X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FAppJmol.java;h=ffc80534aad61e1c6804c54e9f7e66e6cad08754;hb=4a67afac64ed574a5b79c7d33c97e58e26f60f30;hp=aff40e4e9983d2b2e057034f8e56a7e6b513ae40;hpb=75db7abd6c89a9465861dc7604faca4893c52101;p=jalview.git diff --git a/src/jalview/gui/AppJmol.java b/src/jalview/gui/AppJmol.java index aff40e4..ffc8053 100644 --- a/src/jalview/gui/AppJmol.java +++ b/src/jalview/gui/AppJmol.java @@ -20,37 +20,37 @@ */ package jalview.gui; -import jalview.bin.Cache; -import jalview.datamodel.AlignmentI; -import jalview.datamodel.PDBEntry; -import jalview.datamodel.SequenceI; -import jalview.gui.StructureViewer.ViewerType; -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.BorderLayout; import java.awt.Color; import java.awt.Dimension; import java.awt.Font; import java.awt.Graphics; import java.awt.Rectangle; -import java.awt.event.ActionEvent; import java.io.File; import java.util.ArrayList; import java.util.List; -import java.util.Vector; -import javax.swing.JCheckBoxMenuItem; -import javax.swing.JInternalFrame; import javax.swing.JPanel; import javax.swing.JSplitPane; import javax.swing.SwingUtilities; import javax.swing.event.InternalFrameAdapter; import javax.swing.event.InternalFrameEvent; +import jalview.api.AlignmentViewPanel; +import jalview.bin.Cache; +import jalview.datamodel.AlignmentI; +import jalview.datamodel.PDBEntry; +import jalview.datamodel.SequenceI; +import jalview.gui.ImageExporter.ImageWriterI; +import jalview.gui.StructureViewer.ViewerType; +import jalview.structure.StructureCommand; +import jalview.structures.models.AAStructureBindingModel; +import jalview.util.BrowserLauncher; +import jalview.util.ImageMaker; +import jalview.util.MessageManager; +import jalview.util.Platform; +import jalview.ws.dbsources.Pdb; + public class AppJmol extends StructureViewerBase { // ms to wait for Jmol to load files @@ -58,7 +58,7 @@ public class AppJmol extends StructureViewerBase private static final String SPACE = " "; - private static final String BACKSLASH = "\""; + private static final String QUOTE = "\""; AppJmolBinding jmb; @@ -155,15 +155,8 @@ public class AppJmol extends StructureViewerBase .getString("label.let_jmol_manage_structure_colours")); } - IProgressIndicator progressBar = null; - - @Override - protected IProgressIndicator getIProgressIndicator() - { - return progressBar; - } /** - * add a single PDB structure to a new or existing Jmol view + * display a single PDB structure in a new Jmol view * * @param pdbentry * @param seq @@ -173,47 +166,29 @@ public class AppJmol extends StructureViewerBase public AppJmol(PDBEntry pdbentry, SequenceI[] seq, String[] chains, final AlignmentPanel ap) { - progressBar = ap.alignFrame; - String pdbId = pdbentry.getId(); - - /* - * If the PDB file is already loaded, the user may just choose to add to an - * existing viewer (or cancel) - */ - if (addAlreadyLoadedFile(seq, chains, ap, pdbId)) - { - return; - } + setProgressIndicator(ap.alignFrame); - /* - * Check if there are other Jmol views involving this alignment and prompt - * user about adding this molecule to one of them - */ - if (addToExistingViewer(pdbentry, seq, chains, ap, pdbId)) - { - return; - } - - /* - * If the options above are declined or do not apply, open a new viewer - */ - openNewJmol(ap, new PDBEntry[] { pdbentry }, new SequenceI[][] { seq }); + openNewJmol(ap, alignAddedStructures, new PDBEntry[] { pdbentry }, + new SequenceI[][] + { seq }); } - private void openNewJmol(AlignmentPanel ap, PDBEntry[] pdbentrys, + private void openNewJmol(AlignmentPanel ap, boolean alignAdded, + PDBEntry[] pdbentrys, SequenceI[][] seqs) { - progressBar = ap.alignFrame; + setProgressIndicator(ap.alignFrame); jmb = new AppJmolBinding(this, ap.getStructureSelectionManager(), pdbentrys, seqs, null); addAlignmentPanel(ap); useAlignmentPanelForColourbyseq(ap); + alignAddedStructures = alignAdded; if (pdbentrys.length > 1) { - alignAddedStructures = true; useAlignmentPanelForSuperposition(ap); } + jmb.setColourBySequence(true); setSize(400, 400); // probably should be a configurable/dynamic default here initMenus(); @@ -234,41 +209,21 @@ public class AppJmol extends StructureViewerBase } /** - * create a new Jmol containing several structures superimposed using the - * given alignPanel. + * create a new Jmol containing several structures optionally superimposed + * using the given alignPanel. * * @param ap + * @param alignAdded + * - true to superimpose * @param pe * @param seqs */ - public AppJmol(AlignmentPanel