cct.tools
Class GeomFormat

java.lang.Object
  extended by 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