Package org.openscience.cdk.smsd.labelling

Class MoleculeSignatureLabellingAdaptor

java.lang.Object

org.openscience.cdk.smsd.labelling.MoleculeSignatureLabellingAdaptor

All Implemented Interfaces:

ICanonicalMoleculeLabeller

@Deprecated
public class MoleculeSignatureLabellingAdaptor
extends Object
implements ICanonicalMoleculeLabeller

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.

Constructor Summary

Constructors

Constructor	Description
MoleculeSignatureLabellingAdaptor()	Deprecated.

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Details

MoleculeSignatureLabellingAdaptor

public MoleculeSignatureLabellingAdaptor()

Deprecated.

Method Details

getCanonicalMolecule

public IAtomContainer getCanonicalMolecule(IAtomContainer container)

Deprecated.

Specified by:

getCanonicalMolecule in interface ICanonicalMoleculeLabeller

getCanonicalPermutation

public int[] getCanonicalPermutation(IAtomContainer container)

Deprecated.

Specified by:

getCanonicalPermutation in interface ICanonicalMoleculeLabeller