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.
23 import jalview.bin.Cache;
24 import jalview.datamodel.Alignment;
25 import jalview.datamodel.AlignmentI;
26 import jalview.datamodel.HiddenColumns;
27 import jalview.datamodel.PDBEntry;
28 import jalview.datamodel.SequenceI;
29 import jalview.gui.StructureViewer.ViewerType;
30 import jalview.gui.ViewSelectionMenu.ViewSetProvider;
31 import jalview.io.DataSourceType;
32 import jalview.io.JalviewFileChooser;
33 import jalview.io.JalviewFileView;
34 import jalview.jbgui.GStructureViewer;
35 import jalview.schemes.ColourSchemeI;
36 import jalview.schemes.ColourSchemes;
37 import jalview.structures.models.AAStructureBindingModel;
38 import jalview.util.MessageManager;
40 import java.awt.Color;
41 import java.awt.Component;
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.io.BufferedReader;
48 import java.io.FileOutputStream;
49 import java.io.FileReader;
50 import java.io.IOException;
51 import java.io.PrintWriter;
52 import java.util.ArrayList;
53 import java.util.List;
54 import java.util.Vector;
56 import javax.swing.ButtonGroup;
57 import javax.swing.JCheckBoxMenuItem;
58 import javax.swing.JColorChooser;
59 import javax.swing.JMenu;
60 import javax.swing.JMenuItem;
61 import javax.swing.JRadioButtonMenuItem;
62 import javax.swing.event.MenuEvent;
63 import javax.swing.event.MenuListener;
66 * Base class with common functionality for JMol, Chimera or other structure
72 public abstract class StructureViewerBase extends GStructureViewer
73 implements Runnable, ViewSetProvider
76 * names for colour options (additional to Jalview colour schemes)
80 BySequence, ByChain, ChargeCysteine, ByViewer
84 * list of sequenceSet ids associated with the view
86 protected List<String> _aps = new ArrayList<String>();
89 * list of alignment panels to use for superposition
91 protected Vector<AlignmentPanel> _alignwith = new Vector<AlignmentPanel>();
94 * list of alignment panels that are used for colouring structures by aligned
97 protected Vector<AlignmentPanel> _colourwith = new Vector<AlignmentPanel>();
99 private String viewId = null;
101 private AlignmentPanel ap;
103 protected boolean alignAddedStructures = false;
105 protected boolean _started = false;
107 protected boolean addingStructures = false;
109 protected Thread worker = null;
111 protected boolean allChainsSelected = false;
113 protected JMenu viewSelectionMenu;
116 * Default constructor
118 public StructureViewerBase()
126 * @return true if this Jmol instance is linked with the given alignPanel
128 public boolean isLinkedWith(AlignmentPanel ap2)
130 return _aps.contains(ap2.av.getSequenceSetId());
133 public boolean isUsedforaligment(AlignmentPanel ap2)
136 return (_alignwith != null) && _alignwith.contains(ap2);
139 public boolean isUsedforcolourby(AlignmentPanel ap2)
141 return (_colourwith != null) && _colourwith.contains(ap2);
146 * @return TRUE if the view is NOT being coloured by the alignment colours.
148 public boolean isColouredByViewer()
150 return !getBinding().isColourBySequence();
153 public String getViewId()
157 viewId = System.currentTimeMillis() + "." + this.hashCode();
162 protected void setViewId(String viewId)
164 this.viewId = viewId;
167 public abstract String getStateInfo();
169 protected void buildActionMenu()
171 if (_alignwith == null)
173 _alignwith = new Vector<AlignmentPanel>();
175 if (_alignwith.size() == 0 && ap != null)
180 for (Component c : viewerActionMenu.getMenuComponents())
182 if (c != alignStructs)
184 viewerActionMenu.remove((JMenuItem) c);
189 public AlignmentPanel getAlignmentPanel()
194 protected void setAlignmentPanel(AlignmentPanel alp)
200 public AlignmentPanel[] getAllAlignmentPanels()
202 AlignmentPanel[] t, list = new AlignmentPanel[0];
203 for (String setid : _aps)
205 AlignmentPanel[] panels = PaintRefresher.getAssociatedPanels(setid);
208 t = new AlignmentPanel[list.length + panels.length];
209 System.arraycopy(list, 0, t, 0, list.length);
210 System.arraycopy(panels, 0, t, list.length, panels.length);
219 * set the primary alignmentPanel reference and add another alignPanel to the
220 * list of ones to use for colouring and aligning
224 public void addAlignmentPanel(AlignmentPanel nap)
226 if (getAlignmentPanel() == null)
228 setAlignmentPanel(nap);
230 if (!_aps.contains(nap.av.getSequenceSetId()))
