/*
* Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
* Copyright (C) $$Year-Rel$$ The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview is free software: you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation, either version 3
* of the License, or (at your option) any later version.
*
* Jalview 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 General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with Jalview. If not, see .
* The Jalview Authors are detailed in the 'AUTHORS' file.
*/
package jalview.appletgui;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.SequenceI;
import jalview.io.AppletFormatAdapter;
import jalview.io.FileParse;
import jalview.schemes.BuriedColourScheme;
import jalview.schemes.HelixColourScheme;
import jalview.schemes.HydrophobicColourScheme;
import jalview.schemes.PurinePyrimidineColourScheme;
import jalview.schemes.StrandColourScheme;
import jalview.schemes.TaylorColourScheme;
import jalview.schemes.TurnColourScheme;
import jalview.schemes.UserColourScheme;
import jalview.schemes.ZappoColourScheme;
import jalview.structure.StructureSelectionManager;
import jalview.util.MessageManager;
import java.awt.BorderLayout;
import java.awt.CheckboxMenuItem;
import java.awt.Color;
import java.awt.Dimension;
import java.awt.Font;
import java.awt.Frame;
import java.awt.Graphics;
import java.awt.Menu;
import java.awt.MenuBar;
import java.awt.MenuItem;
import java.awt.Panel;
import java.awt.TextArea;
import java.awt.TextField;
import java.awt.event.ActionEvent;
import java.awt.event.ActionListener;
import java.awt.event.ItemEvent;
import java.awt.event.ItemListener;
import java.awt.event.KeyEvent;
import java.awt.event.KeyListener;
import java.awt.event.WindowAdapter;
import java.awt.event.WindowEvent;
import java.util.ArrayList;
import java.util.Hashtable;
import java.util.List;
import java.util.Vector;
public class AppletJmol extends EmbmenuFrame implements
// StructureListener,
KeyListener, ActionListener, ItemListener
{
Menu fileMenu = new Menu(MessageManager.getString("action.file"));
Menu viewMenu = new Menu(MessageManager.getString("action.view"));
Menu coloursMenu = new Menu(MessageManager.getString("action.colour"));
Menu chainMenu = new Menu(MessageManager.getString("action.show_chain"));
Menu helpMenu = new Menu(MessageManager.getString("action.help"));
MenuItem mappingMenuItem = new MenuItem(
MessageManager.getString("label.view_mapping"));
CheckboxMenuItem seqColour = new CheckboxMenuItem(
MessageManager.getString("action.by_sequence"), true);
CheckboxMenuItem jmolColour = new CheckboxMenuItem(
MessageManager.getString("action.using_jmol"), false);
MenuItem chain = new MenuItem(MessageManager.getString("action.by_chain"));
MenuItem charge = new MenuItem(
MessageManager.getString("label.charge_cysteine"));
MenuItem zappo = new MenuItem(MessageManager.getString("label.zappo"));
MenuItem taylor = new MenuItem(MessageManager.getString("label.taylor"));
MenuItem hydro = new MenuItem(
MessageManager.getString("label.hydrophobicity"));
MenuItem helix = new MenuItem(
MessageManager.getString("label.helix_propensity"));
MenuItem strand = new MenuItem(
MessageManager.getString("label.strand_propensity"));
MenuItem turn = new MenuItem(
MessageManager.getString("label.turn_propensity"));
MenuItem buried = new MenuItem(
MessageManager.getString("label.buried_index"));
MenuItem purinepyrimidine = new MenuItem(
MessageManager.getString("label.purine_pyrimidine"));
MenuItem user = new MenuItem(
MessageManager.getString("label.user_defined_colours"));
MenuItem jmolHelp = new MenuItem(
MessageManager.getString("label.jmol_help"));
Panel scriptWindow;
TextField inputLine;
TextArea history;
RenderPanel renderPanel;
AlignmentPanel ap;
List _aps = new ArrayList(); // remove? never
// added to
String fileLoadingError;
boolean loadedInline;
// boolean colourBySequence = true;
FeatureRenderer fr = null;
AppletJmolBinding jmb;
/**
* datasource protocol for access to PDBEntry
*/
String protocol = null;
/**
* Load a bunch of pdb entries associated with sequences in the alignment and
* display them - aligning them if necessary.
