org.openscience.cdk.smsd.labelling

Interface ICanonicalReactionLabeller

All Known Implementing Classes:

SignatureReactionCanoniser, SmilesReactionCanoniser

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 ICanonicalReactionLabeller

Source code:

master

Belongs to CDK module:

smsd

Method Summary

Methods

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.

Method Detail

getCanonicalReaction

IReaction getCanonicalReaction(IReaction reaction)

Deprecated.

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

Parameters:

reaction - the IReaction to be processed

Returns:

the canonical IReaction