1c7a6ee77166c1f07f83dc09a1ee75b27cd7e239
[jalview.git] / src / MCview / PDBViewer.java
1 /*
2  * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3  * Copyright (C) $$Year-Rel$$ The Jalview Authors
4  * 
5  * This file is part of Jalview.
6  * 
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.
11  *  
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.
16  * 
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.
20  */
21 package MCview;
22
23 import jalview.datamodel.PDBEntry;
24 import jalview.datamodel.SequenceI;
25 import jalview.gui.AlignmentPanel;
26 import jalview.gui.Desktop;
27 import jalview.gui.JvOptionPane;
28 import jalview.gui.OOMWarning;
29 import jalview.gui.UserDefinedColours;
30 import jalview.io.DataSourceType;
31 import jalview.io.JalviewFileChooser;
32 import jalview.io.JalviewFileView;
33 import jalview.schemes.BuriedColourScheme;
34 import jalview.schemes.HelixColourScheme;
35 import jalview.schemes.HydrophobicColourScheme;
36 import jalview.schemes.StrandColourScheme;
37 import jalview.schemes.TaylorColourScheme;
38 import jalview.schemes.TurnColourScheme;
39 import jalview.schemes.UserColourScheme;
40 import jalview.schemes.ZappoColourScheme;
41 import jalview.util.MessageManager;
42 import jalview.ws.ebi.EBIFetchClient;
43
44 import java.awt.Color;
45 import java.awt.event.ActionEvent;
46 import java.awt.event.ActionListener;
47 import java.awt.event.ItemEvent;
48 import java.awt.event.ItemListener;
49 import java.awt.event.KeyAdapter;
50 import java.awt.event.KeyEvent;
51 import java.awt.event.MouseAdapter;
52 import java.awt.event.MouseEvent;
53 import java.io.BufferedReader;
54 import java.io.File;
55 import java.io.FileOutputStream;
56 import java.io.FileReader;
57 import java.io.PrintWriter;
58 import java.util.Map;
59
60 import javax.swing.ButtonGroup;
61 import javax.swing.JCheckBoxMenuItem;
62 import javax.swing.JColorChooser;
63 import javax.swing.JInternalFrame;
64 import javax.swing.JMenu;
65 import javax.swing.JMenuBar;
66 import javax.swing.JMenuItem;
67 import javax.swing.JRadioButtonMenuItem;
68
69 public class PDBViewer extends JInternalFrame implements Runnable
70 {
71
72   /**
73    * The associated sequence in an alignment
74    */
75   PDBCanvas pdbcanvas;
76
77   PDBEntry pdbentry;
78
79   SequenceI[] seq;
80
81   String[] chains;
82
83   AlignmentPanel ap;
84
85   DataSourceType protocol;
86
87   String tmpPDBFile;
88
89   public PDBViewer(PDBEntry pdbentry, SequenceI[] seq, String[] chains,
90           AlignmentPanel ap, DataSourceType protocol)
91   {
92     this.pdbentry = pdbentry;
93     this.seq = seq;
94     this.chains = chains;
95     this.ap = ap;
96     this.protocol = protocol;
97
98     try
99     {
100       jbInit();
101     } catch (Exception ex)
102     {
103       ex.printStackTrace();
104     }
105
106     StringBuffer title = new StringBuffer(seq[0].getName() + ":"
107             + pdbentry.getFile());
108
109     pdbcanvas = new PDBCanvas();
110
111     setContentPane(pdbcanvas);
112
113     if (pdbentry.getFile() != null)
114     {
115       try
116       {
117         tmpPDBFile = pdbentry.getFile();
118         PDBfile pdbfile = new PDBfile(false, false, false, tmpPDBFile,
119                 DataSourceType.FILE);
120
121         pdbcanvas.init(pdbentry, seq, chains, ap, protocol);
122
123       } catch (java.io.IOException ex)
124       {
125         ex.printStackTrace();
126       }
127     }
128     else
129     {
130       Thread worker = new Thread(this);
131       worker.start();
132     }
133
134     String method = (String) pdbentry.getProperty("method");
135     if (method != null)
136     {
137       title.append(" Method: ");
138       title.append(method);
139     }
140     String ch = (String) pdbentry.getProperty("chains");
141     if (ch != null)
142     {
143       title.append(" Chain:");
144       title.append(ch);
145     }
146     Desktop.addInternalFrame(this, title.toString(), 400, 400);
147   }
148
149   @Override
150   public void run()
151   {
152     try
