org.jmol.api
public interface MepCalculationInterface
Modifier and Type | Method and Description |
---|---|
void |
assignPotentials(Atom[] atoms,
float[] potentials,
BitSet bsAromatic,
BitSet bsCarbonyl,
BitSet bsIgnore,
String data) |
void |
calculate(VolumeDataInterface volumeData,
BitSet bsSelected,
Point3f[] atomCoordAngstroms,
float[] charges,
int calcType) |
float |
valueFor(float x,
float d2,
int distanceMode) |
void calculate(VolumeDataInterface volumeData, BitSet bsSelected, Point3f[] atomCoordAngstroms, float[] charges, int calcType)
void assignPotentials(Atom[] atoms, float[] potentials, BitSet bsAromatic, BitSet bsCarbonyl, BitSet bsIgnore, String data)
float valueFor(float x, float d2, int distanceMode)