2 * Jalview - A Sequence Alignment Editor and Viewer (Version 2.5)
3 * Copyright (C) 2010 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle
5 * This file is part of Jalview.
7 * Jalview is free software: you can redistribute it and/or
8 * modify it under the terms of the GNU General Public License
9 * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
11 * Jalview is distributed in the hope that it will be useful, but
12 * WITHOUT ANY WARRANTY; without even the implied warranty
13 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
14 * PURPOSE. See the GNU General Public License for more details.
16 * You should have received a copy of the GNU General Public License along with Jalview. If not, see <http://www.gnu.org/licenses/>.
18 package jalview.appletgui;
22 import java.awt.event.*;
24 import jalview.api.SequenceStructureBinding;
25 import jalview.datamodel.*;
26 import jalview.structure.*;
29 import org.jmol.api.*;
31 import org.jmol.popup.*;
32 import org.jmol.viewer.JmolConstants;
34 import jalview.schemes.*;
36 public class AppletJmol extends EmbmenuFrame implements
38 KeyListener, ActionListener, ItemListener, SequenceStructureBinding
41 Menu fileMenu = new Menu("File");
43 Menu viewMenu = new Menu("View");
45 Menu coloursMenu = new Menu("Colours");
47 Menu chainMenu = new Menu("Show Chain");
49 Menu helpMenu = new Menu("Help");
51 MenuItem mappingMenuItem = new MenuItem("View Mapping");
53 CheckboxMenuItem seqColour = new CheckboxMenuItem("By Sequence", true);
55 MenuItem chain = new MenuItem("By Chain");
57 MenuItem charge = new MenuItem("Charge & Cysteine");
59 MenuItem zappo = new MenuItem("Zappo");
61 MenuItem taylor = new MenuItem("Taylor");
63 MenuItem hydro = new MenuItem("Hydrophobicity");
65 MenuItem helix = new MenuItem("Helix Propensity");
67 MenuItem strand = new MenuItem("Strand Propensity");
69 MenuItem turn = new MenuItem("Turn Propensity");
71 MenuItem buried = new MenuItem("Buried Index");
73 MenuItem user = new MenuItem("User Defined Colours");
75 MenuItem jmolHelp = new MenuItem("Jmol Help");
83 RenderPanel renderPanel;
87 String fileLoadingError;
91 // boolean colourBySequence = true;
93 FeatureRenderer fr = null;
95 AppletJmolBinding jmb;
98 * datasource protocol for access to PDBEntry
100 String protocol = null;
102 public AppletJmol(PDBEntry pdbentry, SequenceI[] seq, String[] chains,
103 AlignmentPanel ap, String protocol)
106 jmb = new AppletJmolBinding(this, new PDBEntry[]
107 { pdbentry }, seq, chains, protocol);
108 jmb.setColourBySequence(true);
109 if (pdbentry.getId() == null || pdbentry.getId().length() < 1)
111 if (protocol.equals(AppletFormatAdapter.PASTE))
113 pdbentry.setId("PASTED PDB"
114 + (chains == null ? "_" : chains.toString()));
118 pdbentry.setId(pdbentry.getFile());
122 if (jalview.bin.JalviewLite.debug)
125 .println("AppletJmol: PDB ID is '" + pdbentry.getId() + "'");
128 String alreadyMapped = StructureSelectionManager
129 .getStructureSelectionManager().alreadyMappedToFile(
131 MCview.PDBfile reader = null;
132 if (alreadyMapped != null)
134 reader = StructureSelectionManager.getStructureSelectionManager()
135 .setMapping(seq, chains, pdbentry.getFile(), protocol);
136 // PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW?
