org.jmol.api
Interface MOCalculationInterface

All Known Implementing Classes:
MOCalculation

public interface MOCalculationInterface


Method Summary
 void calculate(VolumeDataInterface volumeData, BitSet bsSelected, String calculationType, Point3f[] atomCoordAngstroms, int firstAtomOffset, List shells, float[][] gaussians, int[][] dfCoefMaps, Object slaters, float[] moCoefficients, float[] nuclearCharges, boolean doNormalize)
           
 void calculateElectronDensity(float[] nuclearCharges)
           
 

Method Detail

calculate

void calculate(VolumeDataInterface volumeData,
               BitSet bsSelected,
               String calculationType,
               Point3f[] atomCoordAngstroms,
               int firstAtomOffset,
               List shells,
               float[][] gaussians,
               int[][] dfCoefMaps,
               Object slaters,
               float[] moCoefficients,
               float[] nuclearCharges,
               boolean doNormalize)

calculateElectronDensity

void calculateElectronDensity(float[] nuclearCharges)