Package etomica.molecule

Interface OrientationCalcQuaternion

All Known Implementing Classes:

OrientationCalcWater3P, OrientationCalcWater4P

public interface OrientationCalcQuaternion

OrientationCalc interface that handles quaternions (as a a double array) instead of an Orientation object.

Method Summary

Modifier and Type	Method	Description
void	calcOrientation(IMolecule molecule, double[] quat)
void	setOrientation(IMolecule molecule, double[] quat)

Method Detail

calcOrientation

void calcOrientation(IMolecule molecule,
                     double[] quat)

setOrientation

void setOrientation(IMolecule molecule,
                    double[] quat)