Package etomica.normalmode

Class P1ConstraintNbr

java.lang.Object

etomica.normalmode.P1ConstraintNbr

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P1ConstraintNbr
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected int	boxIndex
protected double	constraint
protected Vector	drj
protected Vector	drk
protected IAtomList	leafList
protected int[][]	neighborAtoms
protected double	neighborRadiusSq

Constructor Summary

Constructors

Constructor	Description
P1ConstraintNbr(Space space, double neighborDistance)
P1ConstraintNbr(Space space, double neighborDistance, double constraint)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns sum of energy for all triplets containing the given atom
double	energyi(IAtom atom)	Returns the energy for atom i due to requirements for i and its neighbors (but not for i as a neighbor)
protected double	energyij(IAtom atomi, IAtom atomj)	Return the energy for i due to requirement that it be between j and the atom opposite from j.
protected int	findOppositeAtomIndex(IAtom atomi, IAtomList list)	find atom in list that is opposite atomi from atomj (as defined by drj)
int[][]	getNbrAtoms(Box box)
double	getRange()	Returns the range over which the potential applies.
void	initBox(Box box)	Assigns & keeps track of a set of neighbors for each box
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

drj

protected final Vector drj

drk

protected final Vector drk

neighborAtoms

protected int[][] neighborAtoms

neighborRadiusSq

protected double neighborRadiusSq

boundary

protected Boundary boundary

leafList

protected IAtomList leafList

boxIndex

protected int boxIndex

constraint

protected double constraint

Constructor Detail

P1ConstraintNbr

public P1ConstraintNbr(Space space,
                       double neighborDistance)

P1ConstraintNbr

public P1ConstraintNbr(Space space,
                       double neighborDistance,
                       double constraint)

Method Detail

initBox

public void initBox(Box box)

Assigns & keeps track of a set of neighbors for each box

Parameters:

box -

getNbrAtoms

public int[][] getNbrAtoms(Box box)

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

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

findOppositeAtomIndex

protected int findOppositeAtomIndex(IAtom atomi,
                                    IAtomList list)

find atom in list that is opposite atomi from atomj (as defined by drj)

energy

public double energy(IAtomList atoms)

Returns sum of energy for all triplets containing the given atom

Specified by:

energy in interface IPotentialAtomic

energyi

public double energyi(IAtom atom)

Returns the energy for atom i due to requirements for i and its neighbors (but not for i as a neighbor)

energyij

protected double energyij(IAtom atomi,
                          IAtom atomj)

Return the energy for i due to requirement that it be between j and the atom opposite from j.