cbe23323cef745a309fb16dc190e15325970aa86
[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.DataSourceType;
30 import jalview.io.JalviewFileChooser;
31 import jalview.io.JalviewFileView;
32 import jalview.schemes.BuriedColourScheme;
33 import jalview.schemes.HelixColourScheme;
34 import jalview.schemes.HydrophobicColourScheme;
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.util.MessageManager;
41 import jalview.ws.ebi.EBIFetchClient;
42
43 import java.awt.event.ActionEvent;
44 import java.awt.event.ActionListener;
45 import java.awt.event.ItemEvent;
46 import java.awt.event.ItemListener;
47 import java.awt.event.KeyAdapter;
48 import java.awt.event.KeyEvent;
49 import java.awt.event.MouseAdapter;
50 import java.awt.event.MouseEvent;
51 import java.io.BufferedReader;
52 import java.io.File;
53 import java.io.FileOutputStream;
54 import java.io.FileReader;
55 import java.io.PrintWriter;
56
57 import javax.swing.ButtonGroup;
58 import javax.swing.JCheckBoxMenuItem;
59 import javax.swing.JColorChooser;
60 import javax.swing.JInternalFrame;
61 import javax.swing.JMenu;
62 import javax.swing.JMenuBar;
63 import javax.swing.JMenuItem;
64 import javax.swing.JOptionPane;
65 import javax.swing.JRadioButtonMenuItem;
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                 DataSourceType.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", ".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.isPopupTrigger())
420             {
421               radioItem.removeActionListener(radioItem.getActionListeners()[0]);
422
423               int option = JOptionPane.showInternalConfirmDialog(
424                       jalview.gui.Desktop.desktop,
425                       MessageManager
426                               .getString("label.remove_from_default_list"),
427                       MessageManager
428                               .getString("label.remove_user_defined_colour"),
429                       JOptionPane.YES_NO_OPTION);
430               if (option == JOptionPane.YES_OPTION)
431               {
432                 jalview.gui.UserDefinedColours
433                         .removeColourFromDefaults(radioItem.getText());
434                 coloursMenu.remove(radioItem);
435               }
436               else
437               {
438                 radioItem.addActionListener(new ActionListener()
439                 {
440                   @Override
441                   public void actionPerformed(ActionEvent evt)
442                   {
443                     user_actionPerformed(evt);
444                   }
445                 });
446               }
447             }
448           }
449         });
450         radioItem.addActionListener(new ActionListener()
451         {
452           @Override
453           public void actionPerformed(ActionEvent evt)
454           {
455             user_actionPerformed(evt);
456           }
457         });
458         coloursMenu.add(radioItem);
459         bg.add(radioItem);
460       }
461     }
462
463     viewMenu.add(wire);
464     viewMenu.add(depth);
465     viewMenu.add(zbuffer);
466     viewMenu.add(allchains);
467   }
468
469   JMenuBar jMenuBar1 = new JMenuBar();
470
471   JMenu fileMenu = new JMenu();
472
473   JMenu coloursMenu = new JMenu();
474
475   JMenu saveMenu = new JMenu();
476
477   JMenuItem png = new JMenuItem();
478
479   JMenuItem eps = new JMenuItem();
480
481   JMenuItem mapping = new JMenuItem();
482
483   JCheckBoxMenuItem wire = new JCheckBoxMenuItem();
484
485   JCheckBoxMenuItem depth = new JCheckBoxMenuItem();
486
487   JCheckBoxMenuItem zbuffer = new JCheckBoxMenuItem();
488
489   JCheckBoxMenuItem allchains = new JCheckBoxMenuItem();
490
491   JRadioButtonMenuItem charge = new JRadioButtonMenuItem();
492
493   JRadioButtonMenuItem chain = new JRadioButtonMenuItem();
494
495   JRadioButtonMenuItem seqButton = new JRadioButtonMenuItem();
496
497   JRadioButtonMenuItem hydro = new JRadioButtonMenuItem();
498
499   JRadioButtonMenuItem taylor = new JRadioButtonMenuItem();
500
501   JRadioButtonMenuItem zappo = new JRadioButtonMenuItem();
502
503   JRadioButtonMenuItem user = new JRadioButtonMenuItem();
504
505   JRadioButtonMenuItem buried = new JRadioButtonMenuItem();
506
507   JRadioButtonMenuItem turn = new JRadioButtonMenuItem();
508
509   JRadioButtonMenuItem strand = new JRadioButtonMenuItem();
510
511   JRadioButtonMenuItem helix = new JRadioButtonMenuItem();
512
513   JMenu viewMenu = new JMenu();
514
515   JMenuItem background = new JMenuItem();
516
517   JMenuItem savePDB = new JMenuItem();
518
519   /**
520    * DOCUMENT ME!
