X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FChimeraViewFrame.java;h=530f4fe5342f250f963236bde3c07804a0ba5359;hb=7d6bf4ac01167499c0f4e07de63edcdd72a6d595;hp=b933345c268d2e544601821301af22c22d0dc5cd;hpb=310f8725761c11d85f690f98f0bb3e49e1d4709a;p=jalview.git diff --git a/src/jalview/gui/ChimeraViewFrame.java b/src/jalview/gui/ChimeraViewFrame.java index b933345..530f4fe 100644 --- a/src/jalview/gui/ChimeraViewFrame.java +++ b/src/jalview/gui/ChimeraViewFrame.java @@ -20,57 +20,33 @@ */ package jalview.gui; +import jalview.bin.Cache; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.PDBEntry; +import jalview.datamodel.SequenceI; +import jalview.ext.rbvi.chimera.JalviewChimeraBinding; +import jalview.gui.StructureViewer.ViewerType; +import jalview.io.DataSourceType; +import jalview.io.StructureFile; +import jalview.structures.models.AAStructureBindingModel; +import jalview.util.BrowserLauncher; +import jalview.util.MessageManager; +import jalview.util.Platform; +import jalview.ws.dbsources.Pdb; + import java.awt.event.ActionEvent; -import java.awt.event.ActionListener; -import java.awt.event.ItemEvent; -import java.awt.event.ItemListener; -import java.io.BufferedReader; import java.io.File; -import java.io.FileOutputStream; -import java.io.FileReader; +import java.io.FileInputStream; import java.io.IOException; -import java.io.PrintWriter; +import java.io.InputStream; import java.util.ArrayList; import java.util.List; -import java.util.Map; import java.util.Random; -import java.util.Set; -import java.util.Vector; import javax.swing.JCheckBoxMenuItem; -import javax.swing.JColorChooser; import javax.swing.JInternalFrame; -import javax.swing.JMenu; -import javax.swing.JMenuItem; -import javax.swing.JOptionPane; import javax.swing.event.InternalFrameAdapter; import javax.swing.event.InternalFrameEvent; -import javax.swing.event.MenuEvent; -import javax.swing.event.MenuListener; - -import jalview.bin.Cache; -import jalview.datamodel.Alignment; -import jalview.datamodel.AlignmentI; -import jalview.datamodel.ColumnSelection; -import jalview.datamodel.PDBEntry; -import jalview.datamodel.SequenceI; -import jalview.ext.rbvi.chimera.JalviewChimeraBinding; -import jalview.io.AppletFormatAdapter; -import jalview.io.JalviewFileChooser; -import jalview.io.JalviewFileView; -import jalview.schemes.BuriedColourScheme; -import jalview.schemes.ColourSchemeI; -import jalview.schemes.HelixColourScheme; -import jalview.schemes.HydrophobicColourScheme; -import jalview.schemes.PurinePyrimidineColourScheme; -import jalview.schemes.StrandColourScheme; -import jalview.schemes.TaylorColourScheme; -import jalview.schemes.TurnColourScheme; -import jalview.schemes.ZappoColourScheme; -import jalview.structures.models.AAStructureBindingModel; -import jalview.util.MessageManager; -import jalview.util.Platform; -import jalview.ws.dbsources.Pdb; /** * GUI elements for handling an external chimera display @@ -84,23 +60,9 @@ public class ChimeraViewFrame extends StructureViewerBase private boolean allChainsSelected = false; - private boolean alignAddedStructures = false; - - /* - * state flag for PDB retrieval thread - */ - private boolean _started = false; - - private boolean addingStructures = false; - private IProgressIndicator progressBar = null; /* - * pdb retrieval thread. - */ - private Thread worker = null; - - /* * Path to Chimera session file. This is set when an open Jalview/Chimera * session is saved, or on restore from a Jalview project (if it holds the * filename of any saved Chimera sessions). @@ -112,88 +74,21 @@ public class ChimeraViewFrame extends StructureViewerBase /** * Initialise menu options. */ - private void initMenus() + @Override + protected void initMenus() { + super.initMenus(); + viewerActionMenu.setText(MessageManager.getString("label.chimera")); + viewerColour.setText(MessageManager .getString("label.colour_with_chimera")); viewerColour.setToolTipText(MessageManager .getString("label.let_chimera_manage_structure_colours")); - helpItem.setText(MessageManager.getString("label.chimera_help")); - seqColour.setSelected(jmb.isColourBySequence()); - viewerColour.setSelected(!jmb.isColourBySequence()); - if (_colourwith == null) - { - _colourwith = new