Class MaxCliqueMcs

All Implemented Interfaces:

@PublicAPI 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 Details

    • MaxCliqueMcs

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

    • 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