etomica.action
Class PDBWriter

java.lang.Object
  etomica.action.PDBWriter

All Implemented Interfaces:

IAction, Serializable

public class PDBWriter
extends Object
implements IAction, Serializable

Action that dumps a box's configuration to an PDB file. Arbitrary but unique elements are assigned to each atom type. After writing the PDB file, writeRasmolScript can be called to write a script that will properly initialize the atomic radii.

See Also:

Serialized Form

Constructor Summary

PDBWriter()

PDBWriter(IBox aBox)

Method Summary

void	actionPerformed() Completes the action defined by the class implementing this interface.
void	setBox(IBox newBox)
void	setFile(File newFile) Sets the file to write to.
void	setFileName(String fileName) Sets the file name to write to.
void	writeRasmolScript() Writes a script for rasmol that initializes the radii of each atom type.

Methods inherited from class java.lang.Object

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

Constructor Detail

PDBWriter

public PDBWriter()

PDBWriter

public PDBWriter(IBox aBox)

Method Detail

setBox

public void setBox(IBox newBox)

setFile

public void setFile(File newFile)

Sets the file to write to. This method (or setFileName) must be called before calling actionPerformed and again before calling writeRasmolScript.

setFileName

public void setFileName(String fileName)

Sets the file name to write to. This method (or setFile) must be called before calling actionPerformed and again before calling writeRasmolScript.

actionPerformed

public void actionPerformed()

Description copied from interface: IAction

Completes the action defined by the class implementing this interface.

Specified by:

actionPerformed in interface IAction

writeRasmolScript

public void writeRasmolScript()

Writes a script for rasmol that initializes the radii of each atom type.