JAL-1919 code improvement to make PDB sequence fetcher file format configurable....
[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.OOMWarning;
28 import jalview.gui.UserDefinedColours;
29 import jalview.io.JalviewFileChooser;
30 import jalview.io.JalviewFileView;
31 import jalview.schemes.BuriedColourScheme;
32 import jalview.schemes.HelixColourScheme;
33 import jalview.schemes.HydrophobicColourScheme;
34 import jalview.schemes.StrandColourScheme;
35 import jalview.schemes.TaylorColourScheme;
36 import jalview.schemes.TurnColourScheme;
37 import jalview.schemes.UserColourScheme;
38 import jalview.schemes.ZappoColourScheme;
39 import jalview.util.MessageManager;
40 import jalview.ws.ebi.EBIFetchClient;
41
42 import java.awt.event.ActionEvent;
43 import java.awt.event.ActionListener;
44 import java.awt.event.ItemEvent;
45 import java.awt.event.ItemListener;
46 import java.awt.event.KeyAdapter;
47 import java.awt.event.KeyEvent;
48 import java.awt.event.MouseAdapter;
49 import java.awt.event.MouseEvent;
50 import java.io.BufferedReader;
51 import java.io.File;
52 import java.io.FileOutputStream;
53 import java.io.FileReader;
54 import java.io.PrintWriter;
55
56 import javax.swing.ButtonGroup;
57 import javax.swing.JCheckBoxMenuItem;
58 import javax.swing.JColorChooser;
59 import javax.swing.JInternalFrame;
60 import javax.swing.JMenu;
61 import javax.swing.JMenuBar;
62 import javax.swing.JMenuItem;
63 import javax.swing.JOptionPane;
64 import javax.swing.JRadioButtonMenuItem;
65 import javax.swing.SwingUtilities;
66
67 public class PDBViewer extends JInternalFrame implements Runnable
68 {
69
70   /**
71    * The associated sequence in an alignment
72    */
73   PDBCanvas pdbcanvas;
74
75   PDBEntry pdbentry;
76
77   SequenceI[] seq;
78
79   String[] chains;
80
81   AlignmentPanel ap;
82
83   String protocol;
84
85   String tmpPDBFile;
86
87   public PDBViewer(PDBEntry pdbentry, SequenceI[] seq, String[] chains,
88           AlignmentPanel ap, String protocol)
89   {
90     this.pdbentry = pdbentry;
91     this.seq = seq;
92     this.chains = chains;
93     this.ap = ap;
94     this.protocol = protocol;
95
96     try
97     {
98       jbInit();
99     } catch (Exception ex)
100     {
101       ex.printStackTrace();
102     }
103
104     StringBuffer title = new StringBuffer(seq[0].getName() + ":"
105             + pdbentry.getFile());
106
107     pdbcanvas = new PDBCanvas();
108
109     setContentPane(pdbcanvas);
110
111     if (pdbentry.getFile() != null)
112     {
113       try
114       {
115         tmpPDBFile = pdbentry.getFile();
116         PDBfile pdbfile = new PDBfile(false, false, false, tmpPDBFile,
117                 jalview.io.AppletFormatAdapter.FILE);
118
119         pdbcanvas.init(pdbentry, seq, chains, ap, protocol);
120
121       } catch (java.io.IOException ex)
122       {
123         ex.printStackTrace();
124       }
125     }
126     else
127     {
128       Thread worker = new Thread(this);
129       worker.start();
130     }
131
132     if (pdbentry.getProperty() != null)
133     {
134       if (pdbentry.getProperty().get("method") != null)
135       {
136         title.append(" Method: ");
137         title.append(pdbentry.getProperty().get("method"));
138       }
139       if (pdbentry.getProperty().get("chains") != null)
140       {
141         title.append(" Chain:");
142         title.append(pdbentry.getProperty().get("chains"));
143       }
144     }
145     Desktop.addInternalFrame(this, title.toString(), 400, 400);
146   }
147
148   @Override
149   public void run()
150   {
151     try
152     {
153       EBIFetchClient ebi = new EBIFetchClient();
154       String query = "pdb:" + pdbentry.getId();
155       pdbentry.setFile(ebi.fetchDataAsFile(query, "default", "raw", ".xml")
156               .getAbsolutePath());
157
158       if (pdbentry.getFile() != null)
159       {
160         pdbcanvas.init(pdbentry, seq, chains, ap, protocol);
