java.lang.Object
org.openscience.cdk.smsd.algorithm.mcsplus.MCSPlus

@Deprecated public class MCSPlus extends Object
Deprecated.
SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.
This class handles MCS plus algorithm which is a combination of c-clique algorithm and McGregor algorithm.
Author:
Syed Asad Rahman <asad@ebi.ac.uk>
Source code:
main
Belongs to CDK module:
smsd
  • Constructor Details

    • MCSPlus

      public MCSPlus()
      Deprecated.
      Default constructor added
  • Method Details

    • getTimeout

      protected static double getTimeout()
      Deprecated.
      Returns:
      the timeout
    • getTimeManager

      protected static TimeManager getTimeManager()
      Deprecated.
      Returns:
      the timeManager
    • setTimeManager

      protected static void setTimeManager(TimeManager aTimeManager)
      Deprecated.
      Parameters:
      aTimeManager - the timeManager to set
    • getOverlaps

      protected List<List<Integer>> getOverlaps(IAtomContainer ac1, IAtomContainer ac2, boolean shouldMatchBonds) throws CDKException
      Deprecated.
      Parameters:
      ac1 -
      ac2 -
      shouldMatchBonds -
      Returns:
      Throws:
      CDKException
    • isTimeOut

      public static boolean isTimeOut()
      Deprecated.