Class LigandPose

  • All Implemented Interfaces:
    Evaluable

    public class LigandPose
    extends java.lang.Object
    implements Evaluable
    • Field Detail

      • SEED

        public static long SEED
    • Method Detail

      • getFGValue

        public double getFGValue​(double[] gradient)
        Specified by:
        getFGValue in interface Evaluable
      • updateState

        public void updateState()
      • setState

        public void setState​(double[] state)
        Specified by:
        setState in interface Evaluable
      • getState

        public double[] getState​(double[] v)
      • getGyrationRadius

        public double getGyrationRadius()
      • getState

        public double[] getState()
        Specified by:
        getState in interface Evaluable
      • randomPerturbation

        public void randomPerturbation​(java.util.Random random)
      • addPositionalConstraints

        public void addPositionalConstraints​(double d)