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SmilesViewerforDeterministicGenerator.java

/* $RCSfile$
 * $Author: egonw $
 * $Date: 2007-01-04 18:26:00 +0100 (Thu, 04 Jan 2007) $
 * $Revision: 7634 $
 *
 * Copyright (C) 1997-2000  The JChemPaint project
 * Copyright (C) 2000-2007  The Chemistry Development Kit (CDK) project
 * 
 * Contact: cdk-devel@lists.sourceforge.net
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All I ask is that proper credit is given for my work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. 
 * 
 */
package org.openscience.cdk.applications.demo;

import java.awt.BorderLayout;
import java.awt.Button;
import java.awt.Checkbox;
import java.awt.Container;
import java.awt.Dimension;
import java.awt.FlowLayout;
import java.awt.TextField;
import java.awt.event.ActionListener;
import java.awt.event.WindowAdapter;

import javax.swing.JApplet;
import javax.swing.JFrame;
import javax.swing.JPanel;

import org.openscience.cdk.DefaultChemObjectBuilder;
import org.openscience.cdk.Molecule;
import org.openscience.cdk.applications.swing.MoleculeListViewer;
import org.openscience.cdk.applications.swing.MoleculeViewer2D;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.layout.StructureDiagramGenerator;
import org.openscience.cdk.smiles.SmilesParser;

/**
 * @cdk.module  applications
 * @cdk.require swing
 */
00058 public class SmilesViewerforDeterministicGenerator extends JApplet implements ActionListener{
      
      static final long serialVersionUID = 3968754411807170822L;
      
      String s = "";
      TextField textField = null;
      String smilesString = "";
      Button drawButton = null;
      Checkbox toggleSymbols = null;
      Checkbox toggleHydrogens = null;
      Checkbox toggleNumbers = null;
      static boolean isApplication = false;
      
      public static void main(String[] args)
      {
            isApplication = true;
            JFrame frame = new JFrame();
            SmilesViewerforDeterministicGenerator sv = new SmilesViewerforDeterministicGenerator();
            sv.init();
            frame.addWindowListener(sv.getAWindowAdapter());
            frame.getContentPane().add(sv);
            frame.pack();
            frame.setVisible(true);

      }

      public void init(){
            Container contentPane=getContentPane();
            contentPane.setLayout(new BorderLayout());
            textField = new TextField(30);
            textField.addActionListener(this);
            JPanel northPanel = new JPanel();
            JPanel southPanel = new JPanel();
            northPanel.setLayout(new FlowLayout());
            southPanel.setLayout(new FlowLayout());
            drawButton = new Button("Draw");
            drawButton.addActionListener(this);
            northPanel.add(textField);
            northPanel.add(drawButton);
            contentPane.add("North", northPanel);           
            toggleSymbols = new Checkbox("Draw Element Symbols");
            toggleHydrogens = new Checkbox("Draw Hydrogens");
            toggleNumbers = new Checkbox("Draw Numbers");         
            
            toggleSymbols.setState(false);
            toggleHydrogens.setState(false);
            toggleNumbers.setState(false);
            
            southPanel.add(toggleSymbols);
            southPanel.add(toggleHydrogens);          
            southPanel.add(toggleNumbers);                  
            
            contentPane.add("South", southPanel);
      }
      
      public WindowAdapter getAWindowAdapter()
      {
            return new AWindowAdapter();
      }
      

      public void actionPerformed (java.awt.event.ActionEvent e){
                  if (e.getSource() == drawButton || e.getSource() == textField){
                        smilesString = textField.getText();
                        JFrame frame = new JFrame(smilesString);
                        frame.getContentPane().setLayout(new BorderLayout());
                        try
                        {
                              MoleculeListViewer mlv;
                              mlv = new MoleculeListViewer();
                              mlv.setMolViewDim(new Dimension(400, 600));
                              SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
                              IMolecule mol=sp.parseSmiles(smilesString);
                              StructureDiagramGenerator sdg = new StructureDiagramGenerator();
                              MoleculeViewer2D mv = new MoleculeViewer2D();
                    mv.getRenderer2DModel().setDrawNumbers(toggleNumbers.getState());
                    mv.getRenderer2DModel().setKekuleStructure(toggleSymbols.getState());
                    mv.getRenderer2DModel().setShowImplicitHydrogens(toggleHydrogens.getState());
                              sdg.setMolecule((Molecule) mol.clone());
                              sdg.generateCoordinates();
                              mv.setAtomContainer(sdg.getMolecule());
                              mlv.addStructure(mv);
                        }
                        catch(Exception exc)
                        {
                              System.out.println(exc);
                }
                  }
      }
      
      
      class AWindowAdapter extends java.awt.event.WindowAdapter
      {
            public void windowClosing(java.awt.event.WindowEvent we)
            {
                  JFrame frame = (JFrame)we.getWindow();
                  frame.setVisible(false);
                  frame.dispose();
                  if (isApplication) System.exit(0);
            }
      }
      
}


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