Class IsoMOReader

All Implemented Interfaces:
VertexDataServer

class IsoMOReader extends AtomDataReader
  • Field Details

    • random

      private Random random
    • points

      private javajs.util.P3[] points
    • vTemp

      private javajs.util.V3 vTemp
    • q

      private QuantumCalculation q
    • mos

      private javajs.util.Lst<Map<String,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
    • mo

      private Map<String,Object> mo
    • vDist

      private final float[] vDist
    • qSetupDone

      private boolean qSetupDone
  • Constructor Details

    • IsoMOReader

      IsoMOReader()
  • Method Details

    • init

      void init(SurfaceGenerator sg)
      Description copied from class: SurfaceReader
      implemented in SurfaceFileReader and
      Overrides:
      init in class VolumeDataReader
      Parameters:
      sg -
    • setup

      protected void setup(boolean isMapData)
      Overrides:
      setup in class AtomDataReader
      Parameters:
      isMapData -
    • readVolumeParameters

      protected boolean readVolumeParameters(boolean isMapData)
      Overrides:
      readVolumeParameters in class VolumeDataReader
    • fixTitleLine

      private void fixTitleLine(int iLine, Map<String,Object> mo)
    • readSurfaceData

      protected void readSurfaceData(boolean isMapData) throws Exception
      Overrides:
      readSurfaceData in class VolumeDataReader
      Throws:
      Exception
    • postProcessVertices

      protected void postProcessVertices()
      Overrides:
      postProcessVertices in class SurfaceReader
    • getValues

      private void getValues()
    • getValueAtPoint

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

      private float getRnd(float f)
    • generateCube

      protected void generateCube()
      Overrides:
      generateCube in class VolumeDataReader
    • createOrbital

      protected void createOrbital()
    • getPlane

      public float[] getPlane(int x)
      Specified by:
      getPlane in interface VertexDataServer
      Overrides:
      getPlane in class SurfaceReader
    • 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