Package etomica.molecule

Interface OrientationCalc

All Known Implementing Classes:

OrientationCalcAtom, OrientationCalcWater3P, OrientationCalcWater4P

public interface OrientationCalc

Interface for a class that can calculate the orientation of a molecule or to set the orientation of a molecule.

Method Summary

Modifier and Type	Method	Description
void	calcOrientation(IMolecule molecule, IOrientationFull3D orientation)	Calculates the orientation of the given molecule and stores that in the given orientation.
void	setOrientation(IMolecule molecule, IOrientationFull3D orientation)	Sets the orientation of the given molecule to be equal to the given orientation.

Method Detail

calcOrientation

void calcOrientation(IMolecule molecule,
                     IOrientationFull3D orientation)

Calculates the orientation of the given molecule and stores that in the given orientation.

setOrientation

void setOrientation(IMolecule molecule,
                    IOrientationFull3D orientation)

Sets the orientation of the given molecule to be equal to the given orientation. This typically involves changing the position of the atoms without changing the molecules position.