Package etomica.potential

Class PotentialMolecularSum

java.lang.Object

etomica.potential.PotentialMolecularSum

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class PotentialMolecularSum
extends java.lang.Object
implements IPotentialMolecular

Molecular potential class that simply sums up contributions from multiple (molecular) potentials.

Field Summary

Fields

Modifier and Type	Field	Description
protected IPotentialMolecular[]	p

Constructor Summary

Constructors

Constructor	Description
PotentialMolecularSum(IPotentialMolecular[] p)

Method Summary

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

Methods inherited from class java.lang.Object

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

Field Detail

p

protected final IPotentialMolecular[] p

Constructor Detail

PotentialMolecularSum

public PotentialMolecularSum(IPotentialMolecular[] p)

Method Detail

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

setBox

public void setBox(Box 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

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

energy

public double energy(IMoleculeList molecules)

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