org.openscience.cdk.smsd.labelling

Interface ICanonicalMoleculeLabeller

All Known Implementing Classes:

CanonicalLabellingAdaptor, MoleculeSignatureLabellingAdaptor

Deprecated.

This class is part of SMSD and either duplicates functionality elsewhere in the CDK or provides public access to internal implementation details. SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

@Deprecated
public interface ICanonicalMoleculeLabeller

Source code:

master

Belongs to CDK module:

smsd

Method Summary

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

Method Detail

getCanonicalMolecule

IAtomContainer getCanonicalMolecule(IAtomContainer container)

Deprecated.

getCanonicalPermutation

int[] getCanonicalPermutation(IAtomContainer container)

Deprecated.