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