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

Interface IMapper

All Known Implementing Classes:
VFMapper, VFMCSMapper
@Deprecated public interface IMapper
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 mappings (mapped objects).
Author:
Syed Asad Rahman <asad@ebi.ac.uk>
Source code:
main
Belongs to CDK module:
smsd

  • Method Details

    • hasMap

      boolean hasMap(IAtomContainer molecule)
      Deprecated.
      checks if a map exits for a molecule.
      Parameters:
      molecule - molecule
      Returns:
      true/false.

    • countMaps

      int countMaps(IAtomContainer target)
      Deprecated.
      Returns solution map count.
      Parameters:
      target - target molecule.
      Returns:
      map count.

    • getMaps

      List<Map<INode,IAtom>> getMaps(IAtomContainer target)
      Deprecated.
      Returns all solution map.
      Parameters:
      target - molecule.
      Returns:
      get maps.

    • getFirstMap

      Map<INode,IAtom> getFirstMap(IAtomContainer target)
      Deprecated.
      Returns first solution map.
      Parameters:
      target - molecule.
      Returns:
      get first map.

    • hasMap

      boolean hasMap(TargetProperties molecule)
      Deprecated.
      checks if a map exits for a molecule.
      Parameters:
      molecule - molecule
      Returns:
      true/false.

    • countMaps

      int countMaps(TargetProperties target)
      Deprecated.
      Returns solution map count.
      Parameters:
      target - target molecule.
      Returns:
      map count.

    • getMaps

      List<Map<INode,IAtom>> getMaps(TargetProperties target)
      Deprecated.
      Returns all solution map.
      Parameters:
      target - molecule.
      Returns:
      get maps.

    • getFirstMap

      Map<INode,IAtom> getFirstMap(TargetProperties target)
      Deprecated.
      Returns first solution map.
      Parameters:
      target - molecule.
      Returns:
      get first map.