232 _aps.add(nap.av.getSequenceSetId());
237 * remove any references held to the given alignment panel
241 public void removeAlignmentPanel(AlignmentPanel nap)
245 _alignwith.remove(nap);
246 _colourwith.remove(nap);
247 if (getAlignmentPanel() == nap)
249 setAlignmentPanel(null);
250 for (AlignmentPanel aps : getAllAlignmentPanels())
254 setAlignmentPanel(aps);
259 } catch (Exception ex)
262 if (getAlignmentPanel() != null)
268 public void useAlignmentPanelForSuperposition(AlignmentPanel nap)
270 addAlignmentPanel(nap);
271 if (!_alignwith.contains(nap))
277 public void excludeAlignmentPanelForSuperposition(AlignmentPanel nap)
279 if (_alignwith.contains(nap))
281 _alignwith.remove(nap);
285 public void useAlignmentPanelForColourbyseq(AlignmentPanel nap,
286 boolean enableColourBySeq)
288 useAlignmentPanelForColourbyseq(nap);
289 getBinding().setColourBySequence(enableColourBySeq);
290 seqColour.setSelected(enableColourBySeq);
291 viewerColour.setSelected(!enableColourBySeq);
294 public void useAlignmentPanelForColourbyseq(AlignmentPanel nap)
296 addAlignmentPanel(nap);
297 if (!_colourwith.contains(nap))
299 _colourwith.add(nap);
303 public void excludeAlignmentPanelForColourbyseq(AlignmentPanel nap)
305 if (_colourwith.contains(nap))
307 _colourwith.remove(nap);
311 public abstract ViewerType getViewerType();
314 * add a new structure (with associated sequences and chains) to this viewer,
315 * retrieving it if necessary first.
321 * if true, new structure(s) will be aligned using associated
325 protected void addStructure(final PDBEntry pdbentry,
326 final SequenceI[] seqs, final String[] chains,
327 final boolean align, final IProgressIndicator alignFrame)
329 if (pdbentry.getFile() == null)
331 if (worker != null && worker.isAlive())
333 // a retrieval is in progress, wait around and add ourselves to the
335 new Thread(new Runnable()
340 while (worker != null && worker.isAlive() && _started)
344 Thread.sleep(100 + ((int) Math.random() * 100));
346 } catch (Exception e)
350 // and call ourselves again.
351 addStructure(pdbentry, seqs, chains, align, alignFrame);
357 // otherwise, start adding the structure.
358 getBinding().addSequenceAndChain(new PDBEntry[] { pdbentry },
360 { seqs }, new String[][] { chains });
361 addingStructures = true;
363 alignAddedStructures = align;
364 worker = new Thread(this);
370 * Presents a dialog with the option to add an align a structure to an
371 * existing structure view
375 * @return YES, NO or CANCEL JvOptionPane code
377 protected int chooseAlignStructureToViewer(String pdbId,
378 StructureViewerBase view)
380 int option = JvOptionPane.showInternalConfirmDialog(Desktop.desktop,
381 MessageManager.formatMessage("label.add_pdbentry_to_view",
383 { pdbId, view.getTitle() }),
385 .getString("label.align_to_existing_structure_view"),
386 JvOptionPane.YES_NO_CANCEL_OPTION);
390 protected boolean hasPdbId(String pdbId)
392 return getBinding().hasPdbId(pdbId);
395 protected abstract List<StructureViewerBase> getViewersFor(
399 * Check for any existing views involving this alignment and give user the
400 * option to add and align this molecule to one of them
407 * @return true if user adds to a view, or cancels entirely, else false
409 protected boolean addToExistingViewer(PDBEntry pdbentry, SequenceI[] seq,
410 String[] chains, final AlignmentPanel apanel, String pdbId)
412 for (StructureViewerBase view : getViewersFor(apanel))
414 // TODO: highlight the view somehow
416 * JAL-1742 exclude view with this structure already mapped (don't offer
417 * to align chain B to chain A of the same structure)
419 if (view.hasPdbId(pdbId))
423 int option = chooseAlignStructureToViewer(pdbId, view);
424 if (option == JvOptionPane.CANCEL_OPTION)
428 else if (option == JvOptionPane.YES_OPTION)
430 view.useAlignmentPanelForSuperposition(apanel);
431 view.addStructure(pdbentry, seq, chains, true, apanel.alignFrame);
436 // NO_OPTION - offer the next viewer if any
441 * nothing offered and selected
447 * Adds mappings for the given sequences to an already opened PDB structure,
448 * and updates any viewers that have the PDB file
454 protected void addSequenceMappingsToStructure(SequenceI[] seq,
455 final AlignmentPanel apanel, String pdbFilename)
457 // TODO : Fix multiple seq to one chain issue here.
