2 * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3 * Copyright (C) $$Year-Rel$$ The Jalview Authors
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
10 * of the License, or (at your option) any later version.
12 * Jalview is distributed in the hope that it will be useful, but
13 * WITHOUT ANY WARRANTY; without even the implied warranty
14 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
15 * PURPOSE. See the GNU General Public License for more details.
17 * You should have received a copy of the GNU General Public License
18 * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
19 * The Jalview Authors are detailed in the 'AUTHORS' file.
21 package jalview.appletgui;
23 import jalview.bin.JalviewLite;
24 import jalview.datamodel.AlignmentI;
25 import jalview.datamodel.PDBEntry;
26 import jalview.datamodel.SequenceI;
27 import jalview.io.DataSourceType;
28 import jalview.io.FileParse;
29 import jalview.io.StructureFile;
30 import jalview.schemes.BuriedColourScheme;
31 import jalview.schemes.ColourSchemeI;
32 import jalview.schemes.HelixColourScheme;
33 import jalview.schemes.HydrophobicColourScheme;
34 import jalview.schemes.PurinePyrimidineColourScheme;
35 import jalview.schemes.StrandColourScheme;
36 import jalview.schemes.TaylorColourScheme;
37 import jalview.schemes.TurnColourScheme;
38 import jalview.schemes.UserColourScheme;
39 import jalview.schemes.ZappoColourScheme;
40 import jalview.structure.StructureSelectionManager;
41 import jalview.structures.models.AAStructureBindingModel.ColourBy;
42 import jalview.util.MessageManager;
44 import java.awt.BorderLayout;
45 import java.awt.CheckboxMenuItem;
46 import java.awt.Color;
47 import java.awt.Dimension;
49 import java.awt.Frame;
50 import java.awt.Graphics;
52 import java.awt.MenuBar;
53 import java.awt.MenuItem;
54 import java.awt.Panel;
55 import java.awt.TextArea;
56 import java.awt.TextField;
57 import java.awt.event.ActionEvent;
58 import java.awt.event.ActionListener;
59 import java.awt.event.ItemEvent;
60 import java.awt.event.ItemListener;
61 import java.awt.event.KeyEvent;
62 import java.awt.event.KeyListener;
63 import java.awt.event.WindowAdapter;
64 import java.awt.event.WindowEvent;
65 import java.util.ArrayList;
66 import java.util.List;
67 import java.util.Vector;
69 public class AppletJmol extends EmbmenuFrame implements
71 KeyListener, ActionListener, ItemListener
74 Menu fileMenu = new Menu(MessageManager.getString("action.file"));
76 Menu viewMenu = new Menu(MessageManager.getString("action.view"));
78 Menu coloursMenu = new Menu(MessageManager.getString("action.colour"));
80 Menu chainMenu = new Menu(MessageManager.getString("action.show_chain"));
82 Menu helpMenu = new Menu(MessageManager.getString("action.help"));
84 MenuItem mappingMenuItem = new MenuItem(
85 MessageManager.getString("label.view_mapping"));
87 CheckboxMenuItem seqColour = new CheckboxMenuItem(
88 MessageManager.getString("action.by_sequence"), true);
90 CheckboxMenuItem jmolColour = new CheckboxMenuItem(
91 MessageManager.getString("action.using_jmol"), false);
93 MenuItem chain = new MenuItem(
94 MessageManager.getString("action.by_chain"));
96 MenuItem charge = new MenuItem(
97 MessageManager.getString("label.charge_cysteine"));
99 MenuItem zappo = new MenuItem(
100 MessageManager.getString("label.colourScheme_zappo"));
102 MenuItem taylor = new MenuItem(
103 MessageManager.getString("label.colourScheme_taylor"));
105 MenuItem hydro = new MenuItem(
106 MessageManager.getString("label.colourScheme_hydrophobic"));
108 MenuItem helix = new MenuItem(
109 MessageManager.getString("label.colourScheme_helix_propensity"));
111 MenuItem strand = new MenuItem(
112 MessageManager.getString("label.colourScheme_strand_propensity"));
114 MenuItem turn = new MenuItem(
115 MessageManager.getString("label.colourScheme_turn_propensity"));
117 MenuItem buried = new MenuItem(
118 MessageManager.getString("label.colourScheme_buried_index"));
120 MenuItem purinepyrimidine = new MenuItem(
121 MessageManager.getString("label.colourScheme_purine/pyrimidine"));
123 MenuItem user = new MenuItem(
124 MessageManager.getString("label.user_defined_colours"));
126 MenuItem jmolHelp = new MenuItem(
127 MessageManager.getString("label.jmol_help"));
135 RenderPanel renderPanel;
139 List<AlignmentPanel> _aps = new ArrayList<>(); // remove? never
142 String fileLoadingError;
144 boolean loadedInline;
146 // boolean colourBySequence = true;
148 FeatureRenderer fr = null;
150 AppletJmolBinding jmb;
153 * datasource protocol for access to PDBEntry
155 String protocol = null;
158 * Load a bunch of pdb entries associated with sequences in the alignment and
159 * display them - aligning them if necessary.