153     {
154       EBIFetchClient ebi = new EBIFetchClient();
155       String query = "pdb:" + pdbentry.getId();
156       pdbentry.setFile(ebi.fetchDataAsFile(query, "default", "xml")
157               .getAbsolutePath());
158
159       if (pdbentry.getFile() != null)
160       {
161         pdbcanvas.init(pdbentry, seq, chains, ap, protocol);
162       }
163     } catch (Exception ex)
164     {
165       pdbcanvas.errorMessage = "Error retrieving file: " + pdbentry.getId();
166       ex.printStackTrace();
167     }
168   }
169
170   private void jbInit() throws Exception
171   {
172     this.addKeyListener(new KeyAdapter()
173     {
174       @Override
175       public void keyPressed(KeyEvent evt)
176       {
177         pdbcanvas.keyPressed(evt);
178       }
179     });
180
181     this.setJMenuBar(jMenuBar1);
182     fileMenu.setText(MessageManager.getString("action.file"));
183     coloursMenu.setText(MessageManager.getString("label.colours"));
184     saveMenu.setActionCommand(MessageManager.getString("action.save_image"));
185     saveMenu.setText(MessageManager.getString("action.save_as"));
186     png.setText("PNG");
187     png.addActionListener(new ActionListener()
188     {
189       @Override
190       public void actionPerformed(ActionEvent e)
191       {
192         png_actionPerformed(e);
193       }
194     });
195     eps.setText("EPS");
196     eps.addActionListener(new ActionListener()
197     {
198       @Override
199       public void actionPerformed(ActionEvent e)
200       {
201         eps_actionPerformed(e);
202       }
203     });
204     mapping.setText(MessageManager.getString("label.view_mapping"));
205     mapping.addActionListener(new ActionListener()
206     {
207       @Override
208       public void actionPerformed(ActionEvent e)
209       {
210         mapping_actionPerformed(e);
211       }
212     });
213     wire.setText(MessageManager.getString("label.wireframe"));
214     wire.addActionListener(new ActionListener()
215     {
216       @Override
217       public void actionPerformed(ActionEvent e)
218       {
219         wire_actionPerformed(e);
220       }
221     });
222     depth.setSelected(true);
223     depth.setText(MessageManager.getString("label.depthcue"));
224     depth.addActionListener(new ActionListener()
225     {
226       @Override
227       public void actionPerformed(ActionEvent e)
228       {
229         depth_actionPerformed(e);
230       }
231     });
232     zbuffer.setSelected(true);
233     zbuffer.setText(MessageManager.getString("label.z_buffering"));
234     zbuffer.addActionListener(new ActionListener()
235     {
236       @Override
237       public void actionPerformed(ActionEvent e)
238       {
239         zbuffer_actionPerformed(e);
240       }
241     });
242     charge.setText(MessageManager.getString("label.charge_cysteine"));
243     charge.addActionListener(new ActionListener()
244     {
245       @Override
246       public void actionPerformed(ActionEvent e)
247       {
248         charge_actionPerformed(e);
249       }
250     });
251     chain.setText(MessageManager.getString("action.by_chain"));
252     chain.addActionListener(new ActionListener()
253     {
254       @Override
255       public void actionPerformed(ActionEvent e)
256       {
257         chain_actionPerformed(e);
258       }
259     });
260     seqButton.setSelected(true);
261     seqButton.setText(MessageManager.getString("action.by_sequence"));
262     seqButton.addActionListener(new ActionListener()
263     {
264       @Override
265       public void actionPerformed(ActionEvent e)
266       {
267         seqButton_actionPerformed(e);
268       }
269     });
270     allchains.setSelected(true);
271     allchains.setText(MessageManager.getString("label.show_all_chains"));
272     allchains.addItemListener(new ItemListener()
273     {
274       @Override
275       public void itemStateChanged(ItemEvent e)
276       {
277         allchains_itemStateChanged(e);
278       }
279     });
280     zappo.setText(MessageManager.getString("label.zappo"));
