org.openscience.cdk.smsd.labelling

Interface ICanonicalReactionLabeller

All Known Implementing Classes:

SignatureReactionCanoniser, SmilesReactionCanoniser

public interface ICanonicalReactionLabeller

Method Summary

Methods

Modifier and Type	Method and Description
IReaction	getCanonicalReaction(IReaction reaction) 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)

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