Package etomica.virial

Class MayerFunctionNonAdditiveFull

java.lang.Object

etomica.virial.MayerFunctionNonAdditiveFull

All Implemented Interfaces:

MayerFunctionNonAdditive

public class MayerFunctionNonAdditiveFull
extends java.lang.Object
implements MayerFunctionNonAdditive

Field Summary

Fields

Modifier and Type	Field	Description
protected IPotentialMolecular	pNA

Constructor Summary

Constructors

Constructor	Description
MayerFunctionNonAdditiveFull(IPotentialMolecular pNA)

Method Summary

Modifier and Type	Method	Description
double	f(IMoleculeList molecules, double[] r2, double beta)	returns exp(-beta*(U - Upair)) r2 is listed in the order (0,1),(0,2)...(0,n-1),(1,2),(1,3)...(1,n-1)...(n-2,n-1)
double	f(IMoleculeList molecules, int nMolecules, int[] moleculeIndices, double[] r2, double beta)	returns exp(-beta*(U - Upair)) This method allows an implementation to operate on distances and indices instead of molecules.
void	setBox(Box box)

Methods inherited from class java.lang.Object

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

Field Detail

pNA

protected final IPotentialMolecular pNA

Constructor Detail

MayerFunctionNonAdditiveFull

public MayerFunctionNonAdditiveFull(IPotentialMolecular pNA)

Method Detail

f

public double f(IMoleculeList molecules,
                double[] r2,
                double beta)

returns exp(-beta*(U - Upair)) r2 is listed in the order (0,1),(0,2)...(0,n-1),(1,2),(1,3)...(1,n-1)...(n-2,n-1)

Specified by:

f in interface MayerFunctionNonAdditive

f

public double f(IMoleculeList molecules,
                int nMolecules,
                int[] moleculeIndices,
                double[] r2,
                double beta)

returns exp(-beta*(U - Upair)) This method allows an implementation to operate on distances and indices instead of molecules. The arrays can be longer than needed for nMolecules (extra elements will be ignored).

Specified by:

f in interface MayerFunctionNonAdditive

setBox

public void setBox(Box box)

Specified by:

setBox in interface MayerFunctionNonAdditive