jchempainteditorpanel.java

化学图形处理软件

/*  $RCSfile$
 *  $Author: shk3 $
 *  $Date: 2007-09-02 18:43:36 +0200 (Sun, 02 Sep 2007) $
 *  $Revision: 8845 $
 *
 *  Copyright (C) 1997-2007  The JChemPaint project
 *
 *  Contact: [e-mail]
 *
 *  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 we ask is that proper credit is given for our 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.jchempaint;

import java.awt.BorderLayout;
import java.awt.Color;
import java.awt.Container;
import java.awt.Dimension;
import java.awt.Graphics2D;
import java.awt.Image;
import java.awt.event.ComponentAdapter;
import java.awt.event.ComponentEvent;
import java.io.File;
import java.io.FileReader;
import java.io.IOException;
import java.io.InputStream;
import java.io.InputStreamReader;
import java.util.Calendar;
import java.util.Enumeration;
import java.util.EventObject;
import java.util.HashMap;
import java.util.Iterator;
import java.util.StringTokenizer;

import javax.swing.JFrame;
import javax.swing.JScrollPane;
import javax.swing.JToolBar;
import javax.swing.JViewport;
import javax.swing.event.ChangeEvent;
import javax.swing.event.ChangeListener;
import javax.swing.event.EventListenerList;
import javax.vecmath.Point2d;
import javax.vecmath.Vector2d;

import org.openscience.cdk.Atom;
import org.openscience.cdk.Bond;
import org.openscience.cdk.ChemModel;
import org.openscience.cdk.DefaultChemObjectBuilder;
import org.openscience.cdk.PseudoAtom;
import org.openscience.cdk.Reaction;
import org.openscience.cdk.applications.jchempaint.dnd.JCPTransferHandler;
import org.openscience.cdk.applications.undoredo.JCPUndoRedoHandler;
import org.openscience.cdk.controller.PopupController2D;
import org.openscience.cdk.dict.DictionaryDatabase;
import org.openscience.cdk.event.ICDKChangeListener;
import org.openscience.cdk.geometry.GeometryTools;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IMoleculeSet;
import org.openscience.cdk.renderer.Renderer2D;
import org.openscience.cdk.renderer.Renderer2DModel;
import org.openscience.cdk.smiles.SmilesParser;
import org.openscience.cdk.tools.LoggingTool;
import org.openscience.cdk.tools.manipulator.ChemModelManipulator;
import org.openscience.cdk.tools.manipulator.MoleculeSetManipulator;
import org.openscience.cdk.tools.manipulator.ReactionManipulator;
import org.openscience.cdk.validate.BasicValidator;
import org.openscience.cdk.validate.CDKValidator;
import org.openscience.cdk.validate.DictionaryValidator;
import org.openscience.cdk.validate.PDBValidator;
import org.openscience.cdk.validate.ValencyValidator;
import org.openscience.cdk.validate.ValidatorEngine;

/**
 *  This class implements an editing JChemPaintPanel.
 *
 *@author        steinbeck
 *@cdk.created       16. Februar 2005
 *@cdk.module    jchempaint
 *@see           JChemPaintViewerOnlyPanel
 */
public class JChemPaintEditorPanel extends JChemPaintPanel
		 implements ChangeListener, ICDKChangeListener
{

	private static final long serialVersionUID = -5369372292013788887L;
	static String JCP_MODEL_CHANGED = "1";
	static String JCP_CLOSING = "2";
	
	String lastEventReason;	
	
	String recentSymbol = "C";

	private static DictionaryDatabase dictdb = null;
	private static ValidatorEngine engine = null;
	private static LoggingTool logger;

	boolean showMenuBar = true;
	boolean showToolBar = true;
	boolean showStatusBar = true;
    boolean showInsertTextField = true;

    protected EventListenerList changeListeners = null;


    /**
     *  Constructor for the panel
     *
     */
    public JChemPaintEditorPanel(){
    this(1, null);
  }


	public JChemPaintEditorPanel(int lines, Dimension panelDimension) {
	    this(lines, panelDimension, false, "stable");
	}

    public JChemPaintEditorPanel(int lines, Dimension panelDimension, String guiString) {
        this(lines, panelDimension, false, guiString);
    }
	/**
	 *  Constructor for the panel
	 *
	 *@param  lines  How many lines should the horizontal toolbar have?
	 */
	public JChemPaintEditorPanel(int lines, Dimension panelDimension, 
                                 boolean isEmbedded, String guiString)
	{
		super();
		if (isEmbedded == true) {
		    this.setEmbedded();
		}
		this.guiString = guiString;
        customizeView();
        super.setJChemPaintModel(new JChemPaintModel(),null);
		setShowToolBar(true, lines);
		if(!guiString.equals("applet")){
			setShowInsertTextField(true);
			
