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

Class VFState

java.lang.Object
org.openscience.cdk.smsd.algorithm.vflib.map.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>

  • Constructor Summary

    Constructors
    Constructor
    Description
    VFState(IQuery query, TargetProperties target)
    Deprecated.
    Initialise the VFState with query and target

  • 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.

    Methods inherited from class java.lang.Object

    clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

  • Constructor Details

    • VFState

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

  • Method Details

    • 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.