161       }
162     } catch (Exception ex)
163     {
164       pdbcanvas.errorMessage = "Error retrieving file: " + pdbentry.getId();
165       ex.printStackTrace();
166     }
167   }
168
169   private void jbInit() throws Exception
170   {
171     this.addKeyListener(new KeyAdapter()
172     {
173       @Override
174       public void keyPressed(KeyEvent evt)
175       {
176         pdbcanvas.keyPressed(evt);
177       }
178     });
179
180     this.setJMenuBar(jMenuBar1);
181     fileMenu.setText(MessageManager.getString("action.file"));
182     coloursMenu.setText(MessageManager.getString("label.colours"));
183     saveMenu.setActionCommand(MessageManager.getString("action.save_image"));
184     saveMenu.setText(MessageManager.getString("action.save_as"));
185     png.setText("PNG");
186     png.addActionListener(new ActionListener()
187     {
188       @Override
189       public void actionPerformed(ActionEvent e)
190       {
191         png_actionPerformed(e);
192       }
193     });
194     eps.setText("EPS");
195     eps.addActionListener(new ActionListener()
196     {
197       @Override
198       public void actionPerformed(ActionEvent e)
199       {
200         eps_actionPerformed(e);
201       }
202     });
203     mapping.setText(MessageManager.getString("label.view_mapping"));
204     mapping.addActionListener(new ActionListener()
205     {
206       @Override
207       public void actionPerformed(ActionEvent e)
208       {
209         mapping_actionPerformed(e);
210       }
211     });
212     wire.setText(MessageManager.getString("label.wireframe"));
213     wire.addActionListener(new ActionListener()
214     {
215       @Override
216       public void actionPerformed(ActionEvent e)
217       {
218         wire_actionPerformed(e);
219       }
220     });
221     depth.setSelected(true);
222     depth.setText(MessageManager.getString("label.depthcue"));
223     depth.addActionListener(new ActionListener()
224     {
225       @Override
226       public void actionPerformed(ActionEvent e)
227       {
228         depth_actionPerformed(e);
229       }
230     });
231     zbuffer.setSelected(true);
232     zbuffer.setText(MessageManager.getString("label.z_buffering"));
233     zbuffer.addActionListener(new ActionListener()
234     {
235       @Override
236       public void actionPerformed(ActionEvent e)
237       {
238         zbuffer_actionPerformed(e);
239       }
240     });
241     charge.setText(MessageManager.getString("label.charge_cysteine"));
242     charge.addActionListener(new ActionListener()
243     {
244       @Override
245       public void actionPerformed(ActionEvent e)
246       {
247         charge_actionPerformed(e);
248       }
249     });
250     chain.setText(MessageManager.getString("action.by_chain"));
251     chain.addActionListener(new ActionListener()
252     {
253       @Override
254       public void actionPerformed(ActionEvent e)
255       {
256         chain_actionPerformed(e);
257       }
258     });
259     seqButton.setSelected(true);
260     seqButton.setText(MessageManager.getString("action.by_sequence"));
261     seqButton.addActionListener(new ActionListener()
262     {
263       @Override
264       public void actionPerformed(ActionEvent e)
265       {
266         seqButton_actionPerformed(e);
267       }
268     });
269     allchains.setSelected(true);
270     allchains.setText(MessageManager.getString("label.show_all_chains"));
271     allchains.addItemListener(new ItemListener()
272     {
273       @Override
274       public void itemStateChanged(ItemEvent e)
275       {
276         allchains_itemStateChanged(e);
277       }
278     });
279     zappo.setText(MessageManager.getString("label.zappo"));
280     zappo.addActionListener(new ActionListener()
281     {
282       @Override
283       public void actionPerformed(ActionEvent e)
284       {
285         zappo_actionPerformed(e);