Vector(); - } - if (_alignwith == null) - { - _alignwith = new Vector(); - } - // save As not yet implemented - savemenu.setVisible(false); - - ViewSelectionMenu seqColourBy = new ViewSelectionMenu( - MessageManager.getString("label.colour_by"), this, _colourwith, - new ItemListener() - { - @Override - public void itemStateChanged(ItemEvent e) - { - if (!seqColour.isSelected()) - { - seqColour.doClick(); - } - else - { - // update the Chimera display now. - seqColour_actionPerformed(null); - } - } - }); - viewMenu.add(seqColourBy); + helpItem.setText(MessageManager.getString("label.chimera_help")); + savemenu.setVisible(false); // not yet implemented viewMenu.add(fitToWindow); - - final ItemListener handler; - JMenu alpanels = new ViewSelectionMenu( - MessageManager.getString("label.superpose_with"), this, - _alignwith, handler = new ItemListener() - { - @Override - public void itemStateChanged(ItemEvent e) - { - alignStructs.setEnabled(_alignwith.size() > 0); - alignStructs.setToolTipText(MessageManager - .formatMessage( - "label.align_structures_using_linked_alignment_views", - new Object[] - { new Integer(_alignwith.size()).toString() })); - } - }); - handler.itemStateChanged(null); - viewerActionMenu.add(alpanels); - viewerActionMenu.addMenuListener(new MenuListener() - { - - @Override - public void menuSelected(MenuEvent e) - { - handler.itemStateChanged(null); - } - - @Override - public void menuDeselected(MenuEvent e) - { - // TODO Auto-generated method stub - } - - @Override - public void menuCanceled(MenuEvent e) - { - // TODO Auto-generated method stub - } - }); } /** @@ -207,159 +102,33 @@ public class ChimeraViewFrame extends StructureViewerBase public ChimeraViewFrame(PDBEntry pdbentry, SequenceI[] seq, String[] chains, final AlignmentPanel ap) { - super(); - - /* - * is the pdb file already loaded? - */ + this(); String pdbId = pdbentry.getId(); - String alreadyMapped = ap.getStructureSelectionManager() - .alreadyMappedToFile(pdbId); - - if (alreadyMapped != null) - { - int option = chooseAddSequencesToViewer(pdbId); - if (option == JOptionPane.CANCEL_OPTION) - { - return; - } - if (option == JOptionPane.YES_OPTION) - { - addSequenceMappingsToStructure(seq, chains, ap, alreadyMapped); - return; - } - } /* - * Check if there are other Chimera views involving this alignment and give - * user the option to add and align this molecule to one of them + * If the PDB file is already loaded, the user may just choose to add to an + * existing viewer (or cancel) */ - List existingViews = getChimeraWindowsFor(ap); - for (ChimeraViewFrame view : existingViews) + if (addAlreadyLoadedFile(seq, chains, ap, pdbId)) { - // TODO: highlight view somehow - /* - * JAL-1742 exclude view with this structure already mapped (don't offer - * to align chain B to chain A of the same structure) - */ - if (view.hasPdbId(pdbId)) - { - continue; - } - int option = chooseAlignStructureToViewer(pdbId, view); - if (option == JOptionPane.CANCEL_OPTION) - { - return; - } - if (option == JOptionPane.YES_OPTION) - { - view.useAlignmentPanelForSuperposition(ap); - view.addStructure(pdbentry, seq, chains, true, ap.alignFrame); - return; - } + return; } /* - * If the options above are declined or do not apply, open a new viewer - */ - openNewChimera(ap, new PDBEntry[] - { pdbentry }, new SequenceI[][] - { seq }); - } - - /** - * Presents a dialog with the option to add an align a structure to an - * existing Chimera view - * - * @param pdbId - * @param view - * @return YES, NO or CANCEL JOptionPane code - */ - protected int chooseAlignStructureToViewer(String pdbId, - ChimeraViewFrame view) - { - int option = JOptionPane.showInternalConfirmDialog(Desktop.desktop, - MessageManager.formatMessage("label.add_pdbentry_to_view", - new Object[] - { pdbId, view.getTitle() }), MessageManager - .getString("label.align_to_existing_structure_view"), - JOptionPane.YES_NO_CANCEL_OPTION); - return option; - } - - /** - * Presents a dialog with the option to add sequences to a viewer which - * already has their structure open - * - * @param pdbId - * @return YES, NO or CANCEL JOptionPane code - */ - protected int chooseAddSequencesToViewer(String pdbId) - { - int option = JOptionPane.showInternalConfirmDialog(Desktop.desktop, - MessageManager.formatMessage( - "label.pdb_entry_is_already_displayed", new Object[] - { pdbId }), MessageManager.formatMessage( - "label.map_sequences_to_visible_window", new Object[] - { pdbId }), JOptionPane.YES_NO_CANCEL_OPTION); - return option; - } - - /** - * Adds mappings for the given sequences to an already opened PDB structure, - * and updates any viewers that have the PDB file - * - * @param seq - * @param chains - * @param ap - * @param pdbFilename - */ - protected void addSequenceMappingsToStructure(SequenceI[] seq, - String[] chains, final AlignmentPanel ap, String pdbFilename) - { - // TODO : Fix multiple seq to one chain issue here. - /* - * create the mappings - */ - ap.getStructureSelectionManager().setMapping(seq, chains, pdbFilename, - AppletFormatAdapter.FILE); - - /* - * alert the FeatureRenderer to show new (PDB RESNUM) features + * Check if there are other Chimera views involving this alignment and give + * user the option to add and align this molecule to one of them (or cancel) */ - if (ap.getSeqPanel().seqCanvas.fr != null) + if (addToExistingViewer(pdbentry, seq, chains, ap, pdbId)) { - ap.getSeqPanel().seqCanvas.fr.featuresAdded(); - ap.paintAlignment(true); + return; } /* - * add the sequences to any other Chimera viewers for this pdb file + * If the options above are declined or do not apply, show the structure in + * a new viewer */ - // JBPNOTE: this looks like a binding routine, rather than a gui routine - for (JInternalFrame frame : Desktop.instance.getAllFrames()) - { - if (frame instanceof ChimeraViewFrame) - { - ChimeraViewFrame chimeraView = ((ChimeraViewFrame) frame); - for (int pe = 0; pe < chimeraView.jmb.getPdbCount(); pe++) - { - if (chimeraView.jmb.getPdbEntry(pe).getFile().equals(pdbFilename)) - { - chimeraView.jmb.addSequence(pe, seq); - chimeraView.addAlignmentPanel(ap); - /* - * add it to the set of alignments used for colouring structure by - * sequence - */ - chimeraView.useAlignmentPanelForColourbyseq(ap); - chimeraView.buildActionMenu(); - ap.getStructureSelectionManager().sequenceColoursChanged(ap); - break; - } - } - } - } + openNewChimera(ap, new PDBEntry[] { pdbentry }, + new SequenceI[][] { seq }); } /** @@ -373,21 +142,16 @@ public class ChimeraViewFrame extends StructureViewerBase } } - protected boolean hasPdbId(String pdbId) - { - return jmb.hasPdbId(pdbId); - } - private void openNewChimera(AlignmentPanel ap, PDBEntry[] pdbentrys, SequenceI[][] seqs) { createProgressBar(); - String[][] chains = extractChains(seqs); + // FIXME extractChains needs pdbentries to match IDs to PDBEntry(s) on seqs jmb = new JalviewChimeraBindingModel(this, - ap.getStructureSelectionManager(), pdbentrys, seqs, chains, - null); + ap.getStructureSelectionManager(), pdbentrys, seqs, null); addAlignmentPanel(ap); useAlignmentPanelForColourbyseq(ap); + if (pdbentrys.length > 1) { alignAddedStructures = true; @@ -403,6 +167,7 @@ public class ChimeraViewFrame extends StructureViewerBase this.addInternalFrameListener(new InternalFrameAdapter() { + @Override public void internalFrameClosing(InternalFrameEvent internalFrameEvent) { closeViewer(false); @@ -412,56 +177,25 @@ public class ChimeraViewFrame extends StructureViewerBase } /** - * Retrieve chains for sequences by inspecting their PDB refs. The hope is - * that the first will be to the sequence's own chain. Really need a more - * managed way of doing this. - * - * @param seqs - * @return - */ - protected String[][] extractChains(SequenceI[][] seqs) - { - String[][] chains = new String[seqs.length][]; - for (int i = 0; i < seqs.length; i++) - { - chains[i] = new String[seqs[i].length]; - int seqno = 0; - for (SequenceI seq : seqs[i]) - { - String chain = null; - if (seq.getDatasetSequence() != null) - { - Vector pdbrefs = seq.getDatasetSequence().getPDBId(); - if (pdbrefs != null && pdbrefs.size() > 0) - { - chain = pdbrefs.get(0).getChainCode(); - } - } - chains[i][seqno++] = chain; - } - } - return chains; - } - - /** * Create a new viewer from saved session state data including Chimera session - * file. - * - * @param chimeraSession + * file * + * @param chimeraSessionFile * @param alignPanel * @param pdbArray * @param