public interface MepCalculationInterface
Modifier and Type | Method and Description |
---|---|
void |
assignPotentials(Atom[] atoms,
float[] potentials,
BS bsAromatic,
BS bsCarbonyl,
BS bsIgnore,
java.lang.String data) |
void |
calculate(VolumeDataInterface volumeData,
BS bsSelected,
javajs.util.P3[] atomCoordAngstroms,
float[] charges,
int calcType) |
void |
set(Viewer vwr) |
float |
valueFor(float x,
float d2,
int distanceMode) |
void calculate(VolumeDataInterface volumeData, BS bsSelected, javajs.util.P3[] atomCoordAngstroms, float[] charges, int calcType)
void assignPotentials(Atom[] atoms, float[] potentials, BS bsAromatic, BS bsCarbonyl, BS bsIgnore, java.lang.String data)
float valueFor(float x, float d2, int distanceMode)
void set(Viewer vwr)