286       }
287     });
288     taylor.setText(MessageManager.getString("label.taylor"));
289     taylor.addActionListener(new ActionListener()
290     {
291       @Override
292       public void actionPerformed(ActionEvent e)
293       {
294         taylor_actionPerformed(e);
295       }
296     });
297     hydro.setText(MessageManager.getString("label.hydrophobicity"));
298     hydro.addActionListener(new ActionListener()
299     {
300       @Override
301       public void actionPerformed(ActionEvent e)
302       {
303         hydro_actionPerformed(e);
304       }
305     });
306     helix.setText(MessageManager.getString("label.helix_propensity"));
307     helix.addActionListener(new ActionListener()
308     {
309       @Override
310       public void actionPerformed(ActionEvent e)
311       {
312         helix_actionPerformed(e);
313       }
314     });
315     strand.setText(MessageManager.getString("label.strand_propensity"));
316     strand.addActionListener(new ActionListener()
317     {
318       @Override
319       public void actionPerformed(ActionEvent e)
320       {
321         strand_actionPerformed(e);
322       }
323     });
324     turn.setText(MessageManager.getString("label.turn_propensity"));
325     turn.addActionListener(new ActionListener()
326     {
327       @Override
328       public void actionPerformed(ActionEvent e)
329       {
330         turn_actionPerformed(e);
331       }
332     });
333     buried.setText(MessageManager.getString("label.buried_index"));
334     buried.addActionListener(new ActionListener()
335     {
336       @Override
337       public void actionPerformed(ActionEvent e)
338       {
339         buried_actionPerformed(e);
340       }
341     });
342     user.setText(MessageManager.getString("action.user_defined"));
343     user.addActionListener(new ActionListener()
344     {
345       @Override
346       public void actionPerformed(ActionEvent e)
347       {
348         user_actionPerformed(e);
349       }
350     });
351     viewMenu.setText(MessageManager.getString("action.view"));
352     background
353             .setText(MessageManager.getString("action.background_colour"));
354     background.addActionListener(new ActionListener()
355     {
356       @Override
357       public void actionPerformed(ActionEvent e)
358       {
359         background_actionPerformed(e);
360       }
361     });
362     savePDB.setText(MessageManager.getString("label.pdb_file"));
363     savePDB.addActionListener(new ActionListener()
364     {
365       @Override
366       public void actionPerformed(ActionEvent e)
367       {
368         savePDB_actionPerformed(e);
369       }
370     });
371     jMenuBar1.add(fileMenu);
372     jMenuBar1.add(coloursMenu);
373     jMenuBar1.add(viewMenu);
374     fileMenu.add(saveMenu);
375     fileMenu.add(mapping);
376     saveMenu.add(savePDB);
377     saveMenu.add(png);
378     saveMenu.add(eps);
379     coloursMenu.add(seqButton);
380     coloursMenu.add(chain);
381     coloursMenu.add(charge);
382     coloursMenu.add(zappo);
383     coloursMenu.add(taylor);
384     coloursMenu.add(hydro);
385     coloursMenu.add(helix);
386     coloursMenu.add(strand);
387     coloursMenu.add(turn);
388     coloursMenu.add(buried);
389     coloursMenu.add(user);
390     coloursMenu.add(background);
391     ButtonGroup bg = new ButtonGroup();
392     bg.add(seqButton);
393     bg.add(chain);
394     bg.add(charge);
395     bg.add(zappo);
396     bg.add(taylor);
397     bg.add(hydro);
398     bg.add(helix);
399     bg.add(strand);
400     bg.add(turn);
401     bg.add(buried);
402     bg.add(user);
403
404     if (jalview.gui.UserDefinedColours.getUserColourSchemes() != null)
405     {
406       java.util.Enumeration userColours = jalview.gui.UserDefinedColours
407               .getUserColourSchemes().keys();
408
409       while (userColours.hasMoreElements())
410       {
