Class IsoMOReader

    • Field Detail

      • random

        private java.util.Random random
      • points

        private javajs.util.P3[] points
      • vTemp

        private javajs.util.V3 vTemp
      • mos

        private javajs.util.Lst<java.util.Map<java.lang.String,​java.lang.Object>> mos
      • isNci

        private boolean isNci
      • coef

        private float[] coef
      • dfCoefMaps

        private int[][] dfCoefMaps
      • linearCombination

        private float[] linearCombination
      • coefs

        private float[][] coefs
      • isElectronDensityCalc

        private boolean isElectronDensityCalc
      • vDist

        private final float[] vDist
      • qSetupDone

        private boolean qSetupDone
    • Constructor Detail

      • IsoMOReader

        IsoMOReader()
    • Method Detail

      • setup

        protected void setup​(boolean isMapData)
        Overrides:
        setup in class AtomDataReader
      • fixTitleLine

        private void fixTitleLine​(int iLine,
                                  java.util.Map<java.lang.String,​java.lang.Object> mo)
      • readSurfaceData

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

        private void getValues()
      • getValueAtPoint

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

        private float getRnd​(float f)
      • createOrbital

        protected void createOrbital()
      • setupCalculation

        private boolean setupCalculation()
      • getSurfacePointAndFraction

        protected float getSurfacePointAndFraction​(float cutoff,
                                                   boolean isCutoffAbsolute,
                                                   float valueA,
                                                   float valueB,
                                                   javajs.util.T3 pointA,
                                                   javajs.util.V3 edgeVector,
                                                   int x,
                                                   int y,
                                                   int z,
                                                   int vA,
                                                   int vB,
                                                   float[] fReturn,
                                                   javajs.util.T3 ptReturn)
        Overrides:
        getSurfacePointAndFraction in class SurfaceReader