__init__() | CDPL.Chem.TopologicalAtomAlignment | |
__init__(TopologicalAtomAlignment alignment) | CDPL.Chem.TopologicalAtomAlignment | |
addEntity(Atom entity, bool first_set) | CDPL.Chem.TopologicalAtomAlignment | |
assign(TopologicalAtomAlignment alignment) | CDPL.Chem.TopologicalAtomAlignment | |
clearEntities(bool first_set) | CDPL.Chem.TopologicalAtomAlignment | |
entityMatchFunction (defined in CDPL.Chem.TopologicalAtomAlignment) | CDPL.Chem.TopologicalAtomAlignment | static |
entityPairMatchFunction (defined in CDPL.Chem.TopologicalAtomAlignment) | CDPL.Chem.TopologicalAtomAlignment | static |
getEntities(bool first_set) | CDPL.Chem.TopologicalAtomAlignment | |
getEntity(int idx, bool first_set) | CDPL.Chem.TopologicalAtomAlignment | |
getEntityMatchFunction() | CDPL.Chem.TopologicalAtomAlignment | |
getEntityPairMatchFunction() | CDPL.Chem.TopologicalAtomAlignment | |
getNumEntities(bool first_set) | CDPL.Chem.TopologicalAtomAlignment | |
getObjectID() | CDPL.Chem.TopologicalAtomAlignment | |
nextAlignment(Util.STPairArray mapping) | CDPL.Chem.TopologicalAtomAlignment | |
objectID (defined in CDPL.Chem.TopologicalAtomAlignment) | CDPL.Chem.TopologicalAtomAlignment | static |
reset() (defined in CDPL.Chem.TopologicalAtomAlignment) | CDPL.Chem.TopologicalAtomAlignment | |
setEntityMatchFunction(ForceField.InteractionFilterFunction2 func) | CDPL.Chem.TopologicalAtomAlignment | |
setEntityPairMatchFunction(ForceField.InteractionFilterFunction4 func) | CDPL.Chem.TopologicalAtomAlignment | |