281     zappo.addActionListener(new ActionListener()
282     {
283       @Override
284       public void actionPerformed(ActionEvent e)
285       {
286         zappo_actionPerformed(e);
287       }
288     });
289     taylor.setText(MessageManager.getString("label.taylor"));
290     taylor.addActionListener(new ActionListener()
291     {
292       @Override
293       public void actionPerformed(ActionEvent e)
294       {
295         taylor_actionPerformed(e);
296       }
297     });
298     hydro.setText(MessageManager.getString("label.hydrophobicity"));
299     hydro.addActionListener(new ActionListener()
300     {
301       @Override
302       public void actionPerformed(ActionEvent e)
303       {
304         hydro_actionPerformed(e);
305       }
306     });
307     helix.setText(MessageManager.getString("label.helix_propensity"));
308     helix.addActionListener(new ActionListener()
309     {
310       @Override
311       public void actionPerformed(ActionEvent e)
312       {
313         helix_actionPerformed(e);
314       }
315     });
316     strand.setText(MessageManager.getString("label.strand_propensity"));
317     strand.addActionListener(new ActionListener()
318     {
319       @Override
320       public void actionPerformed(ActionEvent e)
321       {
322         strand_actionPerformed(e);
323       }
324     });
325     turn.setText(MessageManager.getString("label.turn_propensity"));
326     turn.addActionListener(new ActionListener()
327     {
328       @Override
329       public void actionPerformed(ActionEvent e)
330       {
331         turn_actionPerformed(e);
332       }
333     });
334     buried.setText(MessageManager.getString("label.buried_index"));
335     buried.addActionListener(new ActionListener()
336     {
337       @Override
338       public void actionPerformed(ActionEvent e)
339       {
340         buried_actionPerformed(e);
341       }
342     });
343     user.setText(MessageManager.getString("action.user_defined"));
344     user.addActionListener(new ActionListener()
345     {
346       @Override
347       public void actionPerformed(ActionEvent e)
348       {
349         user_actionPerformed(e);
350       }
351     });
352     viewMenu.setText(MessageManager.getString("action.view"));
353     background
354             .setText(MessageManager.getString("action.background_colour"));
355     background.addActionListener(new ActionListener()
356     {
357       @Override
358       public void actionPerformed(ActionEvent e)
359       {
360         background_actionPerformed(e);
361       }
362     });
363     savePDB.setText(MessageManager.getString("label.pdb_file"));
364     savePDB.addActionListener(new ActionListener()
365     {
366       @Override
367       public void actionPerformed(ActionEvent e)
368       {
369         savePDB_actionPerformed(e);
370       }
371     });
372     jMenuBar1.add(fileMenu);
373     jMenuBar1.add(coloursMenu);
374     jMenuBar1.add(viewMenu);
375     fileMenu.add(saveMenu);
376     fileMenu.add(mapping);
377     saveMenu.add(savePDB);
378     saveMenu.add(png);
379     saveMenu.add(eps);
380     coloursMenu.add(seqButton);
381     coloursMenu.add(chain);
382     coloursMenu.add(charge);
383     coloursMenu.add(zappo);
384     coloursMenu.add(taylor);
385     coloursMenu.add(hydro);
386     coloursMenu.add(helix);
387     coloursMenu.add(strand);
388     coloursMenu.add(turn);
389     coloursMenu.add(buried);
390     coloursMenu.add(user);
391     coloursMenu.add(background);
392     ButtonGroup bg = new ButtonGroup();
393     bg.add(seqButton);
394     bg.add(chain);
395     bg.add(charge);
396     bg.add(zappo);
397     bg.add(taylor);
398     bg.add(hydro);
399     bg.add(helix);
400     bg.add(strand);
401     bg.add(turn);
402     bg.add(buried);
403     bg.add(user);
404
405     Map<String, UserColourScheme> userColourSchemes = UserDefinedColours
406             .getUserColourSchemes();
407     if (userColourSchemes != null)
408     {
409       for (String userColour : userColourSchemes.keySet())