162 * each pdb file (at least one needed)
164 * each set of sequences for each pdb file (must match number of pdb
167 * the target pdb chain corresponding with each sequence associated
168 * with each pdb file (may be null at any level)
172 * associated alignment
174 * how to get pdb data
176 public AppletJmol(PDBEntry[] pdbentries, SequenceI[][] boundseqs,
177 String[][] boundchains, boolean align, AlignmentPanel ap,
180 throw new Error(MessageManager.getString("error.not_yet_implemented"));
183 public AppletJmol(PDBEntry pdbentry, SequenceI[] seq, String[] chains,
184 AlignmentPanel ap, DataSourceType protocol)
187 jmb = new AppletJmolBinding(this, ap.getStructureSelectionManager(),
189 { pdbentry }, new SequenceI[][] { seq }, protocol);
190 jmb.setColourBy(ColourBy.Sequence);
191 if (pdbentry.getId() == null || pdbentry.getId().length() < 1)
193 if (protocol == DataSourceType.PASTE)
196 "PASTED PDB" + (chains == null ? "_" : chains.toString()));
200 pdbentry.setId(pdbentry.getFile());
204 if (JalviewLite.debug)
207 .println("AppletJmol: PDB ID is '" + pdbentry.getId() + "'");
210 String alreadyMapped = StructureSelectionManager
211 .getStructureSelectionManager(ap.av.applet)
212 .alreadyMappedToFile(pdbentry.getId());
213 StructureFile reader = null;
214 if (alreadyMapped != null)
216 reader = StructureSelectionManager
217 .getStructureSelectionManager(ap.av.applet)
218 .setMapping(seq, chains, pdbentry.getFile(), protocol, null);
219 // PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW?
220 // FOR NOW, LETS JUST OPEN A NEW WINDOW
222 MenuBar menuBar = new MenuBar();
223 menuBar.add(fileMenu);
224 fileMenu.add(mappingMenuItem);
225 menuBar.add(viewMenu);
226 mappingMenuItem.addActionListener(this);
227 viewMenu.add(chainMenu);
228 menuBar.add(coloursMenu);
229 menuBar.add(helpMenu);
231 charge.addActionListener(this);
232 hydro.addActionListener(this);
233 chain.addActionListener(this);
234 seqColour.addItemListener(this);
235 jmolColour.addItemListener(this);
236 zappo.addActionListener(this);
237 taylor.addActionListener(this);
238 helix.addActionListener(this);
239 strand.addActionListener(this);
240 turn.addActionListener(this);
241 buried.addActionListener(this);
242 purinepyrimidine.addActionListener(this);
243 user.addActionListener(this);
245 jmolHelp.addActionListener(this);
247 coloursMenu.add(seqColour);
248 coloursMenu.add(chain);
249 coloursMenu.add(charge);
250 coloursMenu.add(zappo);
251 coloursMenu.add(taylor);
252 coloursMenu.add(hydro);
253 coloursMenu.add(helix);
254 coloursMenu.add(strand);
255 coloursMenu.add(turn);
256 coloursMenu.add(buried);
257 coloursMenu.add(purinepyrimidine);
258 coloursMenu.add(user);
259 coloursMenu.add(jmolColour);
260 helpMenu.add(jmolHelp);
261 this.setLayout(new BorderLayout());
265 renderPanel = new RenderPanel();
266 embedMenuIfNeeded(renderPanel);
267 this.add(renderPanel, BorderLayout.CENTER);
268 scriptWindow = new Panel();
269 scriptWindow.setVisible(false);
270 // this.add(scriptWindow, BorderLayout.SOUTH);
274 jmb.allocateViewer(renderPanel, true,
275 ap.av.applet.getName() + "_jmol_",
276 ap.av.applet.getDocumentBase(), ap.av.applet.getCodeBase(),
277 "-applet", scriptWindow, null);
278 } catch (Exception e)
281 "Couldn't create a jmol viewer. Args to allocate viewer were:\nDocumentBase="
282 + ap.av.applet.getDocumentBase() + "\nCodebase="
283 + ap.av.applet.getCodeBase());
288 // jmb.newJmolPopup(true, "Jmol", true);
290 this.addWindowListener(new WindowAdapter()
293 public void windowClosing(WindowEvent evt)
298 pdbentry.setProperty("protocol", protocol);
299 if (pdbentry.getFile() != null)
302 // import structure data from pdbentry.getFile based on given protocol
303 if (protocol == DataSourceType.PASTE)
305 // TODO: JAL-623 : correctly record file contents for matching up later
306 // pdbentry.getProperty().put("pdbfilehash",""+pdbentry.getFile().hashCode());
307 loadInline(pdbentry.getFile());
309 else if (protocol == DataSourceType.FILE
310 || protocol == DataSourceType.URL)
312 jmb.viewer.openFile(pdbentry.getFile());
316 // probably CLASSLOADER based datasource..
