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

Interface IState

  • All Known Implementing Classes:
    VFState
    @Deprecated
public interface 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.
    Interface for the storing the states of the mapping in the VF algorithm.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    Source code:
    main
    Belongs to CDK module:
    smsd

    • Method Summary

      All Methods Instance Methods Abstract Methods Deprecated Methods 
      Modifier and Type Method Description
      void backTrack()
      Deprecated.
      Returns this IState's atom map to its original condition.
      Map<INode,​IAtom> getMap()
      Deprecated.
      Returns the current mapping of query atoms onto target atoms.
      boolean hasNextCandidate()
      Deprecated.
      Returns true if another candidate match can be found or false otherwise.
      boolean isDead()
      Deprecated.
      Returns true if no match will come from this IState.
      boolean isGoal()
      Deprecated.
      Returns true if all atoms in the query molecule have been mapped.
      boolean isMatchFeasible​(Match match)
      Deprecated.
      Returns true if the given match will work with the current map, or false otherwise.
      Match nextCandidate()
      Deprecated.
      Returns the next candidate match.
      IState nextState​(Match match)
      Deprecated.
      Returns a state in which the atoms in match have been added to the current mapping.

    • Method Detail

      • getMap

        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.
        Returns:
        the current mapping of query atoms onto target atoms

      • hasNextCandidate

        boolean hasNextCandidate()
        Deprecated.
        Returns true if another candidate match can be found or false otherwise.
        Returns:
        true if another candidate mapping can be found or false otherwise.

      • nextCandidate

        Match nextCandidate()
        Deprecated.
        Returns the next candidate match.
        Returns:
        the next candidate match.

      • isMatchFeasible

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

      • isGoal

        boolean isGoal()
        Deprecated.
        Returns true if all atoms in the query molecule have been mapped.
        Returns:
        true if all atoms in the query molecule have been mapped.

      • isDead

        boolean isDead()
        Deprecated.
        Returns true if no match will come from this IState.
        Returns:
        true if no match will come from this IState

      • nextState

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

      • backTrack

        void backTrack()
        Deprecated.
        Returns this IState's atom map to its original condition.