Package etomica.nbr

Class CriterionSimple

java.lang.Object

etomica.nbr.CriterionSimple

All Implemented Interfaces:

AtomLeafAgentManager.AgentSource<Vector>, NeighborCriterion

public class CriterionSimple
extends java.lang.Object
implements NeighborCriterion, AtomLeafAgentManager.AgentSource<Vector>

Simple neighbor criterion based on distance moved by a leaf atom since the last update.

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomLeafAgentManager<Vector>	agentManager
protected Boundary	boundary
protected BoxAgentManager<AtomLeafAgentManager<Vector>>	boxAgentManager
protected double	displacementLimit2
protected Vector	dr
protected double	interactionRange
protected double	neighborRadius2
protected double	r2
protected double	r2MaxSafe
protected double	safetyFactor
protected Space	space

Constructor Summary

Constructors

Constructor	Description
CriterionSimple(Simulation sim, Space _space, double interactionRange, double neighborRadius)

Method Summary

Modifier and Type	Method	Description
boolean	accept(IAtom atom1, IAtom atom2)
double	getInteractionRange()
Dimension	getInteractionRangeDimension()
double	getNeighborRange()
Dimension	getNeighborRangeDimension()
double	getSafetyFactor()
Vector	makeAgent(IAtom atom, Box agentBox)	Returns an agent for the given Atom.
boolean	needUpdate(IAtom atom)	Indicates whether the neighbor list for the given atom should be updated, according to this criterion.
void	releaseAgent(Vector agent, IAtom atom, Box agentBox)	This informs the agent source that the agent is going away and that the agent source should disconnect the agent from other elements.
void	reset(IAtom atom)	Indicates to criterion that given atom's neighbor list has just been updated, and that properties (e.g., record of atom's position) used by needUpdate and unsafe() methods should be reset.
void	setBox(Box box)	Specifies the box where the criterion is being applied.
void	setInteractionRange(double newInteractionRange)
void	setNeighborRange(double r)
void	setSafetyFactor(double f)
boolean	unsafe()	Indicates whether the atom has changed (e.g.

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

interactionRange

protected double interactionRange

displacementLimit2

protected double displacementLimit2

neighborRadius2

protected double neighborRadius2

dr

protected final Vector dr

boundary

protected Boundary boundary

safetyFactor

protected double safetyFactor

r2

protected double r2

r2MaxSafe

protected double r2MaxSafe

agentManager

protected AtomLeafAgentManager<Vector> agentManager

boxAgentManager

protected final BoxAgentManager<AtomLeafAgentManager<Vector>> boxAgentManager

Constructor Detail

CriterionSimple

public CriterionSimple(Simulation sim,
                       Space _space,
                       double interactionRange,
                       double neighborRadius)

Method Detail

setSafetyFactor

public void setSafetyFactor(double f)

getSafetyFactor

public double getSafetyFactor()

setNeighborRange

public void setNeighborRange(double r)

getNeighborRange

public double getNeighborRange()

getNeighborRangeDimension

public Dimension getNeighborRangeDimension()

setInteractionRange

public void setInteractionRange(double newInteractionRange)

getInteractionRange

public double getInteractionRange()

getInteractionRangeDimension

public Dimension getInteractionRangeDimension()

needUpdate

public boolean needUpdate(IAtom atom)

Description copied from interface: NeighborCriterion

Indicates whether the neighbor list for the given atom should be updated, according to this criterion.

Specified by:

needUpdate in interface NeighborCriterion

Returns:

true if the atom's list should be updated.

setBox

public void setBox(Box box)

Description copied from interface: NeighborCriterion

Specifies the box where the criterion is being applied. Sometimes needed if the criterion depends on features of the box, such as the boundary.

Specified by:

setBox in interface NeighborCriterion

unsafe

public boolean unsafe()

Description copied from interface: NeighborCriterion

Indicates whether the atom has changed (e.g. moved) by an amount that might have caused its neighbor list to be invalid. If this method returns true, a neighbor list failure may have introduced errors in the calculation.

Specified by:

unsafe in interface NeighborCriterion

accept

public boolean accept(IAtom atom1,
                      IAtom atom2)

Specified by:

accept in interface NeighborCriterion

reset

public void reset(IAtom atom)

Description copied from interface: NeighborCriterion

Indicates to criterion that given atom's neighbor list has just been updated, and that properties (e.g., record of atom's position) used by needUpdate and unsafe() methods should be reset.

Specified by:

reset in interface NeighborCriterion

makeAgent

public Vector makeAgent(IAtom atom,
                        Box agentBox)

Description copied from interface: AtomLeafAgentManager.AgentSource

Returns an agent for the given Atom. The agentBox is provided for convenience for agent sources that handle multiple boxes.

Specified by:

makeAgent in interface AtomLeafAgentManager.AgentSource<Vector>

agentBox - TODO

releaseAgent

public void releaseAgent(Vector agent,
                         IAtom atom,
                         Box agentBox)

Description copied from interface: AtomLeafAgentManager.AgentSource

This informs the agent source that the agent is going away and that the agent source should disconnect the agent from other elements. The agentBox is provided for convenience for agent sources that handle multiple boxes.

Specified by:

releaseAgent in interface AtomLeafAgentManager.AgentSource<Vector>