seqsArray * @param colourByChimera * @param colourBySequence + * @param newViewId */ - public ChimeraViewFrame(String chimeraSession, AlignmentPanel alignPanel, - PDBEntry[] pdbArray, + public ChimeraViewFrame(String chimeraSessionFile, + AlignmentPanel alignPanel, PDBEntry[] pdbArray, SequenceI[][] seqsArray, boolean colourByChimera, - boolean colourBySequence) + boolean colourBySequence, String newViewId) { - super(); - this.chimeraSessionFile = chimeraSession; + this(); + setViewId(newViewId); + this.chimeraSessionFile = chimeraSessionFile; openNewChimera(alignPanel, pdbArray, seqsArray); if (colourByChimera) { @@ -488,101 +222,41 @@ public class ChimeraViewFrame extends StructureViewerBase public ChimeraViewFrame(PDBEntry[] pe, SequenceI[][] seqs, AlignmentPanel ap) { - super(); + this(); openNewChimera(ap, pe, seqs); } - public ChimeraViewFrame(Map> toView, - AlignmentPanel alignPanel) + /** + * Default constructor + */ + public ChimeraViewFrame() { super(); /* - * Convert the map of sequences per pdb entry into the tied arrays expected - * by openNewChimera - * - * TODO pass the Map down to openNewChimera and its callees instead + * closeViewer will decide whether or not to close this frame + * depending on whether user chooses to Cancel or not */ - final Set pdbEntries = toView.keySet(); - PDBEntry[] pdbs = pdbEntries.toArray(new PDBEntry[pdbEntries.size()]); - SequenceI[][] seqsForPdbs = new SequenceI[pdbEntries.size()][]; - for (int i = 0; i < pdbs.length; i++) - { - final List seqsForPdb = toView.get(pdbs[i]); - seqsForPdbs[i] = seqsForPdb.toArray(new SequenceI[seqsForPdb.size()]); - } - - openNewChimera(alignPanel, pdbs, seqsForPdbs); + setDefaultCloseOperation(JInternalFrame.DO_NOTHING_ON_CLOSE); } /** - * add a new structure (with associated sequences and chains) to this viewer, - * retrieving it if necessary first. - * - * @param pdbentry - * @param seq - * @param chains - * @param alignFrame - * @param align - * if true, new structure(s) will be align using associated alignment + * Returns a list of any Chimera viewers in the desktop. The list is + * restricted to those linked to the given alignment panel if it is not null. */ - private void addStructure(final PDBEntry pdbentry, final SequenceI[] seq, - final String[] chains, final boolean b, - final IProgressIndicator alignFrame) - { - if (pdbentry.getFile() == null) - { - if (worker != null && worker.isAlive()) - { - // a retrieval is in progress, wait around and add ourselves to the - // queue. - new Thread(new Runnable() - { - public void run() - { - while (worker != null && worker.isAlive() && _started) - { - try - { - Thread.sleep(100 + ((int) Math.random() * 100)); - - } catch (Exception e) - { - } - - } - // and call ourselves again. - addStructure(pdbentry, seq, chains, b, alignFrame); - } - }).start(); - return; - } - } - // otherwise, start adding the structure. - jmb.addSequenceAndChain(new PDBEntry[] - { pdbentry }, new SequenceI[][] - { seq }, new String[][] - { chains }); - addingStructures = true; - _started = false; - alignAddedStructures = b; - // progressBar = alignFrame; // visual indication happens on caller frame. - (worker = new Thread(this)).start(); - return; - } - - private List getChimeraWindowsFor(AlignmentPanel apanel) + @Override + protected List getViewersFor(AlignmentPanel ap) { - List result = new ArrayList(); + List result = new ArrayList(); JInternalFrame[] frames = Desktop.instance.getAllFrames(); for (JInternalFrame frame : frames) { if (frame instanceof ChimeraViewFrame) { - if (((StructureViewerBase) frame).isLinkedWith(apanel)) + if (ap == null || ((StructureViewerBase) frame).isLinkedWith(ap)) { - result.add((ChimeraViewFrame) frame); + result.add((StructureViewerBase) frame); } } } @@ -596,17 +270,16 @@ public class ChimeraViewFrame extends StructureViewerBase void initChimera() { jmb.setFinishedInit(false); - jalview.gui.Desktop.addInternalFrame(this, jmb.getViewerTitle("Chimera", true), - getBounds().width, getBounds().height); + jalview.gui.Desktop.addInternalFrame(this, + jmb.getViewerTitle(getViewerName(), true), getBounds().width, + getBounds().height); if (!jmb.launchChimera()) { - JOptionPane - .showMessageDialog( - Desktop.desktop, + JvOptionPane.showMessageDialog(Desktop.desktop, MessageManager.getString("label.chimera_failed"), MessageManager.getString("label.error_loading_file"), - JOptionPane.ERROR_MESSAGE); + JvOptionPane.ERROR_MESSAGE); this.dispose(); return; } @@ -626,61 +299,11 @@ public class ChimeraViewFrame extends StructureViewerBase jmb.startChimeraListener(); } - /** - * If the list is not empty, add menu items for 'All' and each individual - * chain to the "View | Show Chain" sub-menu. Multiple selections are allowed. - * - * @param chainNames - */ - void setChainMenuItems(List chainNames) - { - chainMenu.removeAll(); - if (chainNames == null || chainNames.isEmpty()) - { - return; - } - JMenuItem menuItem = new JMenuItem( - MessageManager.getString("label.all")); - menuItem.addActionListener(new ActionListener() - { - public void actionPerformed(ActionEvent evt) - { - allChainsSelected = true; - for (int i = 0; i < chainMenu.getItemCount(); i++) - { - if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem) - { - ((JCheckBoxMenuItem) chainMenu.getItem(i)).setSelected(true); - } - } - showSelectedChains(); - allChainsSelected = false; - } - }); - - chainMenu.add(menuItem); - - for (String chainName : chainNames) - { - menuItem = new JCheckBoxMenuItem(chainName, true); - menuItem.addItemListener(new ItemListener() - { - public void itemStateChanged(ItemEvent evt) - { - if (!allChainsSelected) - { - showSelectedChains(); - } - } - }); - - chainMenu.add(menuItem); - } - } /** * Show only the selected chain(s) in the viewer */ + @Override void showSelectedChains() { List toshow = new ArrayList(); @@ -706,20 +329,30 @@ public class ChimeraViewFrame extends StructureViewerBase * @param closeChimera * if true, close any linked Chimera process; if false, prompt first */ + @Override public void closeViewer(boolean closeChimera) { - if (jmb.isChimeraRunning()) + if (jmb != null && jmb.isChimeraRunning()) { if (!closeChimera) { String prompt = MessageManager.formatMessage( - "label.confirm_close_chimera", new Object[] - { jmb.getViewerTitle("Chimera", false) }); + "label.confirm_close_chimera", + new Object[] { jmb.getViewerTitle(getViewerName(), + false) }); prompt = JvSwingUtils.wrapTooltip(true, prompt); - int confirm = JOptionPane.showConfirmDialog(this, prompt, + int confirm = JvOptionPane.showConfirmDialog(this, prompt, MessageManager.getString("label.close_viewer"), - JOptionPane.YES_NO_OPTION); - closeChimera = confirm == JOptionPane.YES_OPTION; + JvOptionPane.YES_NO_CANCEL_OPTION); + /* + * abort closure if user hits escape or Cancel + */ + if (confirm == JvOptionPane.CANCEL_OPTION + || confirm == JvOptionPane.CLOSED_OPTION) + { + return; + } + closeChimera = confirm == JvOptionPane.YES_OPTION; } jmb.closeViewer(closeChimera); } @@ -730,12 +363,14 @@ public class ChimeraViewFrame extends StructureViewerBase // TODO: check for memory leaks where instance isn't finalised because jmb // holds a reference to the window jmb = null; + dispose(); } /** * Open any newly added PDB structures in Chimera, having first fetched data * from PDB (if not already saved). */ + @Override public void run() { _started = true; @@ -745,6 +380,7 @@ public class ChimeraViewFrame extends StructureViewerBase List filePDB = new ArrayList(); List filePDBpos = new ArrayList(); PDBEntry thePdbEntry = null; + StructureFile pdb = null; try { String[] curfiles = jmb.getPdbFile(); // files currently in viewer @@ -805,12 +441,11 @@ public class ChimeraViewFrame extends StructureViewerBase if (errormsgs.length() > 0) { - JOptionPane.showInternalMessageDialog(Desktop.desktop, MessageManager + JvOptionPane.showInternalMessageDialog(Desktop.desktop, MessageManager .formatMessage("label.pdb_entries_couldnt_be_retrieved", - new Object[] - { errormsgs.toString() }), MessageManager - .getString("label.couldnt_load_file"), - JOptionPane.ERROR_MESSAGE); + new Object[] { errormsgs.toString() }), + MessageManager.getString("label.couldnt_load_file"), + JvOptionPane.ERROR_MESSAGE); } if (files.length() > 0) @@ -834,17 +469,18 @@ public class ChimeraViewFrame extends StructureViewerBase try { int pos = filePDBpos.get(num).intValue(); - long startTime = startProgressBar("Chimera " - + MessageManager.getString("status.opening_file")); + long