Package etomica.action

Class BoxImposePbc

java.lang.Object

etomica.action.BoxActionAdapter

etomica.action.BoxImposePbc

All Implemented Interfaces:

BoxAction, IAction

public class BoxImposePbc
extends BoxActionAdapter

Action that imposes the central-image effect of a box having periodic boundaries. Causes all atoms with coordinates outside the box boundaries to be moved to the central-image location (inside the boundaries).

See Also:

Serialized Form

Field Summary

Fields inherited from class etomica.action.BoxActionAdapter

box

Constructor Summary

Constructors

Constructor	Description
BoxImposePbc(Box box, Space space)	Creates the action ready to perform on the given box.
BoxImposePbc(Space space)	Creates the action without specifying a box.

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Completes the action defined by the class implementing this interface.
IMoleculePositionDefinition	getPositionDefinition()
int	getPriority()
boolean	isApplyToMolecules()	Returns the value of applyToMolecules.
void	setApplyToMolecules(boolean applyToMolecules)	Sets a flag indicating whether periodic boundaries are applied to the molecules (true), or to the atoms (false).
void	setPositionDefinition(IMoleculePositionDefinition positionDefinition)

Methods inherited from class etomica.action.BoxActionAdapter

getBox, setBox

Methods inherited from class java.lang.Object

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

Constructor Detail

BoxImposePbc

public BoxImposePbc(Space space)

Creates the action without specifying a box. Requires call to setBox before action can have any effect. Default is to apply central-imaging at the atom rather than molecule level.

BoxImposePbc

public BoxImposePbc(Box box,
                    Space space)

Creates the action ready to perform on the given box.

Parameters:

box -

Method Detail

getPriority

public int getPriority()

actionPerformed

public void actionPerformed()

Description copied from interface: IAction

Completes the action defined by the class implementing this interface.

isApplyToMolecules

public boolean isApplyToMolecules()

Returns the value of applyToMolecules.

Returns:

boolean

setApplyToMolecules

public void setApplyToMolecules(boolean applyToMolecules)

Sets a flag indicating whether periodic boundaries are applied to the molecules (true), or to the atoms (false). If applied to the atoms (the default case), then central imaging is done to each atom individually, which could cause a molecule to be split, with some of its atoms on one edge of the simulation box, and others on the other edge. If applied to molecules, the entire molecule will be shifted as a whole when enforcing central imaging.

Parameters:

applyToMolecules - The new value of the flag.

setPositionDefinition

public void setPositionDefinition(IMoleculePositionDefinition positionDefinition)

getPositionDefinition

public IMoleculePositionDefinition getPositionDefinition()