ap, PDBEntry[] pe, SequenceI[][] seqs) + public AppJmol(AlignmentPanel ap, boolean alignAdded, PDBEntry[] pe, + SequenceI[][] seqs) { - openNewJmol(ap, pe, seqs); + openNewJmol(ap, alignAdded, pe, seqs); } - /** - * Returns a list of any Jmol viewers. The list is restricted to those linked - * to the given alignment panel if it is not null. - */ - @Override - protected List getViewersFor(AlignmentPanel apanel) - { - List result = new ArrayList(); - JInternalFrame[] frames = Desktop.instance.getAllFrames(); - - for (JInternalFrame frame : frames) - { - if (frame instanceof AppJmol) - { - if (apanel == null - || ((StructureViewerBase) frame).isLinkedWith(apanel)) - { - result.add((StructureViewerBase) frame); - } - } - } - return result; - } void initJmol(String command) { @@ -295,48 +250,11 @@ public class AppJmol extends StructureViewerBase { command = ""; } - jmb.evalStateCommand(command); - jmb.evalStateCommand("set hoverDelay=0.1"); + jmb.executeCommand(new StructureCommand(command), false); + jmb.executeCommand(new StructureCommand("set hoverDelay=0.1"), false); jmb.setFinishedInit(true); } - boolean allChainsSelected = false; - - @Override - void showSelectedChains() - { - Vector toshow = new Vector(); - for (int i = 0; i < chainMenu.getItemCount(); i++) - { - if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem) - { - JCheckBoxMenuItem item = (JCheckBoxMenuItem) chainMenu.getItem(i); - if (item.isSelected()) - { - toshow.addElement(item.getText()); - } - } - } - jmb.centerViewer(toshow); - } - - @Override - public void closeViewer(boolean closeExternalViewer) - { - // Jmol does not use an external viewer - if (jmb != null) - { - jmb.closeViewer(); - } - setAlignmentPanel(null); - _aps.clear(); - _alignwith.clear(); - _colourwith.clear(); - // TODO: check for memory leaks where instance isn't finalised because jmb - // holds a reference to the window - jmb = null; - } - @Override public void run() { @@ -368,8 +286,8 @@ public class AppJmol extends StructureViewerBase StringBuilder fileList = new StringBuilder(); for (String s : files) { - fileList.append(SPACE).append(BACKSLASH) - .append(Platform.escapeString(s)).append(BACKSLASH); + fileList.append(SPACE).append(QUOTE) + .append(Platform.escapeBackslashes(s)).append(QUOTE); } String filesString = fileList.toString(); @@ -385,6 +303,8 @@ public class AppJmol extends StructureViewerBase } catch (Exception ex) { Cache.log.error("Couldn't open Jmol viewer!", ex); + ex.printStackTrace(); + return; } } else @@ -393,20 +313,23 @@ public class AppJmol extends StructureViewerBase cmd.append("loadingJalviewdata=true\nload APPEND "); cmd.append(filesString); cmd.append("\nloadingJalviewdata=null"); - final String command = cmd.toString(); + final StructureCommand command = new StructureCommand(cmd.toString()); lastnotify = jmb.getLoadNotifiesHandled(); try { - jmb.evalStateCommand(command); + jmb.executeCommand(command, false); } catch (OutOfMemoryError oomerror) { new OOMWarning("When trying to add structures to the Jmol viewer!", oomerror); Cache.log.debug("File locations are " + filesString); + return; } catch (Exception ex) { Cache.log.error("Couldn't add files to Jmol viewer!", ex); + ex.printStackTrace(); + return; } } @@ -421,8 +344,10 @@ public class AppJmol extends StructureViewerBase try { Cache.log.debug("Waiting around for jmb notify."); - Thread.sleep(waitFor); waitTotal += waitFor; + + // Thread.sleep() throws an exception in JS + Thread.sleep(waitFor); } catch (Exception e) { } @@ -439,12 +364,12 @@ public class AppJmol extends StructureViewerBase } // refresh the sequence colours for the new structure(s) - for (AlignmentPanel ap : _colourwith) + for (AlignmentViewPanel ap : _colourwith) { jmb.updateColours(ap); } // do superposition if asked to - if (Cache.getDefault("AUTOSUPERIMPOSE", true) && alignAddedStructures) + if (alignAddedStructures) { alignAddedStructures(); } @@ -461,7 +386,7 @@ public class AppJmol extends StructureViewerBase @Override public void run() { - if (jmb.viewer.isScriptExecuting()) + if (jmb.jmolViewer.isScriptExecuting()) { SwingUtilities.invokeLater(this); try @@ -474,11 +399,11 @@ public class AppJmol extends StructureViewerBase } else { - alignStructs_withAllAlignPanels(); + alignStructsWithAllAlignPanels(); } } }); - alignAddedStructures = false; + } /** @@ -494,7 +419,7 @@ public class AppJmol extends StructureViewerBase // todo - record which pdbids were successfully imported. StringBuilder errormsgs = new StringBuilder(); - List files = new ArrayList(); + List files = new ArrayList<>(); String pdbid = ""; try { @@ -507,16 +432,14 @@ public class AppJmol extends StructureViewerBase String file = jmb.getPdbEntry(pi).getFile(); if (file == null) { + // todo: extract block as method and pull up (also ChimeraViewFrame) // retrieve the pdb and store it locally AlignmentI pdbseq = null; pdbid = jmb.getPdbEntry(pi).getId(); long hdl = pdbid.hashCode() - System.currentTimeMillis(); - if (progressBar != null) - { - progressBar.setProgressBar(MessageManager - .formatMessage("status.fetching_pdb", new String[] - { pdbid }), hdl); - } + setProgressMessage(MessageManager + .formatMessage("status.fetching_pdb", new String[] + { pdbid }), hdl); try { pdbseq = pdbclient.getSequenceRecords(pdbid); @@ -529,12 +452,8 @@ public class AppJmol extends StructureViewerBase errormsgs.append("'").append(pdbid).append("'"); } finally { - if (progressBar != null) - { - progressBar.setProgressBar( - MessageManager.getString("label.state_completed"), - hdl); - } + setProgressMessage( + MessageManager.getString("label.state_completed"), hdl); } if (pdbseq != null) { @@ -557,7 +476,7 @@ public class AppJmol extends StructureViewerBase addingStructures = true; // already files loaded. for (int c = 0; c < filesInViewer.length; c++) { - if (filesInViewer[c].equals(file)) + if (Platform.pathEquals(filesInViewer[c], file)) { file = null; break; @@ -591,67 +510,48 @@ public class AppJmol extends StructureViewerBase return files; } + /** + * Outputs the Jmol viewer image as an image file, after prompting the user to + * choose a file and (for EPS) choice of Text or Lineart character rendering + * (unless a preference for this is set) + * + * @param type + */ @Override - public void eps_actionPerformed(ActionEvent e) - { - makePDBImage(jalview.util.ImageMaker.TYPE.EPS); - } - - @Override - public void png_actionPerformed(ActionEvent e) - { - makePDBImage(jalview.util.ImageMaker.TYPE.PNG); - } - - void makePDBImage(jalview.util.ImageMaker.TYPE type) + public void makePDBImage(ImageMaker.TYPE type) { int width = getWidth(); int height = getHeight(); - - jalview.util.ImageMaker im; - - if (type == jalview.util.ImageMaker.TYPE.PNG) + ImageWriterI writer = new ImageWriterI() { - im = new jalview.util.ImageMaker(this, - jalview.util.ImageMaker.TYPE.PNG, "Make PNG image from view", - width, height, null, null, null, 0, false); - } - else if (type == jalview.util.ImageMaker.TYPE.EPS) - { - im = new jalview.util.ImageMaker(this, - jalview.util.ImageMaker.TYPE.EPS, "Make EPS file from view", - width, height, null, this.getTitle(), null, 0, false); - } - else - { - - im = new jalview.util.ImageMaker(this, - jalview.util.ImageMaker.TYPE.SVG, "Make SVG file from PCA", - width, height, null, this.getTitle(), null, 0, false); - } - - if (im.getGraphics() != null) - { - jmb.viewer.renderScreenImage(im.getGraphics(), width, height); - im.writeImage(); - } + @Override + public void exportImage(Graphics g) throws Exception + { + jmb.jmolViewer.renderScreenImage(g, width, height); + } + }; + String view = MessageManager.getString("action.view").toLowerCase(); + ImageExporter exporter = new ImageExporter(writer, + getProgressIndicator(), type, getTitle()); + exporter.doExport(null, this, width, height, view); } @Override - public void showHelp_actionPerformed(ActionEvent actionEvent) + public void showHelp_actionPerformed() { try { - BrowserLauncher - .openURL("http://jmol.sourceforge.net/docs/JmolUserGuide/"); + BrowserLauncher // BH 2018 + .openURL("http://wiki.jmol.org");//http://jmol.sourceforge.net/docs/JmolUserGuide/"); } catch (Exception ex) { + System.err.println("Show Jmol help failed with: " + ex.getMessage()); } } + @Override public void showConsole(boolean showConsole) { - if (showConsole) { if (splitPane == null) @@ -717,7 +617,7 @@ public class AppJmol extends StructureViewerBase } } } - else if (jmb == null || jmb.viewer == null || !jmb.isFinishedInit()) + else if (jmb == null || jmb.jmolViewer == null || !jmb.isFinishedInit()) { g.setColor(Color.black); g.fillRect(0, 0, currentSize.width, currentSize.height); @@ -728,7 +628,7 @@ public class AppJmol extends StructureViewerBase } else { - jmb.viewer.renderScreenImage(g, currentSize.width, + jmb.jmolViewer.renderScreenImage(g, currentSize.width, currentSize.height); } } @@ -741,12 +641,6 @@ public class AppJmol extends StructureViewerBase } @Override - public String getStateInfo() - { - return jmb == null ? null : jmb.viewer.getStateInfo(); - } - - @Override public ViewerType getViewerType() { return ViewerType.JMOL;