Class IsoShapeReader

    • Field Detail

      • psi_n

        private int psi_n
      • psi_l

        private int psi_l
      • psi_m

        private int psi_m
      • psi_Znuc

        private float psi_Znuc
      • sphere_radiusAngstroms

        private float sphere_radiusAngstroms
      • monteCarloCount

        private int monteCarloCount
      • random

        private java.util.Random random
      • allowNegative

        private boolean allowNegative
      • rfactor

        private double[] rfactor
      • pfactor

        private double[] pfactor
      • ATOMIC_ORBITAL_ZERO_CUT_OFF

        private static final float ATOMIC_ORBITAL_ZERO_CUT_OFF
        See Also:
        Constant Field Values
      • radius

        private float radius
      • ptPsi

        private final javajs.util.P3 ptPsi
      • fact

        private static final float[] fact
      • psi_normalization

        private double psi_normalization
      • aoMax

        private double aoMax
      • aoMax2

        private double aoMax2
      • angMax2

        private double angMax2
      • planeU

        private javajs.util.V3 planeU
      • planeV

        private javajs.util.V3 planeV
      • planeCenter

        private javajs.util.P3 planeCenter
      • planeRadius

        private float planeRadius
      • rnl

        private double rnl
      • surfaceDone

        private boolean surfaceDone
      • nTries

        private int nTries
    • Constructor Detail

      • IsoShapeReader

        IsoShapeReader()
    • Method Detail

      • getValueAtPoint

        public float getValueAtPoint​(javajs.util.T3 pt,
                                     boolean getSource)
        Overrides:
        getValueAtPoint in class SurfaceReader
        getSource - TODO
        Returns:
        value
      • setHeader

        private void setHeader​(java.lang.String line1)
      • calcFactors

        private void calcFactors​(int n,
                                 int el,
                                 int m)
      • autoScaleOrbital

        private void autoScaleOrbital()
      • radialPart

        private double radialPart​(double r)
      • hydrogenAtomPsi

        private double hydrogenAtomPsi​(javajs.util.P3 pt)
      • angularPart

        private double angularPart​(double th,
                                   double ph,
                                   int m)
      • createMonteCarloOrbital

        private void createMonteCarloOrbital()
      • readSurfaceData

        protected void readSurfaceData​(boolean isMapData)
                                throws java.lang.Exception
        Overrides:
        readSurfaceData in class VolumeDataReader
        Throws:
        java.lang.Exception
      • createGeodesic

        private void createGeodesic()