de.bioforscher.singa.structure.algorithms.molecules

Class MoleculeIsomorphismFinder

java.lang.Object

de.bioforscher.singa.structure.algorithms.molecules.MoleculeIsomorphismFinder

public class MoleculeIsomorphismFinder
extends Object

A molecule isomorphism finder based on RISubgraphFinder.

Author:

fk

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	MoleculeIsomorphismFinder.AtomConditions Predefined atom conditions for isomorphism testing.
static class	MoleculeIsomorphismFinder.BondConditions Predefined bond conditions for isomorphism testing.

Method Summary

Modifier and Type	Method and Description
static MoleculeIsomorphism	of(MoleculeGraph pattern, MoleculeGraph target)
static MoleculeIsomorphism	of(MoleculeGraph pattern, MoleculeGraph target, BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition, BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Detail

of

public static MoleculeIsomorphism of(MoleculeGraph pattern,
                                     MoleculeGraph target)

of

public static MoleculeIsomorphism of(MoleculeGraph pattern,
                                     MoleculeGraph target,
                                     BiFunction<MoleculeAtom,MoleculeAtom,Boolean> atomCondition,
                                     BiFunction<MoleculeBond,MoleculeBond,Boolean> bondCondition)