Class FiguerasSSSRFinder


  • public class FiguerasSSSRFinder
    extends Object
    Deprecated.
    Use SSSRFinder instead (exact algorithm).
    Finds the Smallest Set of Smallest Rings. This is an implementation of the algorithm published in [Figueras, J.. J. Chem. Inf. Comput Sci.. 1996. 36]. This implementation is kept in the CDK for historic and educational reasons. The Figueras algorithm was shown not to find the SSSR in all cases and its use is therefore discouraged.

    The SSSRFinder is encouraged to be used, providing an exact algorithm for finding the SSSR.

    Dictionary pointer(s):
    findSmallestSetOfSmallestRings_Figueras in the Blue Obelisk Chemoinformatics Dictionary [blue-obelisk:findSmallestSetOfSmallestRings_Figueras]
    Source code:
    main
    Belongs to CDK module:
    extra
    Keywords:
    smallest-set-of-rings, ring search
    • Constructor Detail

      • FiguerasSSSRFinder

        public FiguerasSSSRFinder()
        Deprecated.
    • Method Detail

      • findSSSR

        public IRingSet findSSSR​(IAtomContainer mol)
        Deprecated.
        Finds the Smallest Set of Smallest Rings.
        Parameters:
        mol - the molecule to be searched for rings
        Returns:
        a RingSet containing the rings in molecule