Class MaxCliqueMcs

  • All Implemented Interfaces:

    public final class MaxCliqueMcs
    extends MaxCommonSubstructure
    Implements a heuristic MCS algorithm based on maximum clique detection.

    For more information and the public API, see the base class MaxCommonSubstructure.

    • Constructor Detail

      • MaxCliqueMcs

        public MaxCliqueMcs​(McsSearchOptions searchOpts)
        Creates a MaxCliqueMcs object with the specified search options.
        searchOpts - the search options.
    • Method Detail

      • findMcs

        protected McsSearchResult findMcs​( matcher)
        Finds the MCS and all related data (components and mappings).
        Specified by:
        findMcs in class MaxCommonSubstructure
        matcher - the matcher object, which also contains the preprocessed query and target molecules