459 * create the mappings
461 apanel.getStructureSelectionManager().setMapping(seq, null,
462 pdbFilename, DataSourceType.FILE);
465 * alert the FeatureRenderer to show new (PDB RESNUM) features
467 if (apanel.getSeqPanel().seqCanvas.fr != null)
469 apanel.getSeqPanel().seqCanvas.fr.featuresAdded();
470 apanel.paintAlignment(true);
474 * add the sequences to any other viewers (of the same type) for this pdb
477 // JBPNOTE: this looks like a binding routine, rather than a gui routine
478 for (StructureViewerBase viewer : getViewersFor(null))
480 AAStructureBindingModel bindingModel = viewer.getBinding();
481 for (int pe = 0; pe < bindingModel.getPdbCount(); pe++)
483 if (bindingModel.getPdbEntry(pe).getFile().equals(pdbFilename))
485 bindingModel.addSequence(pe, seq);
486 viewer.addAlignmentPanel(apanel);
488 * add it to the set of alignments used for colouring structure by
491 viewer.useAlignmentPanelForColourbyseq(apanel);
492 viewer.buildActionMenu();
493 apanel.getStructureSelectionManager()
494 .sequenceColoursChanged(apanel);
502 * Check if the PDB file is already loaded, if so offer to add it to the
509 * @return true if the user chooses to add to a viewer, or to cancel entirely
511 protected boolean addAlreadyLoadedFile(SequenceI[] seq,
512 final AlignmentPanel apanel, String pdbId)
514 boolean finished = false;
515 String alreadyMapped = apanel.getStructureSelectionManager()
516 .alreadyMappedToFile(pdbId);
518 if (alreadyMapped != null)
521 * the PDB file is already loaded
523 int option = JvOptionPane.showInternalConfirmDialog(Desktop.desktop,
524 MessageManager.formatMessage(
525 "label.pdb_entry_is_already_displayed", new Object[]
527 MessageManager.formatMessage(
528 "label.map_sequences_to_visible_window", new Object[]
530 JvOptionPane.YES_NO_CANCEL_OPTION);
531 if (option == JvOptionPane.CANCEL_OPTION)
535 else if (option == JvOptionPane.YES_OPTION)
537 addSequenceMappingsToStructure(seq, apanel, alreadyMapped);
544 void setChainMenuItems(List<String> chainNames)
546 chainMenu.removeAll();
547 if (chainNames == null || chainNames.isEmpty())
551 JMenuItem menuItem = new JMenuItem(
552 MessageManager.getString("label.all"));
553 menuItem.addActionListener(new ActionListener()
556 public void actionPerformed(ActionEvent evt)
558 allChainsSelected = true;
559 for (int i = 0; i < chainMenu.getItemCount(); i++)
561 if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem)
563 ((JCheckBoxMenuItem) chainMenu.getItem(i)).setSelected(true);
566 showSelectedChains();
567 allChainsSelected = false;
571 chainMenu.add(menuItem);
573 for (String chain : chainNames)
575 menuItem = new JCheckBoxMenuItem(chain, true);
576 menuItem.addItemListener(new ItemListener()
579 public void itemStateChanged(ItemEvent evt)
581 if (!allChainsSelected)
583 showSelectedChains();
588 chainMenu.add(menuItem);
592 abstract void showSelectedChains();
595 * Action on selecting one of Jalview's registered colour schemes
598 public void changeColour_actionPerformed(String colourSchemeName)
600 AlignmentI al = getAlignmentPanel().av.getAlignment();
601 ColourSchemeI cs = ColourSchemes.getInstance()
602 .getColourScheme(colourSchemeName, al, null);
603 getBinding().setJalviewColourScheme(cs);
607 * Builds the colour menu
609 protected void buildColourMenu()
611 colourMenu.removeAll();
612 AlignmentI al = getAlignmentPanel().av.getAlignment();
615 * add colour by sequence, by chain, by charge and cysteine
617 colourMenu.add(seqColour);
618 colourMenu.add(chainColour);
619 colourMenu.add(chargeColour);
620 chargeColour.setEnabled(!al.isNucleotide());
623 * add all 'simple' (per-residue) colour schemes registered to Jalview
625 ButtonGroup itemGroup = ColourMenuHelper.addMenuItems(colourMenu, this,
629 * add 'colour by viewer' (menu item text is set in subclasses)
631 viewerColour.setSelected(false);
632 viewerColour.addActionListener(new ActionListener()
635 public void actionPerformed(ActionEvent actionEvent)
637 viewerColour_actionPerformed(actionEvent);
640 colourMenu.add(viewerColour);
643 * add 'set background colour'
645 JMenuItem backGround = new JMenuItem();
647 .setText(MessageManager.getString("action.background_colour"));
648 backGround.addActionListener(new ActionListener()
651 public void actionPerformed(ActionEvent actionEvent)
653 background_actionPerformed(actionEvent);
656 colourMenu.add(backGround);
659 * add colour buttons to a group so their selection is