521    * 
522    * @param e
523    *          DOCUMENT ME!
524    */
525   public void eps_actionPerformed(ActionEvent e)
526   {
527     makePDBImage(jalview.util.ImageMaker.TYPE.EPS);
528   }
529
530   /**
531    * DOCUMENT ME!
532    * 
533    * @param e
534    *          DOCUMENT ME!
535    */
536   public void png_actionPerformed(ActionEvent e)
537   {
538     makePDBImage(jalview.util.ImageMaker.TYPE.PNG);
539   }
540
541   void makePDBImage(jalview.util.ImageMaker.TYPE type)
542   {
543     int width = pdbcanvas.getWidth();
544     int height = pdbcanvas.getHeight();
545
546     jalview.util.ImageMaker im;
547
548     if (type == jalview.util.ImageMaker.TYPE.PNG)
549     {
550       im = new jalview.util.ImageMaker(this,
551               jalview.util.ImageMaker.TYPE.PNG, "Make PNG image from view",
552               width, height, null, null, null, 0, false);
553     }
554     else if (type == jalview.util.ImageMaker.TYPE.EPS)
555     {
556       im = new jalview.util.ImageMaker(this,
557               jalview.util.ImageMaker.TYPE.EPS, "Make EPS file from view",
558               width, height, null, this.getTitle(), null, 0, false);
559     }
560     else
561     {
562
563       im = new jalview.util.ImageMaker(this,
564               jalview.util.ImageMaker.TYPE.SVG, "Make SVG file from PCA",
565               width, height, null, this.getTitle(), null, 0, false);
566     }
567
568     if (im.getGraphics() != null)
569     {
570       pdbcanvas.drawAll(im.getGraphics(), width, height);
571       im.writeImage();
572     }
573   }
574
575   public void charge_actionPerformed(ActionEvent e)
576   {
577     pdbcanvas.bysequence = false;
578     pdbcanvas.pdb.setChargeColours();
579     pdbcanvas.redrawneeded = true;
580     pdbcanvas.repaint();
581   }
582
583   public void hydro_actionPerformed(ActionEvent e)
584   {
585     pdbcanvas.bysequence = false;
586     pdbcanvas.pdb.setColours(new HydrophobicColourScheme());
587     pdbcanvas.redrawneeded = true;
588     pdbcanvas.repaint();
589   }
590
591   public void chain_actionPerformed(ActionEvent e)
592   {
593     pdbcanvas.bysequence = false;
594     pdbcanvas.pdb.setChainColours();
595     pdbcanvas.redrawneeded = true;
596     pdbcanvas.repaint();
597   }
598
599   public void zbuffer_actionPerformed(ActionEvent e)
600   {
601     pdbcanvas.zbuffer = !pdbcanvas.zbuffer;
602     pdbcanvas.redrawneeded = true;
603     pdbcanvas.repaint();
604   }
605
606   public void molecule_actionPerformed(ActionEvent e)
607   {
608     pdbcanvas.bymolecule = !pdbcanvas.bymolecule;
609     pdbcanvas.redrawneeded = true;
610     pdbcanvas.repaint();
611   }
612
613   public void depth_actionPerformed(ActionEvent e)
614   {
615     pdbcanvas.depthcue = !pdbcanvas.depthcue;
616     pdbcanvas.redrawneeded = true;
617     pdbcanvas.repaint();
618   }
619
620   public void wire_actionPerformed(ActionEvent e)
621   {
622     pdbcanvas.wire = !pdbcanvas.wire;
623     pdbcanvas.redrawneeded = true;
624     pdbcanvas.repaint();
625   }
626
627   public void seqButton_actionPerformed(ActionEvent e)
628   {
629     pdbcanvas.bysequence = true;
630     pdbcanvas.updateSeqColours();
631   }
632
633   public void mapping_actionPerformed(ActionEvent e)
634   {
635     jalview.gui.CutAndPasteTransfer cap = new jalview.gui.CutAndPasteTransfer();
636     try
637     {
638       cap.setText(pdbcanvas.mappingDetails.toString());
639       Desktop.addInternalFrame(cap,
640               MessageManager.getString("label.pdb_sequence_mapping"), 550,
641               600);
642     } catch (OutOfMemoryError oom)
643     {
644       new OOMWarning("Opening sequence to structure mapping report", oom);
645       cap.dispose();
646     }
647   }
