org.openscience.cdk.smsd.labelling

Interface ICanonicalMoleculeLabeller

All Known Implementing Classes:

CanonicalLabellingAdaptor, MoleculeSignatureLabellingAdaptor

public interface ICanonicalMoleculeLabeller

Method Summary

Methods

Modifier and Type	Method and Description
IAtomContainer	getCanonicalMolecule(IAtomContainer container)
int[]	getCanonicalPermutation(IAtomContainer container)

Method Detail

getCanonicalMolecule

IAtomContainer getCanonicalMolecule(IAtomContainer container)

getCanonicalPermutation

int[] getCanonicalPermutation(IAtomContainer container)