Class MlpCalculation

    • Constructor Detail

      • MlpCalculation

        public MlpCalculation()
    • Method Detail

      • assignPotentials

        public void assignPotentials​(Atom[] atoms,
                                     float[] potentials,
                                     BS bsAromatic,
                                     BS bsCarbonyl,
                                     BS bsIgnore,
                                     java.lang.String data)
        Overrides:
        assignPotentials in class MepCalculation