/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty * of MERCHANTABILITY or FITNESS FOR A PARTICULAR * PURPOSE. See the GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.gui; import java.awt.Container; import java.io.File; import java.util.ArrayList; import java.util.List; import java.util.Map; import javax.swing.JComponent; import org.jmol.api.JmolAppConsoleInterface; import org.openscience.jmol.app.jmolpanel.console.AppConsole; import jalview.api.AlignmentViewPanel; import jalview.api.structures.JalviewStructureDisplayI; import jalview.bin.Cache; import jalview.datamodel.AlignmentI; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.ext.jmol.JalviewJmolBinding; import jalview.io.DataSourceType; import jalview.structure.StructureSelectionManager; import jalview.util.MessageManager; import jalview.util.Platform; import jalview.ws.dbsources.EBIAlfaFold; import jalview.ws.dbsources.Pdb; import jalview.ws.utils.UrlDownloadClient; import javajs.util.BS; public class AppJmolBinding extends JalviewJmolBinding { public AppJmolBinding(AppJmol appJmol, StructureSelectionManager sSm, PDBEntry[] pdbentry, SequenceI[][] sequenceIs, DataSourceType protocol) { super(sSm, pdbentry, sequenceIs, protocol); setViewer(appJmol); } @Override public SequenceRenderer getSequenceRenderer(AlignmentViewPanel alignment) { return new SequenceRenderer(((AlignmentPanel) alignment).av); } @Override public void sendConsoleEcho(String strEcho) { if (console != null) { console.sendConsoleEcho(strEcho); } } @Override public void sendConsoleMessage(String strStatus) { if (console != null && strStatus != null) // && !strStatus.equals("Script completed")) // should we squash the script completed string ? { console.sendConsoleMessage(strStatus); } } @Override public void showUrl(String url, String target) { try { jalview.util.BrowserLauncher.openURL(url); } catch (Exception e) { Cache.log.error("Failed to launch Jmol-associated url " + url, e); // TODO: 2.6 : warn user if browser was not configured. } } @Override public void refreshGUI() { if (getMappedStructureCount() == 0) { // too soon! return; } // appJmolWindow.repaint(); javax.swing.SwingUtilities.invokeLater(new Runnable() { @Override public void run() { JalviewStructureDisplayI theViewer = getViewer(); // invokes colourbySequence() via seqColour_ActionPerformed() theViewer.updateTitleAndMenus(); ((JComponent) theViewer).revalidate(); } }); } @Override public void notifyScriptTermination(String strStatus, int msWalltime) { // todo - script termination doesn't happen ? // if (console != null) // console.notifyScriptTermination(strStatus, // msWalltime); } @Override public void showUrl(String url) { showUrl(url, "jmol"); } public void newJmolPopup(String menuName) { // jmolpopup = new JmolAwtPopup(); // jmolpopup.jpiInitialize((viewer), menuName); } @Override public void selectionChanged(BS arg0) { } @Override public void showConsole(boolean b) { getViewer().showConsole(b); } @Override protected JmolAppConsoleInterface createJmolConsole( Container consolePanel, String buttonsToShow) { jmolViewer.setJmolCallbackListener(this); // BH comment: can't do this yet [for JS only, or generally?] return Platform.isJS() ? null : new AppConsole(jmolViewer, consolePanel, buttonsToShow); } @Override protected void releaseUIResources() { setViewer(null); closeConsole(); } @Override public void releaseReferences(Object svl) { if (svl instanceof SeqPanel) { getViewer().removeAlignmentPanel(((SeqPanel) svl).ap); } } @Override public Map getJSpecViewProperty(String arg0) { // TODO Auto-generated method stub return null; } @SuppressWarnings("unused") public void cacheFiles(List files) { if (files == null) { return; } for (File f : files) { Platform.cacheFileData(f); } } /** * Retrieves and saves as file any modelled PDB entries for which we do not * already have a file saved. Returns a list of absolute paths to structure * files which were either retrieved, or already stored but not modelled in * the structure viewer (i.e. files to add to the viewer display). * * Currently only used by Jmol - similar but different code used for Chimera/X * and Pymol so still need to refactor * * @param structureViewer * UI proxy for the structure viewer * @return list of absolute paths to structures retrieved that need to be * added to the display */ public List fetchPdbFiles(StructureViewerBase structureViewer) { // todo - record which pdbids were successfully imported. StringBuilder errormsgs = new StringBuilder(); List files = new ArrayList<>(); String pdbid = ""; try { String[] filesInViewer = getStructureFiles(); // TODO: replace with reference fetching/transfer code (validate PDBentry // as a DBRef?) for (int pi = 0; pi < getPdbCount(); pi++) { PDBEntry strucEntry = getPdbEntry(pi); String file = strucEntry.getFile(); if (file == null) { pdbid = strucEntry.getId(); try{ file = structureViewer.fetchPdbFile(strucEntry); } catch (OutOfMemoryError oomerror) { new OOMWarning("Retrieving PDB id " + pdbid, oomerror); } catch (Exception ex) { ex.printStackTrace(); errormsgs.append("'").append(pdbid).append("'"); } if (file!=null) { // success files.add(file); } else { errormsgs.append("'").append(pdbid).append("' "); } } else { if (filesInViewer != null && filesInViewer.length > 0) { structureViewer.setAddingStructures(true); // already files loaded. for (int c = 0; c < filesInViewer.length; c++) { if (Platform.pathEquals(filesInViewer[c], file)) { file = null; break; } } } if (file != null) { files.add(file); } } } } catch (OutOfMemoryError oomerror) { new OOMWarning("Retrieving PDB files: " + pdbid, oomerror); } catch (Exception ex) { ex.printStackTrace(); errormsgs.append("When retrieving pdbfiles : current was: '") .append(pdbid).append("'"); } if (errormsgs.length() > 0) { JvOptionPane.showInternalMessageDialog(Desktop.desktop, MessageManager.formatMessage( "label.pdb_entries_couldnt_be_retrieved", new String[] { errormsgs.toString() }), MessageManager.getString("label.couldnt_load_file"), JvOptionPane.ERROR_MESSAGE); } return files; } }