Package org.openscience.cdk.smsd.ring

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 Summary

    Modifier and Type
    Method
    Description
    Collection<List<IAtom>>
    findRings(IAtomContainer molecule)
    Deprecated.
    Returns Collection of atoms in Rings based on Hanser Ring Finding method
    IRingSet
    getRingSet(IAtomContainer molecule)
    Deprecated.
    Returns CDK object Ring set based on Hanser Ring Finding method

  • Method Details

    • 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