org.openscience.cdk.smsd.labelling

Class SmilesReactionCanoniser

java.lang.Object

org.openscience.cdk.smsd.labelling.AbstractReactionLabeller

org.openscience.cdk.smsd.labelling.SmilesReactionCanoniser

All Implemented Interfaces:

ICanonicalReactionLabeller

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 SmilesReactionCanoniser
extends AbstractReactionLabeller
implements ICanonicalReactionLabeller

Source code:

master

Belongs to CDK module:

smsd

Constructor Summary

Constructors

Constructor and Description
SmilesReactionCanoniser() Deprecated.

Method Summary

Modifier and Type	Method and Description
IReaction	getCanonicalReaction(IReaction reaction) Deprecated. Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.

Methods inherited from class org.openscience.cdk.smsd.labelling.AbstractReactionLabeller

labelReaction

Methods inherited from class java.lang.Object

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

Constructor Detail

SmilesReactionCanoniser

public SmilesReactionCanoniser()

Deprecated.

Method Detail

getCanonicalReaction

public IReaction getCanonicalReaction(IReaction reaction)

Deprecated.

Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.

Specified by:

getCanonicalReaction in interface ICanonicalReactionLabeller

Parameters:

reaction - the IReaction to be processed

Returns:

the canonical IReaction