etomica.action
Class WriteConfigurationP2DLPOLY

java.lang.Object
  etomica.action.WriteConfigurationP2DLPOLY

All Implemented Interfaces:

IAction

public class WriteConfigurationP2DLPOLY
extends Object
implements IAction

Dumps a box's configuration to a file. The coordinates are written in a format that can be read in by ConfigurationFile. The output file is normally named 'CONFIG', which is read by the DL_MULTI package as an input file This class is set up for the purpose of computing the pair energy of 2 molecules instead of the whole system In this system, it is made as a non-periodic boundary condition

Constructor Summary

WriteConfigurationP2DLPOLY()

Method Summary

void	actionPerformed() Writes the leaf Atom coordinates to the file CONFIG.
IBox	getBox() Returns the box whose atom coordinates get written to the file.
String	getConfName() Returns the configuration name.
boolean	getDoApplyPBC() Returns true if PBC are applied to coordinates written to the file.
HashMap<IElement,String>	getElementHash()
int	getTypeInteraction()
boolean	getWriteVelocity()
void	setBox(IBox newBox) Sets the box whose atom coordinates get written to the file.
void	setConfName(String newConfName) Sets the configuration name.
void	setDoApplyPBC(boolean newDoApplyPBC) Directs the writer to apply periodic boundary conditions or not (true by default).
void	setMolecule(IMolecule molecule1, IMolecule molecule2)
void	setWriteVelocity(boolean newWriteVelocity)

Methods inherited from class java.lang.Object

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

Constructor Detail

WriteConfigurationP2DLPOLY

public WriteConfigurationP2DLPOLY()

Method Detail

getElementHash

public HashMap<IElement,String> getElementHash()

setConfName

public void setConfName(String newConfName)

Sets the configuration name. The file written to is newConfName.pos_new

getConfName

public String getConfName()

Returns the configuration name. The file written to is confName.pos_new

setBox

public void setBox(IBox newBox)

Sets the box whose atom coordinates get written to the file.

getBox

public IBox getBox()

Returns the box whose atom coordinates get written to the file.

setDoApplyPBC

public void setDoApplyPBC(boolean newDoApplyPBC)

Directs the writer to apply periodic boundary conditions or not (true by default).

getDoApplyPBC

public boolean getDoApplyPBC()

Returns true if PBC are applied to coordinates written to the file.

setWriteVelocity

public void setWriteVelocity(boolean newWriteVelocity)

getWriteVelocity

public boolean getWriteVelocity()

getTypeInteraction

public int getTypeInteraction()

setMolecule

public void setMolecule(IMolecule molecule1,
                        IMolecule molecule2)

actionPerformed

public void actionPerformed()

Writes the leaf Atom coordinates to the file CONFIG. If the file exists, it will be overwritten.

Specified by:

actionPerformed in interface IAction