etomica.potential

Class P2MoleculeMonatomic

java.lang.Object

etomica.potential.P2MoleculeMonatomic

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class P2MoleculeMonatomic
extends java.lang.Object
implements IPotentialMolecular

Field Summary

Fields

Modifier and Type	Field and Description
protected AtomPair	leafAtoms
protected IPotentialAtomic	wrappedPotential

Constructor Summary

Constructors

Constructor and Description
P2MoleculeMonatomic(IPotentialAtomic potential)

Method Summary

Modifier and Type	Method and Description
double	energy(IMoleculeList atoms) Returns the interaction energy between the given atoms.
double	getRange() Returns the range over which the potential applies.
IPotentialAtomic	getWrappedPotential()
int	nBody() The number of atoms on which the potential depends.
void	setBox(IBox box) Informs the potential of the box on which it acts so that it can properly consider the boundaries.
void	setWrappedPotential(IPotentialAtomic newWrappedPotential)

Methods inherited from class java.lang.Object

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

Field Detail

leafAtoms

protected final AtomPair leafAtoms

wrappedPotential

protected IPotentialAtomic wrappedPotential

Constructor Detail

P2MoleculeMonatomic

public P2MoleculeMonatomic(IPotentialAtomic potential)

Method Detail

energy

public double energy(IMoleculeList atoms)

Description copied from interface: IPotentialMolecular

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

Specified by:

energy in interface IPotentialMolecular

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

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

setBox

public void setBox(IBox box)

Description copied from interface: IPotential

Informs the potential of the box on which it acts so that it can properly consider the boundaries.

Specified by:

setBox in interface IPotential

getWrappedPotential

public IPotentialAtomic getWrappedPotential()

setWrappedPotential

public void setWrappedPotential(IPotentialAtomic newWrappedPotential)