public class SmilesReactionCanoniser extends AbstractReactionLabeller implements ICanonicalReactionLabeller
Constructor and Description |
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SmilesReactionCanoniser() |
Modifier and Type | Method and Description |
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IReaction |
getCanonicalReaction(IReaction reaction)
Convert a reaction into a canonical form by canonizing each of the
structures in the reaction in turn.
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labelReaction
public IReaction getCanonicalReaction(IReaction reaction)
getCanonicalReaction
in interface ICanonicalReactionLabeller
reaction
- the IReaction
to be processedIReaction