Package org.openscience.cdk.smsd.algorithm.vflib.map

Class VFMCSMapper

  • All Implemented Interfaces:
    IMapper
    @Deprecated
public class VFMCSMapper
extends Object
implements IMapper
    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 finds MCS between query and target molecules using VF2 algorithm.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd

    • Constructor Detail

      • VFMCSMapper

        public VFMCSMapper​(IQuery query)
        Deprecated.
        Parameters:
        query -

      • VFMCSMapper

        public VFMCSMapper​(IAtomContainer queryMolecule,
                   boolean bondMatcher)
        Deprecated.
        Parameters:
        queryMolecule -
        bondMatcher -

    • Method Detail

      • 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

      • hasMap

        public boolean hasMap​(IAtomContainer targetMolecule)
        Deprecated.
        checks if a map exits for a molecule.
        Specified by:
        hasMap in interface IMapper
        Parameters:
        targetMolecule - targetMolecule graph
        Returns:
        true/false.

      • countMaps

        public int countMaps​(IAtomContainer target)
        Deprecated.
        Returns solution map count.
        Specified by:
        countMaps in interface IMapper
        Parameters:
        target - target molecule.
        Returns:
        map count.

      • hasMap

        public boolean hasMap​(TargetProperties targetMolecule)
        Deprecated.
        checks if a map exits for a molecule.
        Specified by:
        hasMap in interface IMapper
        Parameters:
        targetMolecule - targetMolecule graph
        Returns:
        true/false.

      • countMaps

        public int countMaps​(TargetProperties targetMolecule)
        Deprecated.
        Returns solution map count.
        Specified by:
        countMaps in interface IMapper
        Parameters:
        targetMolecule -
        Returns:
        map count.

      • isTimeOut

        public static boolean isTimeOut()
        Deprecated.