Class DihedralScanStep


  • @PublicAPI
    @Beta
    public class DihedralScanStep
    extends Object
    One step in a dihedral scan. Please note that this class is marked with Beta annotation, so it can be subject of incompatible changes or removal in any of the later releases.
    • Constructor Detail

      • DihedralScanStep

        public DihedralScanStep​(double angle,
                                double energy)
        Construct.
        Parameters:
        angle - Represented angle
        energy - Represented energy
    • Method Detail

      • getAngle

        public double getAngle()
        Represented angle.
        Returns:
        Bond angle
      • getEnergy

        public double getEnergy()
        Represented energy.
        Returns:
        Energy