cct.tools
Class GeomFormat

java.lang.Object
  cct.tools.GeomFormat

public class GeomFormat
extends java.lang.Object

Title: Jamberoo - Computational Chemistry Toolkit

Description: Collection of Computational Chemistry related code

Copyright: Copyright (c) 2005-2008 Dr. Vladislav Vasilyev

Company: The Australian National University

Field Summary

(package private) javax.swing.JFileChooser	chooser
(package private) java.io.File	currentWorkingDirectory
(package private) float	defaultAtomicRadius
(package private) FileFilterImpl	filter
(package private) MoleculeInterface	molecule
(package private) java.util.prefs.Preferences	prefs
(package private) float[]	transformMatrix

Constructor Summary

GeomFormat()

Method Summary

static void	main(java.lang.String[] args)
void	saveGeomFormatFile()
void	saveGeomFormatFile(java.lang.String filename)
void	setMolecule(MoleculeInterface mol)
void	settransformMatrix(float[] matrix)

Methods inherited from class java.lang.Object

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

Field Detail

transformMatrix

float[] transformMatrix

molecule

MoleculeInterface molecule

defaultAtomicRadius

float defaultAtomicRadius

prefs

java.util.prefs.Preferences prefs

currentWorkingDirectory

java.io.File currentWorkingDirectory

chooser

javax.swing.JFileChooser chooser

filter

FileFilterImpl filter

Constructor Detail

GeomFormat

public GeomFormat()

Method Detail

settransformMatrix

public void settransformMatrix(float[] matrix)

setMolecule

public void setMolecule(MoleculeInterface mol)

main

public static void main(java.lang.String[] args)

saveGeomFormatFile

public void saveGeomFormatFile()
                        throws java.lang.Exception

Throws:

java.lang.Exception

saveGeomFormatFile

public void saveGeomFormatFile(java.lang.String filename)
                        throws java.lang.Exception

Throws:

java.lang.Exception