org.jmol.api
Interface MepCalculationInterface
- All Known Implementing Classes:
- MepCalculation, MlpCalculation
public interface MepCalculationInterface
Method Summary |
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)
|
calculate
void calculate(VolumeDataInterface volumeData,
java.util.BitSet bsSelected,
javax.vecmath.Point3f[] atomCoordAngstroms,
float[] charges,
int calcType)
assignPotentials
void assignPotentials(Atom[] atoms,
float[] potentials,
java.util.BitSet bsAromatic,
java.util.BitSet bsCarbonyl,
java.util.BitSet bsIgnore,
java.lang.String data)
valueFor
float valueFor(float x,
float d2,
int distanceMode)