Interface RingFinder

  • All Known Implementing Classes:
    HanserRingFinder

    @Deprecated
    public interface RingFinder
    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.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk> 2009-2010
    Source code:
    main
    Belongs to CDK module:
    smsd
    • Method Detail

      • findRings

        Collection<List<IAtom>> findRings​(IAtomContainer molecule)
        Deprecated.
        Returns Collection of atoms in Rings based on Hanser Ring Finding method
        Parameters:
        molecule -
        Returns:
        report collected the rings
      • getRingSet

        IRingSet getRingSet​(IAtomContainer molecule)
                     throws CDKException
        Deprecated.
        Returns CDK object Ring set based on Hanser Ring Finding method
        Parameters:
        molecule -
        Returns:
        report collected the rings
        Throws:
        CDKException