410       {
411         final JRadioButtonMenuItem radioItem = new JRadioButtonMenuItem(
412                 userColour);
413         radioItem.setName("USER_DEFINED");
414         radioItem.addMouseListener(new MouseAdapter()
415         {
416           @Override
417           public void mousePressed(MouseEvent evt)
418           {
419             if (evt.isPopupTrigger()) // Mac
420             {
421               offerRemoval(radioItem);
422             }
423           }
424
425           @Override
426           public void mouseReleased(MouseEvent evt)
427           {
428             if (evt.isPopupTrigger()) // Windows
429             {
430               offerRemoval(radioItem);
431             }
432           }
433
434           /**
435            * @param radioItem
436            */
437           void offerRemoval(final JRadioButtonMenuItem radioItem)
438           {
439             radioItem.removeActionListener(radioItem.getActionListeners()[0]);
440
441             int option = JvOptionPane.showInternalConfirmDialog(
442                     jalview.gui.Desktop.desktop, MessageManager
443                             .getString("label.remove_from_default_list"),
444                     MessageManager
445                             .getString("label.remove_user_defined_colour"),
446                     JvOptionPane.YES_NO_OPTION);
447             if (option == JvOptionPane.YES_OPTION)
448             {
449               jalview.gui.UserDefinedColours
450                       .removeColourFromDefaults(radioItem.getText());
451               coloursMenu.remove(radioItem);
452             }
453             else
454             {
455               radioItem.addActionListener(new ActionListener()
456               {
457                 @Override
458                 public void actionPerformed(ActionEvent evt)
459                 {
460                   user_actionPerformed(evt);
461                 }
462               });
463             }
464           }
465         });
466         radioItem.addActionListener(new ActionListener()
467         {
468           @Override
469           public void actionPerformed(ActionEvent evt)
470           {
471             user_actionPerformed(evt);
472           }
473         });
474         coloursMenu.add(radioItem);
475         bg.add(radioItem);
476       }
477     }
478
479     viewMenu.add(wire);
480     viewMenu.add(depth);
481     viewMenu.add(zbuffer);
482     viewMenu.add(allchains);
483   }
484
485   JMenuBar jMenuBar1 = new JMenuBar();
486
487   JMenu fileMenu = new JMenu();
488
489   JMenu coloursMenu = new JMenu();
490
491   JMenu saveMenu = new JMenu();
492
493   JMenuItem png = new JMenuItem();
494
495   JMenuItem eps = new JMenuItem();
496
497   JMenuItem mapping = new JMenuItem();
498
499   JCheckBoxMenuItem wire = new JCheckBoxMenuItem();
500
501   JCheckBoxMenuItem depth = new JCheckBoxMenuItem();
502
503   JCheckBoxMenuItem zbuffer = new JCheckBoxMenuItem();
504
505   JCheckBoxMenuItem allchains = new JCheckBoxMenuItem();
506
507   JRadioButtonMenuItem charge = new JRadioButtonMenuItem();
508
509   JRadioButtonMenuItem chain = new JRadioButtonMenuItem();
510
511   JRadioButtonMenuItem seqButton = new JRadioButtonMenuItem();
512
513   JRadioButtonMenuItem hydro = new JRadioButtonMenuItem();
514
515   JRadioButtonMenuItem taylor = new JRadioButtonMenuItem();
516
517   JRadioButtonMenuItem zappo = new JRadioButtonMenuItem();
518
519   JRadioButtonMenuItem user = new JRadioButtonMenuItem();
520
521   JRadioButtonMenuItem buried = new JRadioButtonMenuItem();
522
523   JRadioButtonMenuItem turn = new JRadioButtonMenuItem();
524
525   JRadioButtonMenuItem strand = new JRadioButtonMenuItem();
526
527   JRadioButtonMenuItem helix = new JRadioButtonMenuItem();
528
529   JMenu viewMenu = new JMenu();
530
531   JMenuItem background = new JMenuItem();
532
533   JMenuItem savePDB = new JMenuItem();
534
535   /**
536    * DOCUMENT ME!
537    * 
538    * @param e
539    *          DOCUMENT ME!