startTime = startProgressBar(getViewerName() + " " + + MessageManager.getString("status.opening_file_for") + + " " + pe.getId()); jmb.openFile(pe); jmb.addSequence(pos, jmb.getSequence()[pos]); File fl = new File(pe.getFile()); - String protocol = AppletFormatAdapter.URL; + DataSourceType protocol = DataSourceType.URL; try { if (fl.exists()) { - protocol = AppletFormatAdapter.FILE; + protocol = DataSourceType.FILE; } } catch (Throwable e) { @@ -853,10 +489,9 @@ public class ChimeraViewFrame extends StructureViewerBase stopProgressBar("", startTime); } // Explicitly map to the filename used by Chimera ; - jmb.getSsm().setMapping(jmb.getSequence()[pos], - jmb.getChains()[pos], - pe.getFile(), - protocol); + pdb = jmb.getSsm().setMapping(jmb.getSequence()[pos], + jmb.getChains()[pos], pe.getFile(), protocol); + stashFoundChains(pdb, pe.getFile()); } catch (OutOfMemoryError oomerror) { new OOMWarning( @@ -872,6 +507,7 @@ public class ChimeraViewFrame extends StructureViewerBase } } } + jmb.refreshGUI(); jmb.setFinishedInit(true); jmb.setLoadingFromArchive(false); @@ -881,10 +517,11 @@ public class ChimeraViewFrame extends StructureViewerBase jmb.updateColours(ap); } // do superposition if asked to - if (alignAddedStructures) + if (Cache.getDefault("AUTOSUPERIMPOSE", true) && alignAddedStructures) { new Thread(new Runnable() { + @Override public void run() { alignStructs_withAllAlignPanels(); @@ -906,8 +543,20 @@ public class ChimeraViewFrame extends StructureViewerBase * @return * @throws Exception */ + + private void stashFoundChains(StructureFile pdb, String file) + { + for (int i = 0; i < pdb.getChains().size(); i++) + { + String chid = new String(pdb.getId() + ":" + + pdb.getChains().elementAt(i).id); + jmb.getChainNames().add(chid); + jmb.getChainFile().put(chid, file); + } + } private String fetchPdbFile(PDBEntry processingEntry) throws Exception { + // FIXME: this is duplicated code with Jmol frame ? String filePath = null; Pdb pdbclient = new Pdb(); AlignmentI pdbseq = null; @@ -919,8 +568,7 @@ public class ChimeraViewFrame extends StructureViewerBase * Write 'fetching PDB' progress on AlignFrame as we are not yet visible */ String msg = MessageManager.formatMessage("status.fetching_pdb", - new Object[] - { pdbid }); + new Object[] { pdbid }); getAlignmentPanel().alignFrame.setProgressBar(msg, handle); // long hdl = startProgressBar(MessageManager.formatMessage( // "status.fetching_pdb", new Object[] @@ -933,8 +581,7 @@ public class ChimeraViewFrame extends StructureViewerBase new OOMWarning("Retrieving PDB id " + pdbid, oomerror); } finally { - msg = pdbid + " " - + MessageManager.getString("label.state_completed"); + msg = pdbid + " " + MessageManager.getString("label.state_completed"); getAlignmentPanel().alignFrame.setProgressBar(msg, handle); // stopProgressBar(msg, hdl); } @@ -945,7 +592,7 @@ public class ChimeraViewFrame extends StructureViewerBase if (pdbseq != null && pdbseq.getHeight() > 0) { // just use the file name from the first sequence's first PDBEntry - filePath = new File(pdbseq.getSequenceAt(0).getPDBId() + filePath = new File(pdbseq.getSequenceAt(0).getAllPDBEntries() .elementAt(0).getFile()).getAbsolutePath(); processingEntry.setFile(filePath); } @@ -987,76 +634,6 @@ public class ChimeraViewFrame extends StructureViewerBase } @Override - public void pdbFile_actionPerformed(ActionEvent actionEvent) - { - JalviewFileChooser chooser = new JalviewFileChooser( - jalview.bin.Cache.getProperty("LAST_DIRECTORY")); - - chooser.setFileView(new JalviewFileView()); - chooser.setDialogTitle(MessageManager.getString("label.save_pdb_file")); - chooser.setToolTipText(MessageManager.getString("action.save")); - - int value = chooser.showSaveDialog(this); - - if (value == JalviewFileChooser.APPROVE_OPTION) - { - BufferedReader in = null; - try - { - // TODO: cope with multiple PDB files in view - in = new BufferedReader(new FileReader(jmb.getPdbFile()[0])); - File outFile = chooser.getSelectedFile(); - - PrintWriter out = new PrintWriter(new FileOutputStream(outFile)); - String data; - while ((data = in.readLine()) != null) - { - if (!(data.indexOf("
") > -1 || data.indexOf("
