBTetrahedralConfig_swigregister = _openbabel.OBTetrahedralConfig_swigregister OBTetrahedralConfig_swigregister(OBTetrahedralConfig) class OBCisTransConfig(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr begin = _swig_property(_openbabel.OBCisTransConfig_begin_get, _openbabel.OBCisTransConfig_begin_set) end = _swig_property(_openbabel.OBCisTransConfig_end_get, _openbabel.OBCisTransConfig_end_set) refs = _swig_property(_openbabel.OBCisTransConfig_refs_get, _openbabel.OBCisTransConfig_refs_set) shape = _swig_property(_openbabel.OBCisTransConfig_shape_get, _openbabel.OBCisTransConfig_shape_set) specified = _swig_property(_openbabel.OBCisTransConfig_specified_get, _openbabel.OBCisTransConfig_specified_set) def __init__(self): _openbabel.OBCisTransConfig_swiginit(self,_openbabel.new_OBCisTransConfig()) __swig_destroy__ = _openbabel.delete_OBCisTransConfig OBCisTransConfig.__eq__ = new_instancemethod(_openbabel.OBCisTransConfig___eq__,None,OBCisTransConfig) OBCisTransConfig.__ne__ = new_instancemethod(_openbabel.OBCisTransConfig___ne__,None,OBCisTransConfig) OBCisTransConfig_swigregister = _openbabel.OBCisTransConfig_swigregister OBCisTransConfig_swigregister(OBCisTransConfig) class OBSquarePlanarConfig(object): thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag') __repr__ = _swig_repr center = _swig_property(_openbabel.OBSquarePlanarConfig_center_get, _openbabel.OBSquarePlanarConfig_center_set) refs = _swig_property(_openbabel.OBSquarePlanarConfig_refs_get, _openbabel.OBSquarePlanarConfig_refs_set) shape = _swig_property(_openbabel.OBSquarePlanarConfig_shape_get, _openbabel.OBSquarePlanarConfig_shape_set) specified = _swig_property(_openbabel.OBSquarePlanarConfig_specified_get, _openbabel.OBSquarePlanarConfig_specified_set) def __init__(self): _openbabel.OBSquarePlanarConfig_swiginit(self,_openbabel.new_OBSquarePlanarConfig()) __swig_destroy__ = _openbabel.delete_OBSquarePlanarConfig OBSquarePlanarConfig.__eq__ = new_instancemethod(_openbabel.OBSquarePlanarConfig___eq__,None,OBSquarePlanarConfig) OBSquarePlanarConfig.__ne__ = new_instancemethod(_openbabel.OBSquarePlanarConfig___ne__,None,OBSquarePlanarConfig) OBSquarePlanarConfig_swigregister = _openbabel.OBSquarePlanarConfig_swigregister OBSquarePlanarConfig_swigregister(OBSquarePlanarConfig)