*
* @param pdbentries
* each pdb file (at least one needed)
* @param boundseqs
* each set of sequences for each pdb file (must match number of pdb
* files)
* @param boundchains
* the target pdb chain corresponding with each sequence associated
* with each pdb file (may be null at any level)
* @param align
* true/false
* @param ap
* associated alignment
* @param protocol
* how to get pdb data
*/
public AppletJmol(PDBEntry[] pdbentries, SequenceI[][] boundseqs,
String[][] boundchains, boolean align, AlignmentPanel ap,
String protocol)
{
throw new Error(MessageManager.getString("error.not_yet_implemented"));
}
public AppletJmol(PDBEntry pdbentry, SequenceI[] seq, String[] chains,
AlignmentPanel ap, String protocol)
{
this.ap = ap;
jmb = new AppletJmolBinding(this, ap.getStructureSelectionManager(),
new PDBEntry[]
{ pdbentry }, new SequenceI[][]
{ seq }, new String[][]
{ chains }, protocol);
jmb.setColourBySequence(true);
if (pdbentry.getId() == null || pdbentry.getId().length() < 1)
{
if (protocol.equals(AppletFormatAdapter.PASTE))
{
pdbentry.setId("PASTED PDB"
+ (chains == null ? "_" : chains.toString()));
}
else
{
pdbentry.setId(pdbentry.getFile());
}
}
if (jalview.bin.JalviewLite.debug)
{
System.err
.println("AppletJmol: PDB ID is '" + pdbentry.getId() + "'");
}
String alreadyMapped = StructureSelectionManager
.getStructureSelectionManager(ap.av.applet)
.alreadyMappedToFile(pdbentry.getId());
MCview.PDBfile reader = null;
if (alreadyMapped != null)
{
reader = StructureSelectionManager.getStructureSelectionManager(
ap.av.applet).setMapping(seq, chains, pdbentry.getFile(),
protocol);
// PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW?
// FOR NOW, LETS JUST OPEN A NEW WINDOW
}
MenuBar menuBar = new MenuBar();
menuBar.add(fileMenu);
fileMenu.add(mappingMenuItem);
menuBar.add(viewMenu);
mappingMenuItem.addActionListener(this);
viewMenu.add(chainMenu);
menuBar.add(coloursMenu);
menuBar.add(helpMenu);
charge.addActionListener(this);
hydro.addActionListener(this);
chain.addActionListener(this);
seqColour.addItemListener(this);
jmolColour.addItemListener(this);
zappo.addActionListener(this);
taylor.addActionListener(this);
helix.addActionListener(this);
strand.addActionListener(this);
turn.addActionListener(this);
buried.addActionListener(this);
purinepyrimidine.addActionListener(this);
user.addActionListener(this);
jmolHelp.addActionListener(this);
coloursMenu.add(seqColour);
coloursMenu.add(chain);
coloursMenu.add(charge);
coloursMenu.add(zappo);
coloursMenu.add(taylor);
coloursMenu.add(hydro);
coloursMenu.add(helix);
coloursMenu.add(strand);
coloursMenu.add(turn);
coloursMenu.add(buried);
coloursMenu.add(purinepyrimidine);
coloursMenu.add(user);
coloursMenu.add(jmolColour);
helpMenu.add(jmolHelp);
this.setLayout(new BorderLayout());
setMenuBar(menuBar);
renderPanel = new RenderPanel();
embedMenuIfNeeded(renderPanel);
this.add(renderPanel, BorderLayout.CENTER);
scriptWindow = new Panel();
scriptWindow.setVisible(false);
// this.add(scriptWindow, BorderLayout.SOUTH);
try
{
jmb.allocateViewer(renderPanel, true, ap.av.applet.getName()
+ "_jmol_", ap.av.applet.getDocumentBase(),
ap.av.applet.getCodeBase(), "-applet", scriptWindow, null);
} catch (Exception e)
{
System.err
.println("Couldn't create a jmol viewer. Args to allocate viewer were:\nDocumentBase="
+ ap.av.applet.getDocumentBase()
+ "\nCodebase="
+ ap.av.applet.getCodeBase());
e.printStackTrace();
dispose();
return;
}
// jmb.newJmolPopup(true, "Jmol", true);
this.addWindowListener(new WindowAdapter()
{
public void windowClosing(WindowEvent evt)
{
closeViewer();
}
});
if (pdbentry.getProperty() == null)
{
pdbentry.setProperty(new Hashtable());
pdbentry.getProperty().put("protocol", protocol);
}
if (pdbentry.getFile() != null)
{
// import structure data from pdbentry.getFile based on given protocol
if (protocol.equals(AppletFormatAdapter.PASTE))
{
// TODO: JAL-623 : correctly record file contents for matching up later
// pdbentry.getProperty().put("pdbfilehash",""+pdbentry.getFile().hashCode());
loadInline(pdbentry.getFile());
}
else if (protocol.equals(AppletFormatAdapter.FILE)
|| protocol.equals(AppletFormatAdapter.URL))
{
jmb.viewer.openFile(pdbentry.getFile());
}
else
{
// probably CLASSLOADER based datasource..