317 // Try and get a reader on the datasource, and pass that to Jmol
320 java.io.Reader freader = null;
323 if (jalview.bin.JalviewLite.debug)
326 "AppletJmol:Trying to reuse existing PDBfile IO parser.");
328 // re-use the one we opened earlier
329 freader = reader.getReader();
333 if (jalview.bin.JalviewLite.debug)
336 "AppletJmol:Creating new PDBfile IO parser.");
338 FileParse fp = new FileParse(pdbentry.getFile(), protocol);
340 // reader = new MCview.PDBfile(fp);
341 // could set ID, etc.
342 // if (!reader.isValid())
344 // throw new Exception("Invalid datasource.
345 // "+reader.getWarningMessage());
348 freader = fp.getReader();
352 throw new Exception(MessageManager.getString(
353 "exception.invalid_datasource_couldnt_obtain_reader"));
355 jmb.viewer.openReader(pdbentry.getFile(), pdbentry.getId(),
357 } catch (Exception e)
360 System.err.println("Couldn't access pdbentry id="
361 + pdbentry.getId() + " and file=" + pdbentry.getFile()
362 + " using protocol=" + protocol);
368 jalview.bin.JalviewLite.addFrame(this, jmb.getViewerTitle(), 400, 400);
371 public void loadInline(String string)
374 jmb.loadInline(string);
377 void setChainMenuItems(List<String> chains)
379 chainMenu.removeAll();
381 MenuItem menuItem = new MenuItem(MessageManager.getString("label.all"));
382 menuItem.addActionListener(this);
384 chainMenu.add(menuItem);
386 CheckboxMenuItem menuItemCB;
387 for (String ch : chains)
389 menuItemCB = new CheckboxMenuItem(ch, true);
390 menuItemCB.addItemListener(this);
391 chainMenu.add(menuItemCB);
395 boolean allChainsSelected = false;
399 Vector<String> toshow = new Vector<>();
400 for (int i = 0; i < chainMenu.getItemCount(); i++)
402 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
404 CheckboxMenuItem item = (CheckboxMenuItem) chainMenu.getItem(i);
407 toshow.addElement(item.getLabel());
411 jmb.centerViewer(toshow);
418 this.setVisible(false);
422 public void actionPerformed(ActionEvent evt)
424 if (evt.getSource() == mappingMenuItem)
426 jalview.appletgui.CutAndPasteTransfer cap = new jalview.appletgui.CutAndPasteTransfer(
428 Frame frame = new Frame();
431 StringBuffer sb = new StringBuffer();
434 cap.setText(jmb.printMappings());
435 } catch (OutOfMemoryError ex)
439 "Out of memory when trying to create dialog box with sequence-structure mapping.");
442 jalview.bin.JalviewLite.addFrame(frame,
443 MessageManager.getString("label.pdb_sequence_mapping"), 550,
446 else if (evt.getSource() == charge)
449 jmb.colourByCharge();
452 else if (evt.getSource() == chain)
457 else if (evt.getSource() == zappo)
460 setColourScheme(new ZappoColourScheme());
462 else if (evt.getSource() == taylor)
465 setColourScheme(new TaylorColourScheme());
467 else if (evt.getSource() == hydro)
470 setColourScheme(new HydrophobicColourScheme());
472 else if (evt.getSource() == helix)
475 setColourScheme(new HelixColourScheme());
477 else if (evt.getSource() == strand)
480 setColourScheme(new StrandColourScheme());
482 else if (evt.getSource() == turn)
485 setColourScheme(new TurnColourScheme());
487 else if (evt.getSource() == buried)
490 setColourScheme(new BuriedColourScheme());
492 else if (evt.getSource() == purinepyrimidine)
494 setColourScheme(new PurinePyrimidineColourScheme());
496 else if (evt.getSource() == user)
499 new UserDefinedColours(this);
501 else if (evt.getSource() == jmolHelp)
505 ap.av.applet.getAppletContext()
506 .showDocument(new java.net.URL(
507 "http://jmol.sourceforge.net/docs/JmolUserGuide/"),
509 } catch (java.net.MalformedURLException ex)
515 allChainsSelected = true;
516 for (int i = 0; i < chainMenu.getItemCount(); i++)
518 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
520 ((CheckboxMenuItem) chainMenu.getItem(i)).setState(true);
525 allChainsSelected = false;
529 private void setColourScheme(ColourSchemeI cs)
531 jmb.setJalviewColourScheme(cs, ap);
535 * tick or untick the seqColour menu entry or jmoColour entry depending upon
536 * if it was selected or not.