137 // FOR NOW, LETS JUST OPEN A NEW WINDOW
139 MenuBar menuBar = new MenuBar();
140 menuBar.add(fileMenu);
141 fileMenu.add(mappingMenuItem);
142 menuBar.add(viewMenu);
143 mappingMenuItem.addActionListener(this);
144 viewMenu.add(chainMenu);
145 menuBar.add(coloursMenu);
146 menuBar.add(helpMenu);
148 charge.addActionListener(this);
149 hydro.addActionListener(this);
150 chain.addActionListener(this);
151 seqColour.addItemListener(this);
152 zappo.addActionListener(this);
153 taylor.addActionListener(this);
154 helix.addActionListener(this);
155 strand.addActionListener(this);
156 turn.addActionListener(this);
157 buried.addActionListener(this);
158 user.addActionListener(this);
160 jmolHelp.addActionListener(this);
162 coloursMenu.add(seqColour);
163 coloursMenu.add(chain);
164 coloursMenu.add(charge);
165 coloursMenu.add(zappo);
166 coloursMenu.add(taylor);
167 coloursMenu.add(hydro);
168 coloursMenu.add(helix);
169 coloursMenu.add(strand);
170 coloursMenu.add(turn);
171 coloursMenu.add(buried);
172 coloursMenu.add(user);
174 helpMenu.add(jmolHelp);
178 renderPanel = new RenderPanel();
179 embedMenuIfNeeded(renderPanel);
180 this.add(renderPanel, BorderLayout.CENTER);
181 jmb.allocateViewer(renderPanel,
182 "jalviewJmol", ap.av.applet.getDocumentBase(), ap.av.applet
184 jmb.newJmolPopup(true, "Jmol", true);
186 this.addWindowListener(new WindowAdapter()
188 public void windowClosing(WindowEvent evt)
194 if (pdbentry.getFile() != null)
196 // import structure data from pdbentry.getFile based on given protocol
197 if (protocol.equals(AppletFormatAdapter.PASTE))
199 loadInline(pdbentry.getFile());
201 else if (protocol.equals(AppletFormatAdapter.FILE)
202 || protocol.equals(AppletFormatAdapter.URL))
204 jmb.viewer.openFile(pdbentry.getFile());
208 // probably CLASSLOADER based datasource..
209 // Try and get a reader on the datasource, and pass that to Jmol
212 java.io.Reader freader = null;
215 if (jalview.bin.JalviewLite.debug)
218 .println("AppletJmol:Trying to reuse existing PDBfile IO parser.");
220 // re-use the one we opened earlier
221 freader = reader.getReader();
225 if (jalview.bin.JalviewLite.debug)
228 .println("AppletJmol:Creating new PDBfile IO parser.");
230 FileParse fp = new FileParse(pdbentry.getFile(), protocol);
232 // reader = new MCview.PDBfile(fp);
233 // could set ID, etc.
234 // if (!reader.isValid())
236 // throw new Exception("Invalid datasource.
237 // "+reader.getWarningMessage());
240 freader = fp.getReader();
245 "Invalid datasource. Could not obtain Reader.");
247 jmb.viewer.openReader(pdbentry.getFile(), pdbentry.getId(), freader);
248 } catch (Exception e)
251 System.err.println("Couldn't access pdbentry id="
252 + pdbentry.getId() + " and file=" + pdbentry.getFile()
253 + " using protocol=" + protocol);
259 jalview.bin.JalviewLite.addFrame(this, jmb.getViewerTitle(), 400, 400);
263 * create a new binding between structures in an existing jmol viewer instance
264 * and an alignpanel with sequences that have existing PDBFile entries. Note,
265 * this does not open a new Jmol window, or modify the display of the
266 * structures in the original jmol window.
271 * - sequences to search for associations
273 public AppletJmol(JmolViewer viewer2, AlignmentPanel alignPanel,
277 // TODO Auto-generated constructor stub
280 public void loadInline(String string)
283 jmb.viewer.openStringInline(string);
286 void setChainMenuItems(Vector chains)
288 chainMenu.removeAll();
290 MenuItem menuItem = new MenuItem("All");
291 menuItem.addActionListener(this);
293 chainMenu.add(menuItem);
295 CheckboxMenuItem menuItemCB;
296 for (int c = 0; c < chains.size(); c++)
298 menuItemCB = new CheckboxMenuItem(chains.elementAt(c).toString(),
300 menuItemCB.addItemListener(this);
301 chainMenu.add(menuItemCB);
305 boolean allChainsSelected = false;
309 Vector toshow = new Vector();
311 int mlength, p, mnum;
312 for (int i = 0; i < chainMenu.getItemCount(); i++)
314 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
316 CheckboxMenuItem item = (CheckboxMenuItem) chainMenu.getItem(i);
319 toshow.addElement(item.getLabel());
323 jmb.centerViewer(toshow);
330 this.setVisible(false);
333 public void actionPerformed(ActionEvent evt)
335 if (evt.getSource() == mappingMenuItem)
337 jalview.appletgui.CutAndPasteTransfer cap = new jalview.appletgui.CutAndPasteTransfer(
339 Frame frame = new Frame();
342 jalview.bin.JalviewLite.addFrame(frame, "PDB - Sequence Mapping",
344 StringBuffer sb = new StringBuffer();
345 for (int s = 0; s < jmb.pdbentry.length; s++)
347 sb.append(StructureSelectionManager.getStructureSelectionManager()
348 .printMapping(jmb.pdbentry[s].getFile()));
352 else if (evt.getSource() == charge)
355 jmb.colourByCharge();
358 else if (evt.getSource() == chain)
363 else if (evt.getSource() == zappo)
366 jmb.setJalviewColourScheme(new ZappoColourScheme());
368 else if (evt.getSource() == taylor)
371 jmb.setJalviewColourScheme(new TaylorColourScheme());
373 else if (evt.getSource() == hydro)
376 jmb.setJalviewColourScheme(new HydrophobicColourScheme());
378 else if (evt.getSource() == helix)
381 jmb.setJalviewColourScheme(new HelixColourScheme());
383 else if (evt.getSource() == strand)
386 jmb.setJalviewColourScheme(new StrandColourScheme());
388 else if (evt.getSource() == turn)
391 jmb.setJalviewColourScheme(new TurnColourScheme());
393 else if (evt.getSource() == buried)
396 jmb.setJalviewColourScheme(new BuriedColourScheme());
398 else if (evt.getSource() == user)
401 new UserDefinedColours(this);
403 else if (evt.getSource() == jmolHelp)
407 ap.av.applet.getAppletContext().showDocument(
409 "http://jmol.sourceforge.net/docs/JmolUserGuide/"),
411 } catch (java.net.MalformedURLException ex)
417 allChainsSelected = true;
418 for (int i = 0; i < chainMenu.getItemCount(); i++)
420 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
421 ((CheckboxMenuItem) chainMenu.getItem(i)).setState(true);
425 allChainsSelected = false;
430 * tick or untick the seqColour menu entry depending upon if it was selected or not.
