Class QuantumPlaneCalculation

java.lang.Object
org.jmol.quantum.QuantumCalculation
org.jmol.quantum.QuantumPlaneCalculation
Direct Known Subclasses:
NciCalculation

public abstract class QuantumPlaneCalculation extends QuantumCalculation
Allows modification of the planes prior to isosurface creation Used by Noncovalent Interaction Calculation for progressive readers
  • Constructor Details

    • QuantumPlaneCalculation

      public QuantumPlaneCalculation()
  • Method Details

    • setPlanes

      public abstract void setPlanes(float[][] planes)
      Planes to use for holding raw file data. These will be managed by VolumeFileReader, but they will be needed by the calculation.
      Parameters:
      planes - a set of four planes that shifts as the progressive Marching Cubes process moves along
    • calcPlane

      public abstract void calcPlane(int x, float[] plane)
      Fill this plane with data based on the current set of raw data planes. Really there are just two planes that are managed by VolumeFileReader and are interchanged as the Marching Cubes process moves along.
      Parameters:
      x -
      plane -
    • process

      public abstract float process(int vA, int vB, float f)
      Data mapping function to radically increase speed and reduce memory requirements of mapping data when the mapping comes from the same data set as the points, so isosurface creation and data mapping can be carried out both in the first (and only) pass.
      Parameters:
      vA - absolute pointer to vertex A on grid
      vB - absolute pointer to vertex B on grid
      f - fractional way from A to B
      Returns:
      computed value
    • getNoValue

      public abstract float getNoValue()
      Get that value that represents "no value" so that it can be disregarded in terms of recording and reporting the min/max/mean.
      Returns:
      NO_VALUE
    • getPlane

      public abstract void getPlane(int x, float[] yzPlane)