		}
        if (logger == null)
		{
			logger = new LoggingTool(this);
		}
		this.setTransferHandler(new JCPTransferHandler("JCPPanel"));
		logger.debug("JCPPanel set and done...");
		if (panelDimension != null && this.isEmbedded()) {
			super.getJChemPaintModel().getRendererModel().setBackgroundDimension(panelDimension);
			viewerDimension = new Dimension(((int) panelDimension.getWidth()) + 10, ((int) panelDimension.getHeight() + 10));
			super.setPreferredSize(viewerDimension);
		}
	}


	/**
	 *  Tells if a menu is shown
	 *
	 *@return    The showMenu value
	 */
	public boolean getShowMenuBar() {
		return showMenuBar;
	}


	/**
	 *  Sets if a menu is shown
	 *
	 *@param  showMenuBar  The new showMenuBar value
	 */
	public void setShowMenuBar(boolean showMenuBar) {
		this.showMenuBar = showMenuBar;
		customizeView();
	}


	/**
	 *  Tells if a status bar is shown
	 *
	 *@return    The showStatusBar value
	 */
	public boolean getShowStatusBar() {
		return showStatusBar;
	}

    /**
     * Indicates whether the insert text field is shown.
     *
     * @return true is the text field widget is to be shown, false otherwise
     */
    public boolean getShowInsertTextField() {
        return showInsertTextField;
    }

	public void customizeView() {
		if (showMenuBar) {
			if (menu == null) {
				menu = new JChemPaintMenuBar(this, this.guiString);
			}
			add(menu, BorderLayout.NORTH);
			revalidate();
		} else {
			try {
				remove(menu);
				revalidate();
			} catch (Exception exc) {
               logger.debug("Error in removing menu");
			}
		}
		if (showStatusBar) {
			if (statusBar == null) {
				statusBar = new StatusBar();
			}
			add(statusBar, BorderLayout.SOUTH);
			revalidate();
		} else {
			try {
				remove(statusBar);
				revalidate();
			} catch (Exception exc) {
               logger.debug("Error in removing status bar");
			}
		}
	}

	void setupIfModelNotEmpty()
	{
		IAtomContainer ac = jchemPaintModel.getChemModel().getBuilder().newAtomContainer();
		Iterator containers = ChemModelManipulator.getAllAtomContainers(jchemPaintModel.getChemModel()).iterator();
		while (containers.hasNext()) ac.add((IAtomContainer)containers.next());

		Renderer2DModel rendererModel = jchemPaintModel.getRendererModel();
		if (ac.getAtomCount() != 0)
		{
			logger.info("ChemModel is already non-empty! Sizing things to get it visible!");
			// do some magic to get it all in one page
			Dimension oneMoleculeDimension = new Dimension(600, 400);
			// should be based on molecule/reaction size!
			Dimension dimension = makeChemModelFit(
					oneMoleculeDimension, jchemPaintModel.getChemModel()
					);
			rendererModel.setBackgroundDimension(dimension);

			/*
			 *  this code ensures that the molecule ends up somewhere in the model
			 *  of the view screen
			 */
			GeometryTools.translateAllPositive(ac,rendererModel.getRenderingCoordinates());
			double scaleFactor = GeometryTools.getScaleFactor(ac, rendererModel.getBondLength(),jchemPaintModel.getRendererModel().getRenderingCoordinates());
			GeometryTools.scaleMolecule(ac, scaleFactor,rendererModel.getRenderingCoordinates());
			layoutInTable(oneMoleculeDimension, jchemPaintModel.getChemModel(),jchemPaintModel.getRendererModel());
			// GeometryTools.center(ac, getPreferredSize());
			// GeometryTools.center(ac, new Dimension(300,200));
		}
	}

	public void registerModel(JChemPaintModel model)
	{
        String filename = "org/openscience/cdk/applications/jchempaint/resources/text/funcgroups.txt";
        InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
        
