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

Interface IMapper

  • All Known Implementing Classes:
    VFMapper, VFMCSMapper
    @Deprecated
public interface 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.
    Interface for the mappings (mapped objects).
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd

    • Method Detail

      • hasMap

        boolean hasMap​(IAtomContainer molecule)
        Deprecated.
        checks if a map exits for a molecule.
        Parameters:
        molecule - molecule
        Returns:
        true/false.

      • countMaps

        int countMaps​(IAtomContainer target)
        Deprecated.
        Returns solution map count.
        Parameters:
        target - target molecule.
        Returns:
        map count.

      • getMaps

        List<Map<INode,​IAtom>> getMaps​(IAtomContainer target)
        Deprecated.
        Returns all solution map.
        Parameters:
        target - molecule.
        Returns:
        get maps.

      • getFirstMap

        Map<INode,​IAtom> getFirstMap​(IAtomContainer target)
        Deprecated.
        Returns first solution map.
        Parameters:
        target - molecule.
        Returns:
        get first map.

      • hasMap

        boolean hasMap​(TargetProperties molecule)
        Deprecated.
        checks if a map exits for a molecule.
        Parameters:
        molecule - molecule
        Returns:
        true/false.

      • countMaps

        int countMaps​(TargetProperties target)
        Deprecated.
        Returns solution map count.
        Parameters:
        target - target molecule.
        Returns:
        map count.

      • getFirstMap

        Map<INode,​IAtom> getFirstMap​(TargetProperties target)
        Deprecated.
        Returns first solution map.
        Parameters:
        target - molecule.
        Returns:
        get first map.