433 private void setEnabled(MenuItem itm)
435 seqColour.setState(itm==seqColour);
436 jmb.setColourBySequence(itm==seqColour);
439 public void itemStateChanged(ItemEvent evt)
441 if (evt.getSource() == seqColour)
443 setEnabled(seqColour);
445 .colourBySequence(ap.av.getShowSequenceFeatures(),
448 else if (!allChainsSelected)
452 public void keyPressed(KeyEvent evt)
454 if (evt.getKeyCode() == KeyEvent.VK_ENTER && scriptWindow.isVisible())
456 jmb.eval(inputLine.getText());
457 history.append("\n$ " + inputLine.getText());
458 inputLine.setText("");
463 public void keyTyped(KeyEvent evt)
467 public void keyReleased(KeyEvent evt)
471 public void updateColours(Object source)
473 AlignmentPanel ap = (AlignmentPanel) source;
474 jmb.colourBySequence(ap.av.getShowSequenceFeatures(), ap.av.alignment);
477 public void updateTitleAndMenus()
479 if (jmb.fileLoadingError != null && jmb.fileLoadingError.length() > 0)
484 setChainMenuItems(jmb.chainNames);
485 jmb.colourBySequence(ap.av.getShowSequenceFeatures(), ap.av.alignment);
487 setTitle(jmb.getViewerTitle());
490 public void showUrl(String url)
494 ap.av.applet.getAppletContext().showDocument(new java.net.URL(url),
496 } catch (java.net.MalformedURLException ex)
501 public void showConsole(boolean showConsole)
503 if (scriptWindow == null)
505 scriptWindow = new Panel(new BorderLayout());
506 inputLine = new TextField();
507 history = new TextArea(5, 40);
508 scriptWindow.add(history, BorderLayout.CENTER);
509 scriptWindow.add(inputLine, BorderLayout.SOUTH);
510 add(scriptWindow, BorderLayout.SOUTH);
511 scriptWindow.setVisible(false);
512 history.setEditable(false);
513 inputLine.addKeyListener(this);
516 scriptWindow.setVisible(!scriptWindow.isVisible());
520 public float[][] functionXY(String functionName, int x, int y)
525 // /End JmolStatusListener
526 // /////////////////////////////
528 class RenderPanel extends Panel
530 Dimension currentSize = new Dimension();
532 Rectangle rectClip = new Rectangle();
534 public void update(Graphics g)
539 public void paint(Graphics g)
541 currentSize = this.getSize();
542 rectClip = g.getClipBounds();
544 if (jmb.viewer == null)
546 g.setColor(Color.black);
547 g.fillRect(0, 0, currentSize.width, currentSize.height);
548 g.setColor(Color.white);
549 g.setFont(new Font("Verdana", Font.BOLD, 14));
550 g.drawString("Retrieving PDB data....", 20, currentSize.height / 2);
554 jmb.viewer.renderScreenImage(g, currentSize, rectClip);
560 public Color getColour(int atomIndex, int pdbResNum, String chain,
563 return jmb.getColour(atomIndex, pdbResNum, chain, pdbId);
567 public String[] getPdbFile()
569 return jmb.getPdbFile();
573 public void highlightAtom(int atomIndex, int pdbResNum, String chain,
576 jmb.highlightAtom(atomIndex, pdbResNum, chain, pdbId);
581 public void mouseOverStructure(int atomIndex, String strInfo)
583 jmb.mouseOverStructure(atomIndex, strInfo);
587 public void setJalviewColourScheme(UserColourScheme ucs)
589 jmb.setJalviewColourScheme(ucs);