540 private void setEnabled(MenuItem itm)
542 jmolColour.setState(itm == jmolColour);
543 seqColour.setState(itm == seqColour);
544 jmb.setColourBy(itm == seqColour ? ColourBy.Sequence : ColourBy.Viewer);
548 public void itemStateChanged(ItemEvent evt)
550 if (evt.getSource() == jmolColour)
552 setEnabled(jmolColour);
553 jmb.setColourBy(ColourBy.Viewer);
555 else if (evt.getSource() == seqColour)
557 setEnabled(seqColour);
558 jmb.colourBySequence(ap);
560 else if (!allChainsSelected)
567 public void keyPressed(KeyEvent evt)
569 if (evt.getKeyCode() == KeyEvent.VK_ENTER && scriptWindow.isVisible())
571 jmb.eval(inputLine.getText());
572 addToHistory("$ " + inputLine.getText());
573 inputLine.setText("");
579 public void keyTyped(KeyEvent evt)
584 public void keyReleased(KeyEvent evt)
588 public void updateColours(Object source)
590 AlignmentPanel panel = (AlignmentPanel) source;
591 jmb.colourBySequence(panel);
594 public void updateTitleAndMenus()
596 if (jmb.hasFileLoadingError())
601 setChainMenuItems(jmb.getChainNames());
602 jmb.colourBySequence(ap);
604 setTitle(jmb.getViewerTitle());
607 public void showUrl(String url)
611 ap.av.applet.getAppletContext().showDocument(new java.net.URL(url),
613 } catch (java.net.MalformedURLException ex)
618 Panel splitPane = null;
620 public void showConsole(boolean showConsole)
625 splitPane = new Panel();
627 splitPane.setLayout(new java.awt.GridLayout(2, 1));
628 splitPane.add(renderPanel);
629 splitPane.add(scriptWindow);
630 scriptWindow.setVisible(true);
631 this.add(splitPane, BorderLayout.CENTER);
632 splitPane.setVisible(true);
633 splitPane.validate();
637 scriptWindow.setVisible(false);
639 add(renderPanel, BorderLayout.CENTER);
645 public float[][] functionXY(String functionName, int x, int y)
650 // /End JmolStatusListener
651 // /////////////////////////////
653 class RenderPanel extends Panel
655 Dimension currentSize = new Dimension();
658 public void update(Graphics g)
664 public void paint(Graphics g)
666 currentSize = this.getSize();
668 if (jmb.viewer == null)
670 g.setColor(Color.black);
671 g.fillRect(0, 0, currentSize.width, currentSize.height);
672 g.setColor(Color.white);
673 g.setFont(new Font("Verdana", Font.BOLD, 14));
674 g.drawString(MessageManager.getString("label.retrieving_pdb_data"),
675 20, currentSize.height / 2);
679 jmb.viewer.renderScreenImage(g, currentSize.width,
686 * @Override public Color getColour(int atomIndex, int pdbResNum, String
687 * chain, String pdbId) { return jmb.getColour(atomIndex, pdbResNum, chain,
690 * @Override public String[] getPdbFile() { return jmb.getPdbFile(); }
692 * @Override public void highlightAtom(int atomIndex, int pdbResNum, String
693 * chain, String pdbId) { jmb.highlightAtom(atomIndex, pdbResNum, chain,
698 * @Override public void mouseOverStructure(int atomIndex, String strInfo) {
699 * jmb.mouseOverStructure(atomIndex, strInfo);
703 public void setJalviewColourScheme(UserColourScheme ucs)
705 setColourScheme(ucs);
708 public AlignmentPanel getAlignmentPanelFor(AlignmentI alignment)
710 for (int i = 0; i < _aps.size(); i++)
712 if (_aps.get(i).av.getAlignment() == alignment)
714 return (_aps.get(i));
721 * Append the given text to the history object
725 public void addToHistory(String text)
727 // actually currently never initialised
730 history.append("\n" + text);