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

Class TargetProperties

java.lang.Object
org.openscience.cdk.smsd.algorithm.vflib.builder.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:
Source code:
main
Belongs to CDK module:
smsd

  • Constructor Details

    • TargetProperties

      public TargetProperties(IAtomContainer container)
      Deprecated.
      Parameters:
      container -

  • Method Details

    • 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.