648
649   public void allchains_itemStateChanged(ItemEvent e)
650   {
651     pdbcanvas.setAllchainsVisible(allchains.getState());
652   }
653
654   public void zappo_actionPerformed(ActionEvent e)
655   {
656     pdbcanvas.bysequence = false;
657     pdbcanvas.pdb.setColours(new ZappoColourScheme());
658     pdbcanvas.redrawneeded = true;
659     pdbcanvas.repaint();
660   }
661
662   public void taylor_actionPerformed(ActionEvent e)
663   {
664     pdbcanvas.bysequence = false;
665     pdbcanvas.pdb.setColours(new TaylorColourScheme());
666     pdbcanvas.redrawneeded = true;
667     pdbcanvas.repaint();
668   }
669
670   public void helix_actionPerformed(ActionEvent e)
671   {
672     pdbcanvas.bysequence = false;
673     pdbcanvas.pdb.setColours(new HelixColourScheme());
674     pdbcanvas.redrawneeded = true;
675     pdbcanvas.repaint();
676   }
677
678   public void strand_actionPerformed(ActionEvent e)
679   {
680     pdbcanvas.bysequence = false;
681     pdbcanvas.pdb.setColours(new StrandColourScheme());
682     pdbcanvas.redrawneeded = true;
683     pdbcanvas.repaint();
684   }
685
686   public void turn_actionPerformed(ActionEvent e)
687   {
688     pdbcanvas.bysequence = false;
689     pdbcanvas.pdb.setColours(new TurnColourScheme());
690     pdbcanvas.redrawneeded = true;
691     pdbcanvas.repaint();
692   }
693
694   public void buried_actionPerformed(ActionEvent e)
695   {
696     pdbcanvas.bysequence = false;
697     pdbcanvas.pdb.setColours(new BuriedColourScheme());
698     pdbcanvas.redrawneeded = true;
699     pdbcanvas.repaint();
700   }
701
702   public void user_actionPerformed(ActionEvent e)
703   {
704     if (e.getActionCommand().equals(
705             MessageManager.getString("action.user_defined")))
706     {
707       // new UserDefinedColours(pdbcanvas, null);
708     }
709     else
710     {
711       UserColourScheme udc = (UserColourScheme) UserDefinedColours
712               .getUserColourSchemes().get(e.getActionCommand());
713
714       pdbcanvas.pdb.setColours(udc);
715       pdbcanvas.redrawneeded = true;
716       pdbcanvas.repaint();
717     }
718   }
719
720   public void background_actionPerformed(ActionEvent e)
721   {
722     java.awt.Color col = JColorChooser.showDialog(this,
723             MessageManager.getString("label.select_backgroud_colour"),
724             pdbcanvas.backgroundColour);
725
726     if (col != null)
727     {
728       pdbcanvas.backgroundColour = col;
729       pdbcanvas.redrawneeded = true;
730       pdbcanvas.repaint();
731     }
732   }
733
734   public void savePDB_actionPerformed(ActionEvent e)
735   {
736     JalviewFileChooser chooser = new JalviewFileChooser(
737             jalview.bin.Cache.getProperty("LAST_DIRECTORY"));
738
739     chooser.setFileView(new JalviewFileView());
740     chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file"));
741     chooser.setToolTipText(MessageManager.getString("action.save"));
742
743     int value = chooser.showSaveDialog(this);
744
745     if (value == JalviewFileChooser.APPROVE_OPTION)
746     {
747       try
748       {
749         BufferedReader in = new BufferedReader(new FileReader(tmpPDBFile));
750         File outFile = chooser.getSelectedFile();
751
752         PrintWriter out = new PrintWriter(new FileOutputStream(outFile));
753         String data;
754         while ((data = in.readLine()) != null)
755         {
756           if (!(data.indexOf("<PRE>") > -1 || data.indexOf("</PRE>") > -1))
757           {
758             out.println(data);
759           }
760         }
761         out.close();
762         in.close();
763       } catch (Exception ex)
764       {
765         ex.printStackTrace();
766       }
767     }
768   }
769 }