etomica.nbr
Class CriterionPositionWall

java.lang.Object
  etomica.nbr.CriterionPositionWall

All Implemented Interfaces:

AtomLeafAgentManager.AgentSource, NeighborCriterion, Serializable

public class CriterionPositionWall
extends Object
implements NeighborCriterion, AtomLeafAgentManager.AgentSource, Serializable

Simple neighbor criterion based on distance moved by a leaf atom since the last update. The potential is assumed to be from a wall that exists at the box boundaries or at some fixed position within the box.

See Also:

Serialized Form

Nested Class Summary

protected static class

CriterionPositionWall.DoubleWrapper

Field Summary

protected AtomLeafAgentManager	agentManager
protected double	dr
protected double	rMaxSafe
protected double	safetyFactor

Constructor Summary

CriterionPositionWall(ISimulation sim)

Method Summary

boolean	accept(IAtomList atom)
Class	getAgentClass() Returns the Class of the agent.
double	getInteractionRange() Returns the interaction range of the wall potential.
Dimension	getInteractionRangeDimension()
double	getNeighborRange()
Dimension	getNeighborRangeDimension()
double	getSafetyFactor() returns the safety factor
double	getWallPosition() Returns the position of the wall.
Dimension	getWallPositionDimension()
boolean	isBoundaryWall() Returns true if the walls are at the box boundaries.
Object	makeAgent(IAtom atom) 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(Object agent, IAtom atom) 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	setBoundaryWall(boolean isBoundaryWall) Sets whether the walls are at the box boundaries or not.
void	setBox(IBox box) Specifies the box where the criterion is being applied.
void	setInteractionRange(double r) Informs the criterion of the interaction range of the wall potential.
void	setNeighborRange(double r) Sets the neighbor range of the criterion.
void	setSafetyFactor(double f) Sets the safety factor (between 0 and 1.0) that determines when the criterion thinks it needs an update.
void	setWallDim(int d) Sets the orientation of the wall to be perpendicular to the given dimension
void	setWallPosition(double p) Sets the position of the wall.
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

safetyFactor

protected double safetyFactor

dr

protected double dr

rMaxSafe

protected double rMaxSafe

agentManager

protected AtomLeafAgentManager agentManager

Constructor Detail

CriterionPositionWall

public CriterionPositionWall(ISimulation sim)

Method Detail

setSafetyFactor

public void setSafetyFactor(double f)

Sets the safety factor (between 0 and 1.0) that determines when the criterion thinks it needs an update. Safety factors near 1.0 allow atoms to travel farther before needing an update, but are more risky.

getSafetyFactor

public double getSafetyFactor()

returns the safety factor

setWallDim

public void setWallDim(int d)

Sets the orientation of the wall to be perpendicular to the given dimension

getInteractionRange

public double getInteractionRange()

Returns the interaction range of the wall potential.

setInteractionRange

public void setInteractionRange(double r)

Informs the criterion of the interaction range of the wall potential.

getInteractionRangeDimension

public Dimension getInteractionRangeDimension()

setNeighborRange

public void setNeighborRange(double r)

Sets the neighbor range of the criterion. Atoms within the given distance of the wall are "accepted".

getNeighborRange

public double getNeighborRange()

getNeighborRangeDimension

public Dimension getNeighborRangeDimension()

isBoundaryWall

public boolean isBoundaryWall()

Returns true if the walls are at the box boundaries.

setBoundaryWall

public void setBoundaryWall(boolean isBoundaryWall)

Sets whether the walls are at the box boundaries or not.

setWallPosition

public void setWallPosition(double p)

Sets the position of the wall. This parameter is ignored if isBoundaryWall is true.

getWallPosition

public double getWallPosition()

Returns the position of the wall. This parameter is ignored if isBoundaryWall is true.

getWallPositionDimension

public Dimension getWallPositionDimension()

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(IBox 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(IAtomList atom)

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

getAgentClass

public Class getAgentClass()

Description copied from interface: AtomLeafAgentManager.AgentSource

Returns the Class of the agent. This is used to create an array of the appropriate Class.

Specified by:

getAgentClass in interface AtomLeafAgentManager.AgentSource

makeAgent

public Object makeAgent(IAtom atom)

Description copied from interface: AtomLeafAgentManager.AgentSource

Returns an agent for the given Atom.

Specified by:

makeAgent in interface AtomLeafAgentManager.AgentSource

releaseAgent

public void releaseAgent(Object agent,
                         IAtom atom)

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

Specified by:

releaseAgent in interface AtomLeafAgentManager.AgentSource