Class BondConstraint

    • Constructor Summary

      Constructors 
      Constructor Description
      BondConstraint​(Conformer conf, int[] bondAtoms, double targetDistance)  
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      double getFGValue​(double[] gradient)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • BondConstraint

        public BondConstraint​(Conformer conf,
                              int[] bondAtoms,
                              double targetDistance)