org.jmol.quantum
Class MlpCalculation

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

public class MlpCalculation
extends MepCalculation


Nested Class Summary
 
Nested classes/interfaces inherited from class org.jmol.quantum.QuantumCalculation
QuantumCalculation.QMAtom
 
Field Summary
 
Fields inherited from class org.jmol.quantum.MepCalculation
distanceMode, E_MINUS_D, E_MINUS_D_OVER_2, htAtomicPotentials, ONE_OVER_D, ONE_OVER_ONE_PLUS_D, resourceName
 
Fields inherited from class org.jmol.quantum.QuantumCalculation
atomIndex, bohr_per_angstrom, bsExcluded, countsXYZ, doDebug, firstAtomOffset, nX, nY, nZ, originBohr, points, qmAtoms, rangeBohrOrAngstroms, stepBohr, thisAtom, unitFactor, vd, volume, voxelData, X, X2, xBohr, xMax, xMin, Y, Y2, yBohr, yMax, yMin, Z, Z2, zBohr, zMax, zMin
 
Constructor Summary
MlpCalculation()
           
 
Method Summary
 void assignPotentials(Atom[] atoms, float[] potentials, java.util.BitSet bsAromatic, java.util.BitSet bsCarbonyl, java.util.BitSet bsIgnore, java.lang.String data)
           
 
Methods inherited from class org.jmol.quantum.MepCalculation
calculate, getAtomicPotentials, getTabulatedPotential, getValueAtPoint, process, setup, valueFor
 
Methods inherited from class org.jmol.quantum.QuantumCalculation
initialize, initializeOnePoint, process, processPoints, setMinMax, setupCoordinates, setXYZBohr
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

MlpCalculation

public MlpCalculation()
Method Detail

assignPotentials

public void assignPotentials(Atom[] atoms,
                             float[] potentials,
                             java.util.BitSet bsAromatic,
                             java.util.BitSet bsCarbonyl,
                             java.util.BitSet bsIgnore,
                             java.lang.String data)
Specified by:
assignPotentials in interface MepCalculationInterface
Overrides:
assignPotentials in class MepCalculation