411         final JRadioButtonMenuItem radioItem = new JRadioButtonMenuItem(
412                 userColours.nextElement().toString());
413         radioItem.setName("USER_DEFINED");
414         radioItem.addMouseListener(new MouseAdapter()
415         {
416           @Override
417           public void mousePressed(MouseEvent evt)
418           {
419             if (evt.isControlDown()
420                     || SwingUtilities.isRightMouseButton(evt))
421             {
422               radioItem.removeActionListener(radioItem.getActionListeners()[0]);
423
424               int option = JOptionPane.showInternalConfirmDialog(
425                       jalview.gui.Desktop.desktop,
426                       MessageManager
427                               .getString("label.remove_from_default_list"),
428                       MessageManager
429                               .getString("label.remove_user_defined_colour"),
430                       JOptionPane.YES_NO_OPTION);
431               if (option == JOptionPane.YES_OPTION)
432               {
433                 jalview.gui.UserDefinedColours
434                         .removeColourFromDefaults(radioItem.getText());
435                 coloursMenu.remove(radioItem);
436               }
437               else
438               {
439                 radioItem.addActionListener(new ActionListener()
440                 {
441                   @Override
442                   public void actionPerformed(ActionEvent evt)
443                   {
444                     user_actionPerformed(evt);
445                   }
446                 });
447               }
448             }
449           }
450         });
451         radioItem.addActionListener(new ActionListener()
452         {
453           @Override
454           public void actionPerformed(ActionEvent evt)
455           {
456             user_actionPerformed(evt);
457           }
458         });
459         coloursMenu.add(radioItem);
460         bg.add(radioItem);
461       }
462     }
463
464     viewMenu.add(wire);
465     viewMenu.add(depth);
466     viewMenu.add(zbuffer);
467     viewMenu.add(allchains);
468   }
469
470   JMenuBar jMenuBar1 = new JMenuBar();
471
472   JMenu fileMenu = new JMenu();
473
474   JMenu coloursMenu = new JMenu();
475
476   JMenu saveMenu = new JMenu();
477
478   JMenuItem png = new JMenuItem();
479
480   JMenuItem eps = new JMenuItem();
481
482   JMenuItem mapping = new JMenuItem();
483
484   JCheckBoxMenuItem wire = new JCheckBoxMenuItem();
485
486   JCheckBoxMenuItem depth = new JCheckBoxMenuItem();
487
488   JCheckBoxMenuItem zbuffer = new JCheckBoxMenuItem();
489
490   JCheckBoxMenuItem allchains = new JCheckBoxMenuItem();
491
492   JRadioButtonMenuItem charge = new JRadioButtonMenuItem();
493
494   JRadioButtonMenuItem chain = new JRadioButtonMenuItem();
495
496   JRadioButtonMenuItem seqButton = new JRadioButtonMenuItem();
497
498   JRadioButtonMenuItem hydro = new JRadioButtonMenuItem();
499
500   JRadioButtonMenuItem taylor = new JRadioButtonMenuItem();
501
502   JRadioButtonMenuItem zappo = new JRadioButtonMenuItem();
503
504   JRadioButtonMenuItem user = new JRadioButtonMenuItem();
505
506   JRadioButtonMenuItem buried = new JRadioButtonMenuItem();
507
508   JRadioButtonMenuItem turn = new JRadioButtonMenuItem();
509
510   JRadioButtonMenuItem strand = new JRadioButtonMenuItem();
511
512   JRadioButtonMenuItem helix = new JRadioButtonMenuItem();
513
514   JMenu viewMenu = new JMenu();
515
516   JMenuItem background = new JMenuItem();
517
518   JMenuItem savePDB = new JMenuItem();
519
520   /**
521    * DOCUMENT ME!
522    * 
523    * @param e
524    *          DOCUMENT ME!
525    */
526   public void eps_actionPerformed(ActionEvent e)
527   {
528     makePDBImage(jalview.util.ImageMaker.TYPE.EPS);
529   }
530
531   /**
532    * DOCUMENT ME!
533    * 
534    * @param e
535    *          DOCUMENT ME!
