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

Class VFState

  • All Implemented Interfaces:
    IState
    @Deprecated
public class VFState
extends Object
implements IState
    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 mapping states between query and target molecules.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd

    • Constructor Detail

      • VFState

        public VFState​(IQuery query,
               TargetProperties target)
        Deprecated.
        Initialise the VFState with query and target
        Parameters:
        query -
        target -

    • Method Detail

      • backTrack

        public void backTrack()
        Deprecated.
        Returns this IState's atom map to its original condition.
        Specified by:
        backTrack in interface IState

      • getMap

        public Map<INode,​IAtom> getMap()
        Deprecated.
        Returns the current mapping of query atoms onto target atoms. This map is shared among all states obtained through nextState.
        Specified by:
        getMap in interface IState
        Returns:
        the current mapping of query atoms onto target atoms

      • hasNextCandidate

        public boolean hasNextCandidate()
        Deprecated.
        Returns true if another candidate match can be found or false otherwise.
        Specified by:
        hasNextCandidate in interface IState
        Returns:
        true if another candidate mapping can be found or false otherwise.

      • isDead

        public boolean isDead()
        Deprecated.
        Returns true if no match will come from this IState.
        Specified by:
        isDead in interface IState
        Returns:
        true if no match will come from this IState

      • isGoal

        public boolean isGoal()
        Deprecated.
        Returns true if all atoms in the query molecule have been mapped.
        Specified by:
        isGoal in interface IState
        Returns:
        true if all atoms in the query molecule have been mapped.

      • isMatchFeasible

        public boolean isMatchFeasible​(Match match)
        Deprecated.
        Returns true if the given match will work with the current map, or false otherwise.
        Specified by:
        isMatchFeasible in interface IState
        Parameters:
        match - the match to consider
        Returns:
        true if the given match will work with the current map, or false otherwise.

      • nextCandidate

        public Match nextCandidate()
        Deprecated.
        Returns the next candidate match.
        Specified by:
        nextCandidate in interface IState
        Returns:
        the next candidate match.

      • nextState

        public IState nextState​(Match match)
        Deprecated.
        Returns a state in which the atoms in match have been added to the current mapping.
        Specified by:
        nextState in interface IState
        Parameters:
        match - the match to consider.
        Returns:
        a state in which the atoms in match have been added to the current mapping.