public interface MOCalculationInterface
Modifier and Type | Method and Description |
---|---|
void |
createCube() |
float |
processPt(javajs.util.T3 pt) |
boolean |
setupCalculation(VolumeDataInterface volumeData,
BS bsSelected,
BS bsExclude,
BS[] bsMolecules,
java.lang.String calculationType,
javajs.util.T3[] atomCoordAngstroms,
int firstAtomOffset,
javajs.util.Lst<int[]> shells,
float[][] gaussians,
int[][] dfCoefMaps,
java.lang.Object slaters,
float[] moCoefficients,
float[] linearCombination,
boolean isSquaredLinear,
float[][] coefs,
float[] partialCharges,
boolean doNormalize,
javajs.util.T3[] points,
float[] parameters,
int testFlags) |
boolean setupCalculation(VolumeDataInterface volumeData, BS bsSelected, BS bsExclude, BS[] bsMolecules, java.lang.String calculationType, javajs.util.T3[] atomCoordAngstroms, int firstAtomOffset, javajs.util.Lst<int[]> shells, float[][] gaussians, int[][] dfCoefMaps, java.lang.Object slaters, float[] moCoefficients, float[] linearCombination, boolean isSquaredLinear, float[][] coefs, float[] partialCharges, boolean doNormalize, javajs.util.T3[] points, float[] parameters, int testFlags)
void createCube()
float processPt(javajs.util.T3 pt)