Package etomica.integrator.mcmove

Class MCMoveAtomInRegion

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveAtom

etomica.integrator.mcmove.MCMoveAtomInRegion

All Implemented Interfaces:

MCMoveStepDependent

public class MCMoveAtomInRegion
extends MCMoveAtom

MC move that operates only on atoms within a given region of x values. If the selected atom is moved outside the region, it is wrapped back inside.

Field Summary

Fields

Modifier and Type	Field	Description
protected int	nAttempts
protected Vector	oldPosition
protected double	xMax
protected double	xMin

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveAtom

affectedAtomIterator, atom, atomSource, energyMeter, fixOverlap, random, space, translationVector, uNew, uOld

Fields inherited from class etomica.integrator.mcmove.MCMoveBox

box, perParticleFrequency

Fields inherited from class etomica.integrator.mcmove.MCMoveBoxStep

stepSize, stepSizeMax, stepSizeMin

Constructor Summary

Constructors

Constructor	Description
MCMoveAtomInRegion(IRandom random, PotentialMaster potentialMaster, Space _space)

Method Summary

Modifier and Type	Method	Description
boolean	doTrial()	Method to perform trial move.
void	setXRange(double newXMin, double newXMax, int maxAttempts)	Defines the region atoms must be selected from.

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

Methods inherited from class etomica.integrator.mcmove.MCMoveAtom

acceptNotify, affectedAtoms, energyChange, getAtomSource, getChi, rejectNotify, setAtomSource, setBox

Methods inherited from class etomica.integrator.mcmove.MCMoveBox

affectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toString

Methods inherited from class etomica.integrator.mcmove.MCMoveBoxStep

getStepSize, getStepSizeDimension, getStepSizeMax, getStepSizeMaxDimension, getStepSizeMin, getStepSizeMinDimension, setStepSize, setStepSizeMax, setStepSizeMin

Methods inherited from class java.lang.Object

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

Field Detail

nAttempts

protected int nAttempts

xMin

protected double xMin

xMax

protected double xMax

oldPosition

protected Vector oldPosition

Constructor Detail

MCMoveAtomInRegion

public MCMoveAtomInRegion(IRandom random,
                          PotentialMaster potentialMaster,
                          Space _space)

Method Detail

setXRange

public void setXRange(double newXMin,
                      double newXMax,
                      int maxAttempts)

Defines the region atoms must be selected from. The atom is chosen randomly. If the atom is not in the region, repeated attempts are made until one is found or maxAttempts is reached. If newXMax > newXMin, then newXMax > x > newXMin. If newXMax < newXMin, then newXMax < x < newXMin (the region spans the boundary, excluding the middle of the box)

doTrial

public boolean doTrial()

Description copied from class: MCMove

Method to perform trial move. Returns false if the trial could not be attempted, for example if there were no molecules in the box and the trial is designed to displace an atom; returns true otherwise.

Overrides:

doTrial in class MCMoveAtom