Class PharmacophoreAngleBond

    • Constructor Detail

      • PharmacophoreAngleBond

        public PharmacophoreAngleBond​(PharmacophoreAtom patom1,
                                      PharmacophoreAtom patom2,
                                      PharmacophoreAtom patom3)
        Create a pharmacophore distance constraint.
        Parameters:
        patom1 - The first pharmacophore group
        patom2 - The second pharmacophore group
        patom3 - The third pharmacophore group
    • Method Detail

      • getBondLength

        public double getBondLength()
        Get the angle between the three pharmacophore groups that make up the constraint.
        Returns:
        The angle in degrees between the two groups