org.jmol.quantum
Class MepCalculation

java.lang.Object
  extended by org.jmol.quantum.QuantumCalculation
      extended by org.jmol.quantum.MepCalculation
All Implemented Interfaces:
MepCalculationInterface

public class MepCalculation
extends QuantumCalculation
implements MepCalculationInterface


Nested Class Summary
 
Nested classes/interfaces inherited from class org.jmol.quantum.QuantumCalculation
QuantumCalculation.QMAtom
 
Field Summary
 
Fields inherited from class org.jmol.quantum.QuantumCalculation
atomIndex, bohr_per_angstrom, doDebug, nX, nY, nZ, originBohr, qmAtoms, rangeBohr, stepBohr, thisAtom, voxelData, X, X2, xBohr, xMax, xMin, Y, Y2, yBohr, yMax, yMin, Z, Z2, zBohr, zMax, zMin
 
Constructor Summary
MepCalculation()
           
 
Method Summary
 void calculate(VolumeDataInterface volumeData, java.util.BitSet bsSelected, javax.vecmath.Point3f[] atomCoordAngstroms, float[] charges)
           
private  void processMep(float[] charges)
           
 
Methods inherited from class org.jmol.quantum.QuantumCalculation
initialize, setupCoordinates
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

MepCalculation

public MepCalculation()
Method Detail

calculate

public void calculate(VolumeDataInterface volumeData,
                      java.util.BitSet bsSelected,
                      javax.vecmath.Point3f[] atomCoordAngstroms,
                      float[] charges)
Specified by:
calculate in interface MepCalculationInterface

processMep

private void processMep(float[] charges)