org.openscience.cdk.smsd.labelling

Class MoleculeSignatureLabellingAdaptor

java.lang.Object

org.openscience.cdk.smsd.labelling.MoleculeSignatureLabellingAdaptor

All Implemented Interfaces:

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.

@Deprecated
public class MoleculeSignatureLabellingAdaptor
extends Object
implements ICanonicalMoleculeLabeller

Source code:

master

Belongs to CDK module:

smsd

Constructor Summary

Constructors

Constructor and Description
MoleculeSignatureLabellingAdaptor() Deprecated.

Method Summary

Modifier and Type	Method and 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 Detail

MoleculeSignatureLabellingAdaptor

public MoleculeSignatureLabellingAdaptor()

Deprecated.

Method Detail

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