Class NciCalculation


public class NciCalculation extends QuantumPlaneCalculation
  • Constructor Details

    • NciCalculation

      public NciCalculation()
  • Method Details

    • getNoValue

      public float getNoValue()
      Description copied from class: QuantumPlaneCalculation
      Get that value that represents "no value" so that it can be disregarded in terms of recording and reporting the min/max/mean.
      Specified by:
      getNoValue in class QuantumPlaneCalculation
      Returns:
      NO_VALUE
    • setupCalculation

      public boolean setupCalculation(VolumeData volumeData, BS bsSelected, BS bsExcluded, BS[] bsMolecules, T3[] atomCoordAngstroms, int firstAtomOffset, boolean isReducedDensity, T3[] points, float[] parameters, int testFlags)
    • createCube

      public void createCube()
      Specified by:
      createCube in class QuantumCalculation
    • initializeOnePoint

      protected void initializeOnePoint()
      Overrides:
      initializeOnePoint in class QuantumCalculation
    • getPlane

      public void getPlane(int ix, float[] yzPlane)
      Specified by:
      getPlane in class QuantumPlaneCalculation
    • process

      protected void process()
      Specified by:
      process in class QuantumCalculation
    • setPlanes

      public void setPlanes(float[][] planes)
      Raw file data planes are passed to us here from VolumeFileReader
      Specified by:
      setPlanes in class QuantumPlaneCalculation
      Parameters:
      planes -
    • calcPlane

      public void calcPlane(int x, float[] plane)
      For reduced density only; coloring is done point by point.
      Specified by:
      calcPlane in class QuantumPlaneCalculation
      Parameters:
      x -
      plane - an OUTPUT plane, to be filled here and used by MarchingCubes
    • process

      public float process(int vA, int vB, float f)
      Passing the grid points of the two ends of an edge and a fraction to this method returns the value at a triangle point. This way we do not need to calculate this for EVERY point on the grid, only the ones that are part of the surface.
      Specified by:
      process in class QuantumPlaneCalculation
      Parameters:
      vA -
      vB -
      f -
      Returns:
      value at point f-way between vA and vB