Class PharmacophoreBond

All Implemented Interfaces:
Serializable, Cloneable, IBond, ICDKObject, IChemObject, IElectronContainer

public class PharmacophoreBond extends Bond
Represents a distance relationship between two pharmacophore groups.
Author:
Rajarshi Guha
See Also:
Source code:
main
Belongs to CDK module:
pcore
Keywords:
pharmacophore, 3D isomorphism
  • Constructor Details

    • PharmacophoreBond

      public PharmacophoreBond(PharmacophoreAtom patom1, PharmacophoreAtom patom2)
      Create a pharmacophore distance constraint.
      Parameters:
      patom1 - The first pharmacophore group
      patom2 - The second pharmacophore group
  • Method Details

    • get

      public static PharmacophoreBond get(IBond bond)
    • getBondLength

      public double getBondLength()
      Get the distance between the two pharmacophore groups that make up the constraint.
      Returns:
      The distance between the two groups