Class QueryProcessor


  • @Deprecated
    public class QueryProcessor
    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.
    Class to handle mappings of query molecule.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd
    • Constructor Detail

      • QueryProcessor

        protected QueryProcessor​(List<String> cTab1Copy,
                                 List<String> cTab2Copy,
                                 String[] signArray,
                                 int neighborBondnumA,
                                 int setBondnumA,
                                 List<Integer> iBondNeighborsA,
                                 List<String> cBondNeighborsA,
                                 int mappingSize,
                                 List<Integer> iBondSetA,
                                 List<String> cBondSetA)
        Deprecated.
        Query molecule
        Parameters:
        cTab1Copy -
        cTab2Copy -
        signArray -
        neighborBondnumA -
        setBondnumA -
        iBondNeighborsA -
        cBondNeighborsA -
        mappingSize -
        iBondSetA -
        cBondSetA -
    • Method Detail

      • process

        protected void process​(int setNumA,
                               int setNumB,
                               List<Integer> iBondSetA,
                               List<Integer> iBondSetB,
                               List<Integer> unmappedAtomsMolA,
                               List<Integer> newMapping,
                               int counter)
        Deprecated.
        Parameters:
        setNumA -
        setNumB -
        iBondSetA -
        iBondSetB -
        unmappedAtomsMolA -
        newMapping -
        counter -
      • getCTab1

        protected List<String> getCTab1()
        Deprecated.
        Returns:
        cTabQuery copy
      • getCTab2

        protected List<String> getCTab2()
        Deprecated.
        Returns:
        cTabTarget Copy
      • getNeighborBondNumA

        protected int getNeighborBondNumA()
        Deprecated.
        Returns:
        number of remaining molecule A bonds after the clique search, which are neighbors of the MCS
      • getBondNumA

        protected int getBondNumA()
        Deprecated.
        Returns:
        number of remaining molecule A bonds after the clique search, which aren't neighbors