Interface ICanonicalReactionLabeller

All Known Implementing Classes:
SignatureReactionCanoniser, SmilesReactionCanoniser

@Deprecated public interface 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
  • Method Summary

    Modifier and Type
    Method
    Description
    Deprecated.
    Convert a reaction into a canonical form by canonizing each of the structures in the reaction in turn.
  • Method Details

    • 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