540    */
541   public void eps_actionPerformed(ActionEvent e)
542   {
543     makePDBImage(jalview.util.ImageMaker.TYPE.EPS);
544   }
545
546   /**
547    * DOCUMENT ME!
548    * 
549    * @param e
550    *          DOCUMENT ME!
551    */
552   public void png_actionPerformed(ActionEvent e)
553   {
554     makePDBImage(jalview.util.ImageMaker.TYPE.PNG);
555   }
556
557   void makePDBImage(jalview.util.ImageMaker.TYPE type)
558   {
559     int width = pdbcanvas.getWidth();
560     int height = pdbcanvas.getHeight();
561
562     jalview.util.ImageMaker im;
563
564     if (type == jalview.util.ImageMaker.TYPE.PNG)
565     {
566       im = new jalview.util.ImageMaker(this,
567               jalview.util.ImageMaker.TYPE.PNG, "Make PNG image from view",
568               width, height, null, null, null, 0, false);
569     }
570     else if (type == jalview.util.ImageMaker.TYPE.EPS)
571     {
572       im = new jalview.util.ImageMaker(this,
573               jalview.util.ImageMaker.TYPE.EPS, "Make EPS file from view",
574               width, height, null, this.getTitle(), null, 0, false);
575     }
576     else
577     {
578
579       im = new jalview.util.ImageMaker(this,
580               jalview.util.ImageMaker.TYPE.SVG, "Make SVG file from PCA",
581               width, height, null, this.getTitle(), null, 0, false);
582     }
583
584     if (im.getGraphics() != null)
585     {
586       pdbcanvas.drawAll(im.getGraphics(), width, height);
587       im.writeImage();
588     }
589   }
590
591   public void charge_actionPerformed(ActionEvent e)
592   {
593     pdbcanvas.bysequence = false;
594     pdbcanvas.pdb.setChargeColours();
595     pdbcanvas.redrawneeded = true;
596     pdbcanvas.repaint();
597   }
598
599   public void hydro_actionPerformed(ActionEvent e)
600   {
601     pdbcanvas.bysequence = false;
602     pdbcanvas.pdb.setColours(new HydrophobicColourScheme());
603     pdbcanvas.redrawneeded = true;
604     pdbcanvas.repaint();
605   }
606
607   public void chain_actionPerformed(ActionEvent e)
608   {
609     pdbcanvas.bysequence = false;
610     pdbcanvas.pdb.setChainColours();
611     pdbcanvas.redrawneeded = true;
612     pdbcanvas.repaint();
613   }
614
615   public void zbuffer_actionPerformed(ActionEvent e)
616   {
617     pdbcanvas.zbuffer = !pdbcanvas.zbuffer;
618     pdbcanvas.redrawneeded = true;
619     pdbcanvas.repaint();
620   }
621
622   public void molecule_actionPerformed(ActionEvent e)
623   {
624     pdbcanvas.bymolecule = !pdbcanvas.bymolecule;
625     pdbcanvas.redrawneeded = true;
626     pdbcanvas.repaint();
627   }
628
629   public void depth_actionPerformed(ActionEvent e)
630   {
631     pdbcanvas.depthcue = !pdbcanvas.depthcue;
632     pdbcanvas.redrawneeded = true;
633     pdbcanvas.repaint();
634   }
635
636   public void wire_actionPerformed(ActionEvent e)
637   {
638     pdbcanvas.wire = !pdbcanvas.wire;
639     pdbcanvas.redrawneeded = true;
640     pdbcanvas.repaint();
641   }
642
643   public void seqButton_actionPerformed(ActionEvent e)
644   {
645     pdbcanvas.bysequence = true;
646     pdbcanvas.updateSeqColours();
647   }
648
649   public void mapping_actionPerformed(ActionEvent e)
650   {
651     jalview.gui.CutAndPasteTransfer cap = new jalview.gui.CutAndPasteTransfer();
652     try
653     {
654       cap.setText(pdbcanvas.mappingDetails.toString());
655       Desktop.addInternalFrame(cap,
656               MessageManager.getString("label.pdb_sequence_mapping"), 550,
657               600);
658     } catch (OutOfMemoryError oom)
659     {
660       new OOMWarning("Opening sequence to structure mapping report", oom);
661       cap.dispose();
662     }
663   }
664
