Package etomica.action

Class BoxInflate

java.lang.Object

etomica.action.BoxActionAdapter

etomica.action.BoxInflate

All Implemented Interfaces:

BoxAction, IAction, Undoable

Direct Known Subclasses:

BoxInflateAnisotropic, BoxInflateDeformable

public class BoxInflate
extends BoxActionAdapter
implements Undoable

Performs actions that cause volume of system to expand or contract, with molecule positions scaled to keep them in the same relative positions. Inflation can be isotropically or anisotropically.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	dimVector
protected MoleculeChildAtomAction	groupScaler
protected MoleculePositionGeometricCenter	moleculeCenter
protected Vector	scaleVector
protected AtomActionTranslateBy	translator

Fields inherited from class etomica.action.BoxActionAdapter

box

Constructor Summary

Constructors

Constructor	Description
BoxInflate(Box box, Space space)	Constructs BoxInflate action with the given box, but no directive to actually change the box size.
BoxInflate(Box box, Space space, double targetDensity)	Constructs BoxInflate action set to change the given box's density to the given value.
BoxInflate(Space space)	Constructs BoxInflate action without a box or directive to actually change the box size.

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Performs boundary dimension change
double	getScale()
double	getTargetDensity()	Returns the target density of the action.
Vector	getVectorScale()	Returns the current value of the inflation scale in each dimension.
void	setScale(double scale)	Sets the scale defining the amount of inflation.
void	setTargetDensity(double newTargetDensity)	Sets the action to change the box dimensions isotropically to achieve the given density.
void	setVectorScale(Vector scale)	Sets the scale defining the amount of inflation for each dimension.
void	undo()	Reverses the action of the inflation by performing the action with a scale given the by the reciprocal of the current scale.

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

Field Detail

translator

protected final AtomActionTranslateBy translator

groupScaler

protected final MoleculeChildAtomAction groupScaler

scaleVector

protected final Vector scaleVector

dimVector

protected final Vector dimVector

moleculeCenter

protected final MoleculePositionGeometricCenter moleculeCenter

Constructor Detail

BoxInflate

public BoxInflate(Space space)

Constructs BoxInflate action without a box or directive to actually change the box size.

BoxInflate

public BoxInflate(Box box,
                  Space space)

Constructs BoxInflate action with the given box, but no directive to actually change the box size.

BoxInflate

public BoxInflate(Box box,
                  Space space,
                  double targetDensity)

Constructs BoxInflate action set to change the given box's density to the given value.

Parameters:

box - the box

space - the space

targetDensity - the target density

Method Detail

setScale

public void setScale(double scale)

Sets the scale defining the amount of inflation. A value of 1.0 causes no change, while a value greater than 1.0 expands the box, and a value less than 1.0 contracts the box. Coordinates and boundary dimensions are all multiplied by the scale when action is performed. A zero or negative scale throws an IllegalArgumentException.

getScale

public double getScale()

Returns:

Current value of the inflation scale. Assumes isotropic scaling had been set eariler.

setVectorScale

public void setVectorScale(Vector scale)

Sets the scale defining the amount of inflation for each dimension. A value of 1.0 causes no change, while a value greater than 1.0 expands the box, and a value less than 1.0 contracts the box. Coordinates and boundary dimensions are all multiplied by the scale when action is performed. A zero or negative scale throws an IllegalArgumentException.

getVectorScale

public Vector getVectorScale()

Returns the current value of the inflation scale in each dimension.

setTargetDensity

public void setTargetDensity(double newTargetDensity)

Sets the action to change the box dimensions isotropically to achieve the given density.

getTargetDensity

public double getTargetDensity()

Returns the target density of the action.

actionPerformed

public void actionPerformed()

Performs boundary dimension change

Specified by:

actionPerformed in interface IAction

undo

public void undo()

Reverses the action of the inflation by performing the action with a scale given the by the reciprocal of the current scale. Value of scale is not changed as a result.

Specified by:

undo in interface Undoable