Chemical Data Processing Library Python API - Version 1.1.1
CDPL.ConfGen.CanonicalFragment Member List

This is the complete list of members for CDPL.ConfGen.CanonicalFragment, including all inherited members.

__contains__(Atom atom)CDPL.Chem.MolecularGraph
__contains__(Bond bond)CDPL.Chem.MolecularGraph
__contains__(Base.LookupKey key)CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__contains__(LookupKey key)CDPL.Base.PropertyContainer
__delitem__(Base.LookupKey key)CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__delitem__(LookupKey key)CDPL.Base.PropertyContainer
__getitem__(Base.LookupKey key)CDPL.Chem.MolecularGraph
CDPL::Chem::AtomContainer.__getitem__(int idx)CDPL.Chem.AtomContainer
CDPL::Chem::BondContainer.__getitem__(int idx)CDPL.Chem.BondContainer
CDPL::Base::PropertyContainer.__getitem__(LookupKey key)CDPL.Base.PropertyContainer
__init__()CDPL.ConfGen.CanonicalFragment
__init__(Chem.MolecularGraph molgraph, Chem.MolecularGraph parent)CDPL.ConfGen.CanonicalFragment
__init__(CanonicalFragment frag)CDPL.ConfGen.CanonicalFragment
__len__()CDPL.Chem.MolecularGraph
__setitem__(Base.LookupKey key, Base.Any value)CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__setitem__(LookupKey key, Any value)CDPL.Base.PropertyContainer
addProperties(PropertyContainer cntnr)CDPL.Base.PropertyContainer
assign(CanonicalFragment frag)CDPL.ConfGen.CanonicalFragment
atomMapping (defined in CDPL.ConfGen.CanonicalFragment)CDPL.ConfGen.CanonicalFragmentstatic
atoms (defined in CDPL.Chem.MolecularGraph)CDPL.Chem.MolecularGraphstatic
bonds (defined in CDPL.Chem.MolecularGraph)CDPL.Chem.MolecularGraphstatic
clear() (defined in CDPL.ConfGen.CanonicalFragment)CDPL.ConfGen.CanonicalFragment
clearProperties()CDPL.Base.PropertyContainer
clone()CDPL.Chem.MolecularGraph
containsAtom(Atom atom)CDPL.Chem.MolecularGraph
containsBond(Bond bond)CDPL.Chem.MolecularGraph
copyProperties(PropertyContainer cntnr)CDPL.Base.PropertyContainer
create(Chem.MolecularGraph molgraph, Chem.MolecularGraph parent, bool modify=True, bool strip_aro_subst=True)CDPL.ConfGen.CanonicalFragment
getAtom(int idx)CDPL.Chem.MolecularGraph
getAtomIndex(Atom atom)CDPL.Chem.MolecularGraph
getAtomMapping()CDPL.ConfGen.CanonicalFragment
getAtoms()CDPL.Chem.MolecularGraph
getBond(int idx)CDPL.Chem.MolecularGraph
getBondIndex(Bond bond)CDPL.Chem.MolecularGraph
getBonds()CDPL.Chem.MolecularGraph
getEntity(int idx)CDPL.Chem.MolecularGraph
getHashCode()CDPL.ConfGen.CanonicalFragment
getNumAtoms()CDPL.Chem.MolecularGraph
getNumBonds()CDPL.Chem.MolecularGraph
getNumEntities()CDPL.Chem.MolecularGraph
getNumProperties()CDPL.Base.PropertyContainer
getObjectID()CDPL.ConfGen.CanonicalFragment
getProperties()CDPL.Base.PropertyContainer
getProperty(LookupKey key, bool throw_=False)CDPL.Base.PropertyContainer
getPropertyKeys()CDPL.Base.PropertyContainer
getPropertyOrDefault(LookupKey key, Any def_value)CDPL.Base.PropertyContainer
getPropertyValues()CDPL.Base.PropertyContainer
hashCode (defined in CDPL.ConfGen.CanonicalFragment)CDPL.ConfGen.CanonicalFragmentstatic
isPropertySet(LookupKey key)CDPL.Base.PropertyContainer
numAtoms (defined in CDPL.Chem.AtomContainer)CDPL.Chem.AtomContainerstatic
numBonds (defined in CDPL.Chem.BondContainer)CDPL.Chem.BondContainerstatic
numEntities (defined in CDPL.Chem.Entity3DContainer)CDPL.Chem.Entity3DContainerstatic
numProperties (defined in CDPL.Base.PropertyContainer)CDPL.Base.PropertyContainerstatic
objectID (defined in CDPL.ConfGen.CanonicalFragment)CDPL.ConfGen.CanonicalFragmentstatic
orderAtoms(ForceField.InteractionFilterFunction2 func)CDPL.Chem.MolecularGraph
orderBonds(BoolBond2Functor func)CDPL.Chem.MolecularGraph
properties (defined in CDPL.Base.PropertyContainer)CDPL.Base.PropertyContainerstatic
propertyKeys (defined in CDPL.Base.PropertyContainer)CDPL.Base.PropertyContainerstatic
propertyValues (defined in CDPL.Base.PropertyContainer)CDPL.Base.PropertyContainerstatic
removeProperty(LookupKey key)CDPL.Base.PropertyContainer
setProperty(LookupKey key, Any value)CDPL.Base.PropertyContainer
swap(PropertyContainer cntnr)CDPL.Base.PropertyContainer