") > -1)) - { - out.println(data); - } - } - out.close(); - } catch (Exception ex) - { - ex.printStackTrace(); - } finally - { - if (in != null) - { - try - { - in.close(); - } catch (IOException e) - { - e.printStackTrace(); - } - } - } - } - } - - @Override - public void viewMapping_actionPerformed(ActionEvent actionEvent) - { - jalview.gui.CutAndPasteTransfer cap = new jalview.gui.CutAndPasteTransfer(); - try - { - cap.appendText(jmb.printMappings()); - } catch (OutOfMemoryError e) - { - new OOMWarning( - "composing sequence-structure alignments for display in text box.", - e); - cap.dispose(); - return; - } - jalview.gui.Desktop.addInternalFrame(cap, - MessageManager.getString("label.pdb_sequence_mapping"), 550, - 600); - } - - @Override public void eps_actionPerformed(ActionEvent e) { throw new Error( @@ -1073,273 +650,108 @@ public class ChimeraViewFrame extends StructureViewerBase } @Override - public void viewerColour_actionPerformed(ActionEvent actionEvent) - { - if (viewerColour.isSelected()) - { - // disable automatic sequence colouring. - jmb.setColourBySequence(false); - } - } - - @Override - public void seqColour_actionPerformed(ActionEvent actionEvent) - { - jmb.setColourBySequence(seqColour.isSelected()); - if (_colourwith == null) - { - _colourwith = new Vector(); - } - if (jmb.isColourBySequence()) - { - if (!jmb.isLoadingFromArchive()) - { - if (_colourwith.size() == 0 && getAlignmentPanel() != null) - { - // Make the currently displayed alignment panel the associated view - _colourwith.add(getAlignmentPanel().alignFrame.alignPanel); - } - } - // Set the colour using the current view for the associated alignframe - for (AlignmentPanel ap : _colourwith) - { - jmb.colourBySequence(ap.av.isShowSequenceFeatures(), ap); - } - } - } - - @Override - public void chainColour_actionPerformed(ActionEvent actionEvent) - { - chainColour.setSelected(true); - jmb.colourByChain(); - } - - @Override - public void chargeColour_actionPerformed(ActionEvent actionEvent) - { - chargeColour.setSelected(true); - jmb.colourByCharge(); - } - - @Override - public void zappoColour_actionPerformed(ActionEvent actionEvent) - { - zappoColour.setSelected(true); - jmb.setJalviewColourScheme(new ZappoColourScheme()); - } - - @Override - public void taylorColour_actionPerformed(ActionEvent actionEvent) - { - taylorColour.setSelected(true); - jmb.setJalviewColourScheme(new TaylorColourScheme()); - } - - @Override - public void hydroColour_actionPerformed(ActionEvent actionEvent) - { - hydroColour.setSelected(true); - jmb.setJalviewColourScheme(new HydrophobicColourScheme()); - } - - @Override - public void helixColour_actionPerformed(ActionEvent actionEvent) - { - helixColour.setSelected(true); - jmb.setJalviewColourScheme(new HelixColourScheme()); - } - - @Override - public void strandColour_actionPerformed(ActionEvent actionEvent) - { - strandColour.setSelected(true); - jmb.setJalviewColourScheme(new StrandColourScheme()); - } - - @Override - public void turnColour_actionPerformed(ActionEvent actionEvent) - { - turnColour.setSelected(true); - jmb.setJalviewColourScheme(new TurnColourScheme()); - } - - @Override - public void buriedColour_actionPerformed(ActionEvent actionEvent) - { - buriedColour.setSelected(true); - jmb.setJalviewColourScheme(new BuriedColourScheme()); - } - - @Override - public void purinePyrimidineColour_actionPerformed(ActionEvent actionEvent) - { - setJalviewColourScheme(new PurinePyrimidineColourScheme()); - } - - @Override - public void userColour_actionPerformed(ActionEvent actionEvent) - { - userColour.setSelected(true); - new UserDefinedColours(this, null); - } - - @Override - public void backGround_actionPerformed(ActionEvent actionEvent) - { - java.awt.Color col = JColorChooser - .showDialog(this, MessageManager - .getString("label.select_backgroud_colour"), null); - if (col != null) - { - jmb.setBackgroundColour(col); - } - } - - @Override public void showHelp_actionPerformed(ActionEvent actionEvent) { try { - jalview.util.BrowserLauncher + BrowserLauncher .openURL("https://www.cgl.ucsf.edu/chimera/docs/UsersGuide"); } catch (Exception ex) { } } - public void updateTitleAndMenus() + @Override + public AAStructureBindingModel getBinding() { - if (jmb.fileLoadingError != null && jmb.fileLoadingError.length() > 0) - { - repaint(); - return; - } - setChainMenuItems(jmb.getChainNames()); - - this.setTitle(jmb.getViewerTitle("Chimera", true)); - if (jmb.getPdbFile().length > 1 && jmb.getSequence().length > 1) - { - viewerActionMenu.setVisible(true); - } - if (!jmb.isLoadingFromArchive()) - { - seqColour_actionPerformed(null); - } + return jmb; } - /* - * (non-Javadoc) + /** + * Ask Chimera to save its session to the designated file path, or to a + * temporary file if the path is null. Returns the file path if successful, + * else null. * - * @see - * jalview.jbgui.GStructureViewer#alignStructs_actionPerformed(java.awt.event - * .ActionEvent) + * @param filepath + * @see getStateInfo */ - @Override - protected void alignStructs_actionPerformed(ActionEvent actionEvent) - { - alignStructs_withAllAlignPanels(); - } - - private void alignStructs_withAllAlignPanels() + protected String saveSession(String filepath) { - if (getAlignmentPanel() == null) - { - return; - } - - if (_alignwith.size() == 0) - { - _alignwith.add(getAlignmentPanel()); - } - + String pathUsed = filepath; try { - AlignmentI[] als = new Alignment[_alignwith.size()]; - ColumnSelection[] alc = new ColumnSelection[_alignwith.size()]; - int[] alm = new int[_alignwith.size()]; - int a = 0; - - for (AlignmentPanel ap : _alignwith) + if (pathUsed == null) { - als[a] = ap.av.getAlignment(); - alm[a] = -1; - alc[a++] = ap.av.getColumnSelection(); + File tempFile = File.createTempFile("chimera", ".py"); + tempFile.deleteOnExit(); + pathUsed = tempFile.getPath(); } - jmb.superposeStructures(als, alm, alc); - } catch (Exception e) - { - StringBuffer sp = new StringBuffer(); - for (AlignmentPanel ap : _alignwith) + boolean result = jmb.saveSession(pathUsed); + if (result) { - sp.append("'" + ap.alignFrame.getTitle() + "' "); + this.chimeraSessionFile = pathUsed; + return pathUsed; } - Cache.log.info("Couldn't align structures with the " + sp.toString() - + "associated alignment panels.", e); + } catch (IOException e) + { } - } - - public void setJalviewColourScheme(ColourSchemeI ucs) - { - jmb.setJalviewColourScheme(ucs); - + return null; } /** - * - * @param alignment - * @return first alignment panel displaying given alignment, or the default - * alignment panel + * Returns a string representing the state of the Chimera session. This is + * done by requesting Chimera to save its session to a temporary file, then + * reading the file contents. Returns an empty string on any error. */ - public AlignmentPanel getAlignmentPanelFor(AlignmentI alignment) + @Override + public String getStateInfo() { - for (AlignmentPanel ap : getAllAlignmentPanels()) + String sessionFile = saveSession(null); + if (sessionFile == null) + { + return ""; + } + InputStream is = null; + try + { + File f = new File(sessionFile); + byte[] bytes = new byte[(int) f.length()]; + is = new FileInputStream(sessionFile); + is.read(bytes); + return new String(bytes); + } catch (IOException e) { - if (ap.av.getAlignment() == alignment) + return ""; + } finally + { + if (is != null) { - return ap; + try + { + is.close(); + } catch (IOException e) + { + // ignore + } } } - return getAlignmentPanel(); } @Override - public AAStructureBindingModel getBinding() - { - return jmb; - } - - /** - * Ask Chimera to save its session to the designated file path. Returns true - * if successful, else false. - * - * @param filepath - * @see getStateInfo - */ - public boolean saveSession(String filepath) + protected void fitToWindow_actionPerformed() { - boolean result = jmb.saveSession(filepath); - if (result) - { - this.chimeraSessionFile = filepath; - } - return result; + jmb.focusView(); } - /** - * Returns the file path of the Chimera session file the last time it was - * saved. If it was never saved, returns an empty string. There is no - * guarantee that the Chimera session has not changed since it was saved. - */ @Override - public String getStateInfo() + public ViewerType getViewerType() { - return this.chimeraSessionFile == null ? "" : chimeraSessionFile; + return ViewerType.CHIMERA; } @Override - protected void fitToWindow_actionPerformed() + protected String getViewerName() { - jmb.focusView(); + return "Chimera"; } }