Package etomica.starpolymer

Class MCMoveClusterConformationMDTest

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveMolecule

etomica.virial.MCMoveClusterMolecule

etomica.starpolymer.MCMoveClusterConformationMDTest

All Implemented Interfaces:

MCMoveMolecular, MCMoveStepDependent

public class MCMoveClusterConformationMDTest
extends MCMoveClusterMolecule

Field Summary

Fields

Modifier and Type	Field	Description
java.util.ArrayList<java.util.List<Vector>>	CoordComboList
protected Vector	r0
protected RotationTensor	rotationTensor

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveBox

box, perParticleFrequency

Fields inherited from class etomica.integrator.mcmove.MCMoveBoxStep

stepSize, stepSizeMax, stepSizeMin

Fields inherited from class etomica.integrator.mcmove.MCMoveMolecule

affectedAtomIterator, affectedMoleculeIterator, energyMeter, groupTranslationVector, molecule, moleculeSource, moveMoleculeAction, random, space, uNew, uOld

Constructor Summary

Constructors

Constructor	Description
MCMoveClusterConformationMDTest(SimulationVirialOverlap2 sim, Space _space, double temperature, int f, int l, boolean useNbrs, boolean doCollecting)

Method Summary

Modifier and Type	Method	Description
void	acceptNotify()	Method called by IntegratorMC in the event that the most recent trial is accepted.
void	collecting(int sizeConformations)
protected void	doTransform()
boolean	doTrial()	Method to perform trial move.
void	equilibrating(int f, int l, double temperature, double tStep, boolean useNbrs)
java.util.ArrayList<java.util.List<Vector>>	getConformationsList()
void	rejectNotify()	Method called by IntegratorMC in the event that the most recent trial move is rejected.
void	setConformationsList(java.util.ArrayList<java.util.List<Vector>> confList)

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

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 etomica.virial.MCMoveClusterMolecule

getChi

Methods inherited from class etomica.integrator.mcmove.MCMoveMolecule

affectedAtoms, affectedMolecules, energyChange, getAtomSource, setBox, setMoleculeSource

Methods inherited from class java.lang.Object

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

Field Detail

r0

protected transient Vector r0

rotationTensor

protected transient RotationTensor rotationTensor

CoordComboList

public java.util.ArrayList<java.util.List<Vector>> CoordComboList

Constructor Detail

MCMoveClusterConformationMDTest

public MCMoveClusterConformationMDTest(SimulationVirialOverlap2 sim,
                                       Space _space,
                                       double temperature,
                                       int f,
                                       int l,
                                       boolean useNbrs,
                                       boolean doCollecting)

Method Detail

equilibrating

public void equilibrating(int f,
                          int l,
                          double temperature,
                          double tStep,
                          boolean useNbrs)

collecting

public void collecting(int sizeConformations)

getConformationsList

public java.util.ArrayList<java.util.List<Vector>> getConformationsList()

setConformationsList

public void setConformationsList(java.util.ArrayList<java.util.List<Vector>> confList)

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 MCMoveClusterMolecule

doTransform

protected void doTransform()

acceptNotify

public void acceptNotify()

Description copied from class: MCMoveMolecule

Method called by IntegratorMC in the event that the most recent trial is accepted.

Overrides:

acceptNotify in class MCMoveClusterMolecule

rejectNotify

public void rejectNotify()

Description copied from class: MCMove

Method called by IntegratorMC in the event that the most recent trial move is rejected. This method should cause the system to be restored to the condition before the most recent call to doTrial.

Overrides:

rejectNotify in class MCMoveClusterMolecule