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.
- Source code:
- main
- Belongs to CDK module:
- smsd
-
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.