Package etomica.models.nitrogen

Class PRotConstraint

java.lang.Object

etomica.potential.PotentialMolecular

etomica.models.nitrogen.PRotConstraint

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class PRotConstraint
extends PotentialMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected double	constraintAngle
protected int	counter
protected boolean	onSwitch

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
PRotConstraint(Space space, CoordinateDefinitionNitrogen coordinateDefinition, Box box)

Method Summary

Modifier and Type	Method	Description
double	energy(IMoleculeList molecules)	Returns the interaction energy between the given molecules.
double	getRange()	Returns the range over which the potential applies.
void	setBox(Box box)	Informs the potential of the box on which it acts.
void	setConstraintAngle(double angle)
void	setSwitch(boolean switchOn)

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialMolecular

nBody

Field Detail

constraintAngle

protected double constraintAngle

counter

protected int counter

onSwitch

protected boolean onSwitch

Constructor Detail

PRotConstraint

public PRotConstraint(Space space,
                      CoordinateDefinitionNitrogen coordinateDefinition,
                      Box box)

Method Detail

energy

public double energy(IMoleculeList molecules)

Description copied from class: PotentialMolecular

Returns the interaction energy between the given molecules. There might be 0, 1, 2 or more atoms in the IMoleculeList.

Specified by:

energy in interface IPotentialMolecular

Specified by:

energy in class PotentialMolecular

getRange

public double getRange()

Description copied from interface: IPotential

Returns the range over which the potential applies. IAtoms with a greater separation do not interact.

Specified by:

getRange in interface IPotential

Specified by:

getRange in class PotentialMolecular

setBox

public void setBox(Box box)

Description copied from class: PotentialMolecular

Informs the potential of the box on which it acts. Typically this requires at least that it update the nearestImageTransformer of its coordinatePair (if it uses one), e.g.: cPair.setNearestImageTransformer(box.boundary());

Specified by:

setBox in interface IPotential

Specified by:

setBox in class PotentialMolecular

setConstraintAngle

public void setConstraintAngle(double angle)

setSwitch

public void setSwitch(boolean switchOn)