rmgpy.molecule.vf2.VF2

class rmgpy.molecule.vf2.VF2

An implementation of the second version of the Vento-Foggia (VF2) algorithm for graph and subgraph isomorphism.

findIsomorphism()

Return a list of dicts of all valid isomorphism mappings from graph graph1 to graph graph2 with the optional initial mapping initialMapping. If no valid isomorphisms are found, an empty list is returned.

findSubgraphIsomorphisms()

Return a list of dicts of all valid subgraph isomorphism mappings from graph graph1 to subgraph graph2 with the optional initial mapping initialMapping. If no valid subgraph isomorphisms are found, an empty list is returned.

isIsomorphic()

Return True if graph graph1 is isomorphic to graph graph2 with the optional initial mapping initialMapping, or False otherwise.

isSubgraphIsomorphic()

Return True if graph graph1 is subgraph isomorphic to subgraph graph2 with the optional initial mapping initialMapping, or False otherwise.