Package etomica.models.water

Class DipoleSourceWater

java.lang.Object

etomica.models.water.DipoleSourceWater

All Implemented Interfaces:

DipoleSource

public class DipoleSourceWater
extends java.lang.Object
implements DipoleSource

Implementation of DipoleSource that can handle water molecules that are MoleculeOriented. The orientation is taken from the molecule rather than calculated from scratch. The dipole is assumed to point in the "secondary" direction held by the orientation. This is the correct direction for AtomWater3P. The magnitude of the dipole must be given to this class (via setDipoleStrength since that depends on the potential in use.

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	dipole
protected double	dipoleStrength

Constructor Summary

Constructors

Constructor	Description
DipoleSourceWater(Space space)

Method Summary

Modifier and Type	Method	Description
Vector	getDipole(IMolecule molecule)	Returns the dipole of the given molecule.
double	getDipoleStrength()	Returns the dipole strength.
void	setDipoleStrength(double newDipoleStrength)	Sets the strength (magnitude) of the dipole.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

dipoleStrength

protected double dipoleStrength

dipole

protected final Vector dipole

Constructor Detail

DipoleSourceWater

public DipoleSourceWater(Space space)

Method Detail

setDipoleStrength

public void setDipoleStrength(double newDipoleStrength)

Sets the strength (magnitude) of the dipole.

getDipoleStrength

public double getDipoleStrength()

Returns the dipole strength.

getDipole

public Vector getDipole(IMolecule molecule)

Description copied from interface: DipoleSource

Returns the dipole of the given molecule. The method is likely to through an exception if a molecule of the wrong type is passed in.

Specified by:

getDipole in interface DipoleSource