536    */
537   public void png_actionPerformed(ActionEvent e)
538   {
539     makePDBImage(jalview.util.ImageMaker.TYPE.PNG);
540   }
541
542   void makePDBImage(jalview.util.ImageMaker.TYPE type)
543   {
544     int width = pdbcanvas.getWidth();
545     int height = pdbcanvas.getHeight();
546
547     jalview.util.ImageMaker im;
548
549     if (type == jalview.util.ImageMaker.TYPE.PNG)
550     {
551       im = new jalview.util.ImageMaker(this,
552               jalview.util.ImageMaker.TYPE.PNG, "Make PNG image from view",
553               width, height, null, null, null, 0, false);
554     }
555     else if (type == jalview.util.ImageMaker.TYPE.EPS)
556     {
557       im = new jalview.util.ImageMaker(this,
558               jalview.util.ImageMaker.TYPE.EPS, "Make EPS file from view",
559               width, height, null, this.getTitle(), null, 0, false);
560     }
561     else
562     {
563
564       im = new jalview.util.ImageMaker(this,
565               jalview.util.ImageMaker.TYPE.SVG, "Make SVG file from PCA",
566               width, height, null, this.getTitle(), null, 0, false);
567     }
568
569     if (im.getGraphics() != null)
570     {
571       pdbcanvas.drawAll(im.getGraphics(), width, height);
572       im.writeImage();
573     }
574   }
575
576   public void charge_actionPerformed(ActionEvent e)
577   {
578     pdbcanvas.bysequence = false;
579     pdbcanvas.pdb.setChargeColours();
580     pdbcanvas.redrawneeded = true;
581     pdbcanvas.repaint();
582   }
583
584   public void hydro_actionPerformed(ActionEvent e)
585   {
586     pdbcanvas.bysequence = false;
587     pdbcanvas.pdb.setColours(new HydrophobicColourScheme());
588     pdbcanvas.redrawneeded = true;
589     pdbcanvas.repaint();
590   }
591
592   public void chain_actionPerformed(ActionEvent e)
593   {
594     pdbcanvas.bysequence = false;
595     pdbcanvas.pdb.setChainColours();
596     pdbcanvas.redrawneeded = true;
597     pdbcanvas.repaint();
598   }
599
600   public void zbuffer_actionPerformed(ActionEvent e)
601   {
602     pdbcanvas.zbuffer = !pdbcanvas.zbuffer;
603     pdbcanvas.redrawneeded = true;
604     pdbcanvas.repaint();
605   }
606
607   public void molecule_actionPerformed(ActionEvent e)
608   {
609     pdbcanvas.bymolecule = !pdbcanvas.bymolecule;
610     pdbcanvas.redrawneeded = true;
611     pdbcanvas.repaint();
612   }
613
614   public void depth_actionPerformed(ActionEvent e)
615   {
616     pdbcanvas.depthcue = !pdbcanvas.depthcue;
617     pdbcanvas.redrawneeded = true;
618     pdbcanvas.repaint();
619   }
620
621   public void wire_actionPerformed(ActionEvent e)
622   {
623     pdbcanvas.wire = !pdbcanvas.wire;
624     pdbcanvas.redrawneeded = true;
625     pdbcanvas.repaint();
626   }
627
628   public void seqButton_actionPerformed(ActionEvent e)
629   {
630     pdbcanvas.bysequence = true;
631     pdbcanvas.updateSeqColours();
632   }
633
634   public void mapping_actionPerformed(ActionEvent e)
635   {
636     jalview.gui.CutAndPasteTransfer cap = new jalview.gui.CutAndPasteTransfer();
637     try
638     {
639       cap.setText(pdbcanvas.mappingDetails.toString());
640       Desktop.addInternalFrame(cap,
641               MessageManager.getString("label.pdb_sequence_mapping"), 550,
642               600);
643     } catch (OutOfMemoryError oom)
644     {
645       new OOMWarning("Opening sequence to structure mapping report", oom);
646       cap.dispose();
647     }
648   }
649
650   public void allchains_itemStateChanged(ItemEvent e)
651   {
652     pdbcanvas.setAllchainsVisible(allchains.getState());
653   }
654
