Package etomica.integrator.mcmove

Class MCMoveManager

java.lang.Object

etomica.integrator.mcmove.MCMoveManager

public class MCMoveManager
extends java.lang.Object

Field Summary

Fields

Modifier and Type	Field	Description
protected java.util.List<etomica.integrator.mcmove.MCMoveManager.MCMoveLinker>	mcMoveList

Constructor Summary

Constructors

Constructor	Description
MCMoveManager(IRandom random)

Method Summary

Modifier and Type	Method	Description
void	addMCMove(MCMove move)	Adds the given MCMove to the set of moves performed by the integrator and recalculates move frequencies.
Box	getBox()
double	getFrequency(MCMove move)	Returns the trial frequency set for the given move, over and above the move's nominal frequency.
java.util.List<MCMove>	getMCMoves()	Constructs and returns array of all moves added to the integrator.
MCMove	getSelectedMove()
void	recomputeMoveFrequencies()	Recomputes all the move frequencies.
boolean	removeMCMove(MCMove move)	Removes the given MCMove from the set of moves performed by the integrator and recalculates move frequencies.
MCMove	selectMove()	Selects a MCMove instance from among those added to the integrator, with probability in proportion to the frequency value assigned to the move.
void	setBox(Box p)	Invokes superclass method and informs all MCMoves about the new box.
void	setEquilibrating(boolean equilibrating)
void	setFrequency(MCMove move, double newFrequency)	Sets the trial frequency for the given move to the given frequency.
void	setMCMoves(MCMove[] moves)	Sets moves in given array to be integrator's set of moves, deleting any existing moves.

Methods inherited from class java.lang.Object

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

Field Detail

mcMoveList

protected final java.util.List<etomica.integrator.mcmove.MCMoveManager.MCMoveLinker> mcMoveList

Constructor Detail

MCMoveManager

public MCMoveManager(IRandom random)

Method Detail

setMCMoves

public void setMCMoves(MCMove[] moves)

Sets moves in given array to be integrator's set of moves, deleting any existing moves.

getMCMoves

public java.util.List<MCMove> getMCMoves()

Constructs and returns array of all moves added to the integrator.

addMCMove

public void addMCMove(MCMove move)

Adds the given MCMove to the set of moves performed by the integrator and recalculates move frequencies. If the MCMoveManager has been given a Box, the MCMove added here must be of type MCMoveBox.

Throws:

java.lang.ClassCastException - if this MCMoveManager has a Box and the given MCMove is not an MCMoveBox

removeMCMove

public boolean removeMCMove(MCMove move)

Removes the given MCMove from the set of moves performed by the integrator and recalculates move frequencies. Returns false if the move was not used by the integrator.

setBox

public void setBox(Box p)

Invokes superclass method and informs all MCMoves about the new box. The moves are assumed to all be of type MCMoveBox.

Throws:

java.lang.ClassCastException - if any move is not an MCMoveBox

getBox

public Box getBox()

Returns:

Returns the box.

selectMove

public MCMove selectMove()

Selects a MCMove instance from among those added to the integrator, with probability in proportion to the frequency value assigned to the move.

getSelectedMove

public MCMove getSelectedMove()

recomputeMoveFrequencies

public void recomputeMoveFrequencies()

Recomputes all the move frequencies.

setEquilibrating

public void setEquilibrating(boolean equilibrating)

getFrequency

public double getFrequency(MCMove move)

Returns the trial frequency set for the given move, over and above the move's nominal frequency. The frequency is 1.0 by default. This method should not be called with a move not contained by this manager.

setFrequency

public void setFrequency(MCMove move,
                         double newFrequency)

Sets the trial frequency for the given move to the given frequency. The frequency is used in conjunction with the move's own nominal frequency. This method should not be called with a move not contained by this manager.