665   public void allchains_itemStateChanged(ItemEvent e)
666   {
667     pdbcanvas.setAllchainsVisible(allchains.getState());
668   }
669
670   public void zappo_actionPerformed(ActionEvent e)
671   {
672     pdbcanvas.bysequence = false;
673     pdbcanvas.pdb.setColours(new ZappoColourScheme());
674     pdbcanvas.redrawneeded = true;
675     pdbcanvas.repaint();
676   }
677
678   public void taylor_actionPerformed(ActionEvent e)
679   {
680     pdbcanvas.bysequence = false;
681     pdbcanvas.pdb.setColours(new TaylorColourScheme());
682     pdbcanvas.redrawneeded = true;
683     pdbcanvas.repaint();
684   }
685
686   public void helix_actionPerformed(ActionEvent e)
687   {
688     pdbcanvas.bysequence = false;
689     pdbcanvas.pdb.setColours(new HelixColourScheme());
690     pdbcanvas.redrawneeded = true;
691     pdbcanvas.repaint();
692   }
693
694   public void strand_actionPerformed(ActionEvent e)
695   {
696     pdbcanvas.bysequence = false;
697     pdbcanvas.pdb.setColours(new StrandColourScheme());
698     pdbcanvas.redrawneeded = true;
699     pdbcanvas.repaint();
700   }
701
702   public void turn_actionPerformed(ActionEvent e)
703   {
704     pdbcanvas.bysequence = false;
705     pdbcanvas.pdb.setColours(new TurnColourScheme());
706     pdbcanvas.redrawneeded = true;
707     pdbcanvas.repaint();
708   }
709
710   public void buried_actionPerformed(ActionEvent e)
711   {
712     pdbcanvas.bysequence = false;
713     pdbcanvas.pdb.setColours(new BuriedColourScheme());
714     pdbcanvas.redrawneeded = true;
715     pdbcanvas.repaint();
716   }
717
718   public void user_actionPerformed(ActionEvent e)
719   {
720     if (e.getActionCommand().equals(
721             MessageManager.getString("action.user_defined")))
722     {
723       // new UserDefinedColours(pdbcanvas, null);
724     }
725     else
726     {
727       UserColourScheme udc = UserDefinedColours
728               .getUserColourSchemes().get(e.getActionCommand());
729
730       pdbcanvas.pdb.setColours(udc);
731       pdbcanvas.redrawneeded = true;
732       pdbcanvas.repaint();
733     }
734   }
735
736   public void background_actionPerformed(ActionEvent e)
737   {
738     Color col = JColorChooser.showDialog(this,
739             MessageManager.getString("label.select_background_colour"),
740             pdbcanvas.backgroundColour);
741
742     if (col != null)
743     {
744       pdbcanvas.backgroundColour = col;
745       pdbcanvas.redrawneeded = true;
746       pdbcanvas.repaint();
747     }
748   }
749
750   public void savePDB_actionPerformed(ActionEvent e)
751   {
752     JalviewFileChooser chooser = new JalviewFileChooser(
753             jalview.bin.Cache.getProperty("LAST_DIRECTORY"));
754
755     chooser.setFileView(new JalviewFileView());
756     chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file"));
757     chooser.setToolTipText(MessageManager.getString("action.save"));
758
759     int value = chooser.showSaveDialog(this);
760
761     if (value == JalviewFileChooser.APPROVE_OPTION)
762     {
763       try
764       {
765         BufferedReader in = new BufferedReader(new FileReader(tmpPDBFile));
766         File outFile = chooser.getSelectedFile();
767
768         PrintWriter out = new PrintWriter(new FileOutputStream(outFile));
769         String data;
770         while ((data = in.readLine()) != null)
771         {
772           if (!(data.indexOf("<PRE>") > -1 || data.indexOf("</PRE>") > -1))
773           {
774             out.println(data);
775           }
776         }
777         out.close();
778         in.close();
779       } catch (Exception ex)
780       {
781         ex.printStackTrace();
782       }
783     }
784   }
785 }