660 * mutually exclusive (background colour is a separate option)
662 itemGroup.add(seqColour);
663 itemGroup.add(chainColour);
664 itemGroup.add(chargeColour);
665 itemGroup.add(viewerColour);
669 * Construct menu items
671 protected void initMenus()
673 AAStructureBindingModel binding = getBinding();
675 seqColour = new JRadioButtonMenuItem();
676 seqColour.setText(MessageManager.getString("action.by_sequence"));
677 seqColour.setName(ViewerColour.BySequence.name());
678 seqColour.setSelected(binding.isColourBySequence());
679 seqColour.addActionListener(new ActionListener()
682 public void actionPerformed(ActionEvent actionEvent)
684 seqColour_actionPerformed(actionEvent);
688 chainColour = new JRadioButtonMenuItem();
689 chainColour.setText(MessageManager.getString("action.by_chain"));
690 chainColour.setName(ViewerColour.ByChain.name());
691 chainColour.addActionListener(new ActionListener()
694 public void actionPerformed(ActionEvent actionEvent)
696 chainColour_actionPerformed(actionEvent);
700 chargeColour = new JRadioButtonMenuItem();
701 chargeColour.setText(MessageManager.getString("label.charge_cysteine"));
702 chargeColour.setName(ViewerColour.ChargeCysteine.name());
703 chargeColour.addActionListener(new ActionListener()
706 public void actionPerformed(ActionEvent actionEvent)
708 chargeColour_actionPerformed(actionEvent);
712 viewerColour = new JRadioButtonMenuItem();
713 // text is set in overrides of this method
714 viewerColour.setName(ViewerColour.ByViewer.name());
715 viewerColour.setSelected(!binding.isColourBySequence());
717 if (_colourwith == null)
719 _colourwith = new Vector<AlignmentPanel>();
721 if (_alignwith == null)
723 _alignwith = new Vector<AlignmentPanel>();
726 ViewSelectionMenu seqColourBy = new ViewSelectionMenu(
727 MessageManager.getString("label.colour_by"), this, _colourwith,
731 public void itemStateChanged(ItemEvent e)
733 if (!seqColour.isSelected())
739 // update the Chimera display now.
740 seqColour_actionPerformed(null);
744 viewMenu.add(seqColourBy);
746 final ItemListener handler = new ItemListener()
749 public void itemStateChanged(ItemEvent e)
751 alignStructs.setEnabled(!_alignwith.isEmpty());
752 alignStructs.setToolTipText(MessageManager.formatMessage(
753 "label.align_structures_using_linked_alignment_views",
757 viewSelectionMenu = new ViewSelectionMenu(
758 MessageManager.getString("label.superpose_with"), this,
759 _alignwith, handler);
760 handler.itemStateChanged(null);
761 viewerActionMenu.add(viewSelectionMenu, 0);
762 viewerActionMenu.addMenuListener(new MenuListener()
765 public void menuSelected(MenuEvent e)
767 handler.itemStateChanged(null);
771 public void menuDeselected(MenuEvent e)
776 public void menuCanceled(MenuEvent e)
785 public void setJalviewColourScheme(ColourSchemeI cs)
787 getBinding().setJalviewColourScheme(cs);
791 * Sends commands to the structure viewer to superimpose structures based on
792 * currently associated alignments. May optionally return an error message for
796 protected String alignStructs_actionPerformed(ActionEvent actionEvent)
798 return alignStructs_withAllAlignPanels();
801 protected String alignStructs_withAllAlignPanels()
803 if (getAlignmentPanel() == null)
808 if (_alignwith.size() == 0)
810 _alignwith.add(getAlignmentPanel());
816 AlignmentI[] als = new Alignment[_alignwith.size()];
817 HiddenColumns[] alc = new HiddenColumns[_alignwith.size()];
818 int[] alm = new int[_alignwith.size()];
821 for (AlignmentPanel ap : _alignwith)
823 als[a] = ap.av.getAlignment();
825 alc[a++] = ap.av.getAlignment().getHiddenColumns();
827 reply = getBinding().superposeStructures(als, alm, alc);
830 String text = MessageManager
831 .formatMessage("error.superposition_failed", reply);
832 statusBar.setText(text);
834 } catch (Exception e)
836 StringBuffer sp = new StringBuffer();
837 for (AlignmentPanel ap : _alignwith)
839 sp.append("'" + ap.alignFrame.getTitle() + "' ");
841 Cache.log.info("Couldn't align structures with the " + sp.toString()
842 + "associated alignment panels.", e);
848 public void background_actionPerformed(ActionEvent actionEvent)
850 Color col = JColorChooser.showDialog(this,
851 MessageManager.getString("label.select_background_colour"),
855 getBinding().setBackgroundColour(col);
860 public void viewerColour_actionPerformed(ActionEvent actionEvent)
862 if (viewerColour.isSelected())
864 // disable automatic sequence colouring.
