org.jmol.api
Interface QuantumPlaneCalculationInterface

All Superinterfaces:
QuantumCalculationInterface
All Known Implementing Classes:
NciCalculation

public interface QuantumPlaneCalculationInterface
extends QuantumCalculationInterface

Allows modification of the planes prior to isosurface creation Used by Noncovalent Interaction Calculation for progressive readers


Method Summary
 void calcPlane(int x, float[] plane)
          Fill this plane with data based on the current set of raw data planes.
 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.
 void getPlane(int x, float[] yzPlane)
           
 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.
 void setPlanes(float[][] planes)
          Planes to use for holding raw file data.
 
Methods inherited from interface org.jmol.api.QuantumCalculationInterface
createCube, process, setupCalculation
 

Method Detail

setPlanes

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

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

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

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

void getPlane(int x,
              float[] yzPlane)