655   public void zappo_actionPerformed(ActionEvent e)
656   {
657     pdbcanvas.bysequence = false;
658     pdbcanvas.pdb.setColours(new ZappoColourScheme());
659     pdbcanvas.redrawneeded = true;
660     pdbcanvas.repaint();
661   }
662
663   public void taylor_actionPerformed(ActionEvent e)
664   {
665     pdbcanvas.bysequence = false;
666     pdbcanvas.pdb.setColours(new TaylorColourScheme());
667     pdbcanvas.redrawneeded = true;
668     pdbcanvas.repaint();
669   }
670
671   public void helix_actionPerformed(ActionEvent e)
672   {
673     pdbcanvas.bysequence = false;
674     pdbcanvas.pdb.setColours(new HelixColourScheme());
675     pdbcanvas.redrawneeded = true;
676     pdbcanvas.repaint();
677   }
678
679   public void strand_actionPerformed(ActionEvent e)
680   {
681     pdbcanvas.bysequence = false;
682     pdbcanvas.pdb.setColours(new StrandColourScheme());
683     pdbcanvas.redrawneeded = true;
684     pdbcanvas.repaint();
685   }
686
687   public void turn_actionPerformed(ActionEvent e)
688   {
689     pdbcanvas.bysequence = false;
690     pdbcanvas.pdb.setColours(new TurnColourScheme());
691     pdbcanvas.redrawneeded = true;
692     pdbcanvas.repaint();
693   }
694
695   public void buried_actionPerformed(ActionEvent e)
696   {
697     pdbcanvas.bysequence = false;
698     pdbcanvas.pdb.setColours(new BuriedColourScheme());
699     pdbcanvas.redrawneeded = true;
700     pdbcanvas.repaint();
701   }
702
703   public void user_actionPerformed(ActionEvent e)
704   {
705     if (e.getActionCommand().equals(
706             MessageManager.getString("action.user_defined")))
707     {
708       // new UserDefinedColours(pdbcanvas, null);
709     }
710     else
711     {
712       UserColourScheme udc = (UserColourScheme) UserDefinedColours
713               .getUserColourSchemes().get(e.getActionCommand());
714
715       pdbcanvas.pdb.setColours(udc);
716       pdbcanvas.redrawneeded = true;
717       pdbcanvas.repaint();
718     }
719   }
720
721   public void background_actionPerformed(ActionEvent e)
722   {
723     java.awt.Color col = JColorChooser.showDialog(this,
724             MessageManager.getString("label.select_backgroud_colour"),
725             pdbcanvas.backgroundColour);
726
727     if (col != null)
728     {
729       pdbcanvas.backgroundColour = col;
730       pdbcanvas.redrawneeded = true;
731       pdbcanvas.repaint();
732     }
733   }
734
735   public void savePDB_actionPerformed(ActionEvent e)
736   {
737     JalviewFileChooser chooser = new JalviewFileChooser(
738             jalview.bin.Cache.getProperty("LAST_DIRECTORY"));
739
740     chooser.setFileView(new JalviewFileView());
741     chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file"));
742     chooser.setToolTipText(MessageManager.getString("action.save"));
743
744     int value = chooser.showSaveDialog(this);
745
746     if (value == JalviewFileChooser.APPROVE_OPTION)
747     {
748       try
749       {
750         BufferedReader in = new BufferedReader(new FileReader(tmpPDBFile));
751         File outFile = chooser.getSelectedFile();
752
753         PrintWriter out = new PrintWriter(new FileOutputStream(outFile));
754         String data;
755         while ((data = in.readLine()) != null)
756         {
757           if (!(data.indexOf("<PRE>") > -1 || data.indexOf("</PRE>") > -1))
758           {
759             out.println(data);
760           }
761         }
762         out.close();
763         in.close();
764       } catch (Exception ex)
765       {
766         ex.printStackTrace();
767       }
768     }
769   }
770 }