Class SmilesReactionCanoniser
java.lang.Object
org.openscience.cdk.smsd.labelling.AbstractReactionLabeller
org.openscience.cdk.smsd.labelling.SmilesReactionCanoniser
- All Implemented Interfaces:
ICanonicalReactionLabeller
@Deprecated
public class SmilesReactionCanoniser
extends AbstractReactionLabeller
implements 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.
- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptiongetCanonicalReaction
(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
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Constructor Details
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SmilesReactionCanoniser
public SmilesReactionCanoniser()Deprecated.
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Method Details
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getCanonicalReaction
Deprecated.Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.- Specified by:
getCanonicalReaction
in interfaceICanonicalReactionLabeller
- Parameters:
reaction
- theIReaction
to be processed- Returns:
- the canonical
IReaction
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