        HashMap funcgroups=new HashMap();
        SmilesParser sp=new SmilesParser(DefaultChemObjectBuilder.getInstance());
		StringBuffer sb=new StringBuffer();
		InputStreamReader isr = new InputStreamReader(ins);
		try{
			while(true){
				int i=isr.read();
				if(i==-1){
					break;
				}else if(((char)i)=='\n' || ((char)i)=='\r'){
					if(!sb.toString().equals("")){
						StringTokenizer st=new StringTokenizer(sb.toString());
						String key=(String)st.nextElement();
						String value=(String)st.nextElement();
						funcgroups.put(key, sp.parseSmiles(value));
						sb=new StringBuffer();
					}
				}else{
					sb.append((char)i);
				}
			}
			if(!sb.toString().equals("")){
				StringTokenizer st=new StringTokenizer(sb.toString());
				String key=(String)st.nextElement();
				String value=(String)st.nextElement();
				funcgroups.put(key, sp.parseSmiles(value));
			}
		}catch(Exception ex){
			ex.printStackTrace();
			logger.error("cannot instantiate funcgroupsmap",ex.getMessage());
		}

        
		PopupController2D inputAdapter = new PopupController2D(model.getChemModel(), model.getRendererModel(),model.getControllerModel(), lastAction, this.moveButton, funcgroups);
		JCPUndoRedoHandler undoRedoHandler=new JCPUndoRedoHandler(model.getControllerModel());
		inputAdapter.setUndoRedoHandler(undoRedoHandler);
		setupPopupMenus(inputAdapter);
		Renderer2DModel rendererModel = model.getRendererModel();
		model.getControllerModel().setBondPointerLength(rendererModel.getBondLength());
		model.getControllerModel().setRingPointerLength(rendererModel.getBondLength());

		model.getRendererModel().addCDKChangeListener(this);
		inputAdapter.addCDKChangeListener(model);
		//drawingPanel.setJChemPaintModel(model);
		drawingPanel.addMouseListener(inputAdapter);
		drawingPanel.addMouseMotionListener(inputAdapter);
		//Somehow this registration does not work. If it would, element symbols could be changed via keyboard
		drawingPanel.addKeyListener(inputAdapter);
	}
	

	/**
	 *  Returns the value of showToolbar.
	 *
	 *@return    The showToolbar value
	 */
	public boolean getShowToolBar()
	{
		return showToolBar;
	}
	
		/**
	 * Returns the value of lastEventReason.
	 */
	public String getLastEventReason()
	{
		return lastEventReason;
	}

	/**
	 * Sets the value of lastEventReason.
	 * @param lastEventReason The value to assign lastEventReason.
	 */
	public void setLastEventReason(String lastEventReason)
	{
		this.lastEventReason = lastEventReason;
	}


	/**
	 *  Sets the value of showToolbar.
	 *
	 *@param  showToolBar  The value to assign showToolbar.
	 */
	public void setShowToolBar(boolean showToolBar)
	{
    setShowToolBar(showToolBar, 1);
  }


	/**
	 *  Sets if statusbar should be shown
	 *
	 *@param  showStatusBar  The value to assign showStatusBar.
	 */
	public void setShowStatusBar(boolean showStatusBar) {
		this.showStatusBar = showStatusBar;
		customizeView();
	}

    /**
     * Set to indicate whetehr the insert text field should be used.
     *
     * @param showInsertTextField true is the text entry widget is to be shown
     */
    public void setShowInsertTextField(boolean showInsertTextField) {
        this.showInsertTextField = showInsertTextField;
        if (showInsertTextField) {
            if (insertTextPanel == null) insertTextPanel = new InsertTextPanel(this,null);
            topContainer.add(insertTextPanel, BorderLayout.SOUTH);
        } else {
            topContainer.remove(insertTextPanel);
        }
        mainContainer.revalidate();
    }


    /**
	 *  Sets the value of showToolbar.
	 *
	 *@param  showToolBar  The value to assign showToolbar.
	 */
    public void setShowToolBar(boolean showToolBar, int lines) {
        this.showToolBar = showToolBar;
        if (showToolBar) {
            if (toolBar == null) {
                toolBar = ToolBarMaker.getToolbar(this, lines);
            }
            topContainer.add(toolBar, BorderLayout.NORTH);
            mainContainer.revalidate();
        } else {
            try {
                topContainer.remove(toolBar);
                mainContainer.revalidate();
            } catch (Exception exc) {
                logger.debug("Error in removing tool bar");
            }
        }

    }


	/**
	 *  Overwrites the default background color and returns the color taken from
	 *  the Renderer2DModel.
	 *
	 *@return    The background value
	 */
	public Color getBackground()
	{