Class TargetProperties

  • All Implemented Interfaces:
    Serializable

    @Deprecated
    public class TargetProperties
    extends Object
    implements Serializable
    Deprecated.
    SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.
    Class for building/storing nodes (atoms) in the graph with atom query capabilities.
    Author:
    Syed Asad Rahman <asad@ebi.ac.uk>
    See Also:
    Serialized Form
    Source code:
    main
    Belongs to CDK module:
    smsd
    • Constructor Detail

      • TargetProperties

        public TargetProperties​(IAtomContainer container)
        Deprecated.
        Parameters:
        container -
    • Method Detail

      • countNeighbors

        public Integer countNeighbors​(IAtom atom)
        Deprecated.
        Parameters:
        atom -
        Returns:
        the connectedTargetAtomCountMap
      • getNeighbors

        public List<IAtom> getNeighbors​(IAtom atom)
        Deprecated.
        Parameters:
        atom -
        Returns:
        the connected Target Atom List
      • getBond

        public IBond getBond​(IAtom atom1,
                             IAtom atom2)
        Deprecated.
        Parameters:
        atom1 -
        atom2 -
        Returns:
        the map
      • getAtomCount

        public int getAtomCount()
        Deprecated.
        Returns:
        atom count
      • getAtom

        public IAtom getAtom​(int j)
        Deprecated.