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

    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 Details

    • 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.