// Try and get a reader on the datasource, and pass that to Jmol
try
{
java.io.Reader freader = null;
if (reader != null)
{
if (jalview.bin.JalviewLite.debug)
{
System.err
.println("AppletJmol:Trying to reuse existing PDBfile IO parser.");
}
// re-use the one we opened earlier
freader = reader.getReader();
}
if (freader == null)
{
if (jalview.bin.JalviewLite.debug)
{
System.err
.println("AppletJmol:Creating new PDBfile IO parser.");
}
FileParse fp = new FileParse(pdbentry.getFile(), protocol);
fp.mark();
// reader = new MCview.PDBfile(fp);
// could set ID, etc.
// if (!reader.isValid())
// {
// throw new Exception("Invalid datasource.
// "+reader.getWarningMessage());
// }
// fp.reset();
freader = fp.getReader();
}
if (freader == null)
{
throw new Exception(MessageManager.getString("exception.invalid_datasource_couldnt_obtain_reader"));
}
jmb.viewer.openReader(pdbentry.getFile(), pdbentry.getId(),
freader);
} catch (Exception e)
{
// give up!
System.err.println("Couldn't access pdbentry id="
+ pdbentry.getId() + " and file=" + pdbentry.getFile()
+ " using protocol=" + protocol);
e.printStackTrace();
}
}
}
jalview.bin.JalviewLite.addFrame(this, jmb.getViewerTitle(), 400, 400);
}
public void loadInline(String string)
{
loadedInline = true;
jmb.loadInline(string);
}
void setChainMenuItems(Vector chains)
{
chainMenu.removeAll();
MenuItem menuItem = new MenuItem(MessageManager.getString("label.all"));
menuItem.addActionListener(this);
chainMenu.add(menuItem);
CheckboxMenuItem menuItemCB;
for (String ch : chains)
{
menuItemCB = new CheckboxMenuItem(ch, true);
menuItemCB.addItemListener(this);
chainMenu.add(menuItemCB);
}
}
boolean allChainsSelected = false;
void centerViewer()
{
Vector toshow = new Vector();
for (int i = 0; i < chainMenu.getItemCount(); i++)
{
if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
{
CheckboxMenuItem item = (CheckboxMenuItem) chainMenu.getItem(i);
if (item.getState())
{
toshow.addElement(item.getLabel());
}
}
}
jmb.centerViewer(toshow);
}
void closeViewer()
{
jmb.closeViewer();
jmb = null;
this.setVisible(false);
}
public void actionPerformed(ActionEvent evt)
{
if (evt.getSource() == mappingMenuItem)
{
jalview.appletgui.CutAndPasteTransfer cap = new jalview.appletgui.CutAndPasteTransfer(
false, null);
Frame frame = new Frame();
frame.add(cap);
StringBuffer sb = new StringBuffer();
try
{
cap.setText(jmb.printMappings());
} catch (OutOfMemoryError ex)
{
frame.dispose();
System.err
.println("Out of memory when trying to create dialog box with sequence-structure mapping.");
return;
}
jalview.bin.JalviewLite.addFrame(frame,
MessageManager.getString("label.pdb_sequence_mapping"), 550,
600);
}
else if (evt.getSource() == charge)
{
setEnabled(charge);
jmb.colourByCharge();
}
else if (evt.getSource() == chain)
{
setEnabled(chain);
jmb.colourByChain();
}
else if (evt.getSource() == zappo)
{
setEnabled(zappo);
jmb.setJalviewColourScheme(new ZappoColourScheme());
}
else if (evt.getSource() == taylor)
{
setEnabled(taylor);
jmb.setJalviewColourScheme(new TaylorColourScheme());
}
else if (evt.getSource() == hydro)
{
setEnabled(hydro);
jmb.setJalviewColourScheme(new HydrophobicColourScheme());
}
else if (evt.getSource() == helix)
{
setEnabled(helix);
jmb.setJalviewColourScheme(new HelixColourScheme());
}
else if (evt.getSource() == strand)
{
setEnabled(strand);
jmb.setJalviewColourScheme(new StrandColourScheme());
}
else if (evt.getSource() == turn)
{
setEnabled(turn);
jmb.setJalviewColourScheme(new TurnColourScheme());
}
else if (evt.getSource() == buried)
{
setEnabled(buried);
jmb.setJalviewColourScheme(new BuriedColourScheme());
}
else if (evt.getSource() == purinepyrimidine)
{
jmb.setJalviewColourScheme(new PurinePyrimidineColourScheme());
}
else if (evt.getSource() == user)
{
setEnabled(user);
new UserDefinedColours(this);
}
else if (evt.getSource() == jmolHelp)
{
try
{
ap.av.applet.getAppletContext().showDocument(
new java.net.URL(
"http://jmol.sourceforge.net/docs/JmolUserGuide/"),
"jmolHelp");
} catch (java.net.MalformedURLException ex)
{
}
}
else
{
allChainsSelected = true;
for (int i = 0; i < chainMenu.getItemCount(); i++)
{
if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
{
((CheckboxMenuItem) chainMenu.getItem(i)).setState(true);
}
}
centerViewer();
allChainsSelected = false;
}
}
/**
* tick or untick the seqColour menu entry or jmoColour entry depending upon
* if it was selected or not.
