Package org.openscience.cdk.ringsearch

Class FiguerasSSSRFinder

java.lang.Object
org.openscience.cdk.ringsearch.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 Details

    • FiguerasSSSRFinder

      public FiguerasSSSRFinder()
      Deprecated.

  • Method Details

    • 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