Package etomica.integrator.mcmove

Class MCMoveBox

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

Direct Known Subclasses:

MCMoveAtomSwap, MCMoveBiasUB, MCMoveBiasUBMolecule, MCMoveBoxStep, MCMoveClusterDiagram, MCMoveClusterReptateMulti, MCMoveClusterRingPartialRegrow, MCMoveClusterRingRegrow, MCMoveClusterRingRegrowExchange, MCMoveClusterRingRegrowOrientation, MCMoveClusterRingScale, MCMoveEinsteinCrystal, MCMoveGeometricCluster, MCMoveHarmonic, MCMoveInsertDelete, MCMoveMultiHarmonic, MCMoveSemigrand, MCMoveSpinCluster, MCMoveSpinFlip, MCMoveSwap

public abstract class MCMoveBox
extends MCMove

MCMove parent class for moves that operate on a single Box.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected boolean	perParticleFrequency	Flag indicating whether nominal frequency is interpreted as a perParticleFrequency, or as a full frequency.

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Constructor Summary

Constructors

Constructor	Description
MCMoveBox(PotentialMaster potentialMaster)
MCMoveBox(PotentialMaster potentialMaster, MCMoveTracker acceptanceTracker)

Method Summary

Modifier and Type	Method	Description
abstract AtomIterator	affectedAtoms()
AtomIterator	affectedAtoms(Box aBox)	Returns an iterator that yields the atoms that were affected by the trial move the last time doTrial was invoked (regardless of whether the move was accepted).
abstract double	energyChange()
double	energyChange(Box aBox)	Returns the change in the energy of the given box that results from the trial move.
Box	getBox()
boolean	isNominallyPerParticleFrequency()	Indicates whether this move should nominally be performed at a frequency proportional to the number of molecules in the box.
void	setBox(Box p)	Sets the box on which this move acts.
java.lang.String	toString()

Methods inherited from class etomica.integrator.mcmove.MCMove

acceptNotify, doTrial, getChi, getNominalFrequency, getTracker, rejectNotify, setTracker

Methods inherited from class java.lang.Object

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

Field Detail

perParticleFrequency

protected boolean perParticleFrequency

Flag indicating whether nominal frequency is interpreted as a perParticleFrequency, or as a full frequency. Default is false, but may be given a different value by subclasses.

box

protected Box box

Constructor Detail

MCMoveBox

public MCMoveBox(PotentialMaster potentialMaster)

MCMoveBox

public MCMoveBox(PotentialMaster potentialMaster,
                 MCMoveTracker acceptanceTracker)

Method Detail

setBox

public void setBox(Box p)

Sets the box on which this move acts. The box itself can be changed via this method, if desired.

getBox

public Box getBox()

Returns:

the box(s) on which this move acts.

affectedAtoms

public AtomIterator affectedAtoms(Box aBox)

Description copied from class: MCMove

Returns an iterator that yields the atoms that were affected by the trial move the last time doTrial was invoked (regardless of whether the move was accepted). This information usually is not needed, but it is available in cases where required by objects that perform some activity while the move is in progress, or need to update after the move is completed. Such objects can receive notification of the move's completion by registering with the IntegratorMC as MCMoveEventListeners. If the move caused an atom to be removed from the box, it will not be returned because that Atom is not considered an affected Atom.

Specified by:

affectedAtoms in class MCMove

affectedAtoms

public abstract AtomIterator affectedAtoms()

energyChange

public double energyChange(Box aBox)

Description copied from class: MCMove

Returns the change in the energy of the given box that results from the trial move. Should be called only after lnProbabilityRatio(); returns Double.NaN if invoked between calls to doTrial and lnProbabilityRatio.

Specified by:

energyChange in class MCMove

energyChange

public abstract double energyChange()

isNominallyPerParticleFrequency

public final boolean isNominallyPerParticleFrequency()

Indicates whether this move should nominally be performed at a frequency proportional to the number of molecules in the box.

See Also:

MCMove.nominalFrequency

toString

public java.lang.String toString()

Overrides:

toString in class MCMove