*
* @param itm
*/
private void setEnabled(MenuItem itm)
{
jmolColour.setState(itm == jmolColour);
seqColour.setState(itm == seqColour);
jmb.setColourBySequence(itm == seqColour);
}
public void itemStateChanged(ItemEvent evt)
{
if (evt.getSource() == jmolColour)
{
setEnabled(jmolColour);
jmb.setColourBySequence(false);
}
else if (evt.getSource() == seqColour)
{
setEnabled(seqColour);
jmb.colourBySequence(ap);
}
else if (!allChainsSelected)
{
centerViewer();
}
}
public void keyPressed(KeyEvent evt)
{
if (evt.getKeyCode() == KeyEvent.VK_ENTER && scriptWindow.isVisible())
{
jmb.eval(inputLine.getText());
history.append("\n$ " + inputLine.getText());
inputLine.setText("");
}
}
public void keyTyped(KeyEvent evt)
{
}
public void keyReleased(KeyEvent evt)
{
}
public void updateColours(Object source)
{
AlignmentPanel panel = (AlignmentPanel) source;
jmb.colourBySequence(panel);
}
public void updateTitleAndMenus()
{
if (jmb.fileLoadingError != null && jmb.fileLoadingError.length() > 0)
{
repaint();
return;
}
setChainMenuItems(jmb.chainNames);
jmb.colourBySequence(ap);
setTitle(jmb.getViewerTitle());
}
public void showUrl(String url)
{
try
{
ap.av.applet.getAppletContext().showDocument(new java.net.URL(url),
"jmolOutput");
} catch (java.net.MalformedURLException ex)
{
}
}
Panel splitPane = null;
public void showConsole(boolean showConsole)
{
if (showConsole)
{
remove(renderPanel);
splitPane = new Panel();
splitPane.setLayout(new java.awt.GridLayout(2, 1));
splitPane.add(renderPanel);
splitPane.add(scriptWindow);
scriptWindow.setVisible(true);
this.add(splitPane, BorderLayout.CENTER);
splitPane.setVisible(true);
splitPane.validate();
}
else
{
scriptWindow.setVisible(false);
remove(splitPane);
add(renderPanel, BorderLayout.CENTER);
splitPane = null;
}
validate();
}
public float[][] functionXY(String functionName, int x, int y)
{
return null;
}
// /End JmolStatusListener
// /////////////////////////////
class RenderPanel extends Panel
{
Dimension currentSize = new Dimension();
public void update(Graphics g)
{
paint(g);
}
public void paint(Graphics g)
{
currentSize = this.getSize();
if (jmb.viewer == null)
{
g.setColor(Color.black);
g.fillRect(0, 0, currentSize.width, currentSize.height);
g.setColor(Color.white);
g.setFont(new Font("Verdana", Font.BOLD, 14));
g.drawString(MessageManager.getString("label.retrieving_pdb_data"),
20, currentSize.height / 2);
}
else
{
jmb.viewer.renderScreenImage(g, currentSize.width,
currentSize.height);
}
}
}
/*
* @Override public Color getColour(int atomIndex, int pdbResNum, String
* chain, String pdbId) { return jmb.getColour(atomIndex, pdbResNum, chain,
* pdbId); }
*
* @Override public String[] getPdbFile() { return jmb.getPdbFile(); }
*
* @Override public void highlightAtom(int atomIndex, int pdbResNum, String
* chain, String pdbId) { jmb.highlightAtom(atomIndex, pdbResNum, chain,
* pdbId);
*
* }
*
* @Override public void mouseOverStructure(int atomIndex, String strInfo) {
* jmb.mouseOverStructure(atomIndex, strInfo);
*
* }
*/
public void setJalviewColourScheme(UserColourScheme ucs)
{
jmb.setJalviewColourScheme(ucs);
}
public AlignmentPanel getAlignmentPanelFor(AlignmentI alignment)
{
for (int i = 0; i < _aps.size(); i++)
{
if (_aps.get(i).av.getAlignment() == alignment)
{
return (_aps.get(i));
}
}
return ap;
}
}