865 getBinding().setColourBySequence(false);
870 public void chainColour_actionPerformed(ActionEvent actionEvent)
872 chainColour.setSelected(true);
873 getBinding().colourByChain();
877 public void chargeColour_actionPerformed(ActionEvent actionEvent)
879 chargeColour.setSelected(true);
880 getBinding().colourByCharge();
884 public void seqColour_actionPerformed(ActionEvent actionEvent)
886 AAStructureBindingModel binding = getBinding();
887 binding.setColourBySequence(seqColour.isSelected());
888 if (_colourwith == null)
890 _colourwith = new Vector<AlignmentPanel>();
892 if (binding.isColourBySequence())
894 if (!binding.isLoadingFromArchive())
896 if (_colourwith.size() == 0 && getAlignmentPanel() != null)
898 // Make the currently displayed alignment panel the associated view
899 _colourwith.add(getAlignmentPanel().alignFrame.alignPanel);
902 // Set the colour using the current view for the associated alignframe
903 for (AlignmentPanel ap : _colourwith)
905 binding.colourBySequence(ap);
911 public void pdbFile_actionPerformed(ActionEvent actionEvent)
913 JalviewFileChooser chooser = new JalviewFileChooser(
914 Cache.getProperty("LAST_DIRECTORY"));
916 chooser.setFileView(new JalviewFileView());
917 chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file"));
918 chooser.setToolTipText(MessageManager.getString("action.save"));
920 int value = chooser.showSaveDialog(this);
922 if (value == JalviewFileChooser.APPROVE_OPTION)
924 BufferedReader in = null;
927 // TODO: cope with multiple PDB files in view
928 in = new BufferedReader(
929 new FileReader(getBinding().getStructureFiles()[0]));
930 File outFile = chooser.getSelectedFile();
932 PrintWriter out = new PrintWriter(new FileOutputStream(outFile));
934 while ((data = in.readLine()) != null)
936 if (!(data.indexOf("<PRE>") > -1 || data.indexOf("</PRE>") > -1))
942 } catch (Exception ex)
944 ex.printStackTrace();
952 } catch (IOException e)
962 public void viewMapping_actionPerformed(ActionEvent actionEvent)
964 CutAndPasteTransfer cap = new CutAndPasteTransfer();
967 cap.appendText(getBinding().printMappings());
968 } catch (OutOfMemoryError e)
971 "composing sequence-structure alignments for display in text box.",
976 Desktop.addInternalFrame(cap,
977 MessageManager.getString("label.pdb_sequence_mapping"), 550,
981 protected abstract String getViewerName();
984 * Configures the title and menu items of the viewer panel.
986 public void updateTitleAndMenus()
988 AAStructureBindingModel binding = getBinding();
989 if (binding.hasFileLoadingError())
994 setChainMenuItems(binding.getChainNames());
996 this.setTitle(binding.getViewerTitle(getViewerName(), true));
999 * enable 'Superpose with' if more than one mapped structure
1001 viewSelectionMenu.setEnabled(false);
1002 if (getBinding().getStructureFiles().length > 1
1003 && getBinding().getSequence().length > 1)
1005 viewSelectionMenu.setEnabled(true);
1009 * Show action menu if it has any enabled items
1011 viewerActionMenu.setVisible(false);
1012 for (int i = 0; i < viewerActionMenu.getItemCount(); i++)
1014 if (viewerActionMenu.getItem(i).isEnabled())
1016 viewerActionMenu.setVisible(true);
1021 if (!binding.isLoadingFromArchive())
1023 seqColour_actionPerformed(null);