X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FAppJmol.java;h=16d0dd7d7e6e88ec1383ee091688ce894e9bdbeb;hb=cb8e52fbbc5f725e3f7f48c672cdddb0690bd978;hp=87fb1b482103a1af19c1ce393f0dfe06a68cbb28;hpb=2107a91322a1988a8a6b724c74f9d244795341e3;p=jalview.git diff --git a/src/jalview/gui/AppJmol.java b/src/jalview/gui/AppJmol.java index 87fb1b4..16d0dd7 100644 --- a/src/jalview/gui/AppJmol.java +++ b/src/jalview/gui/AppJmol.java @@ -20,15 +20,16 @@ */ package jalview.gui; +import java.util.Locale; + 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.io.File; -import java.util.ArrayList; import java.util.List; +import java.util.Map; import javax.swing.JPanel; import javax.swing.JSplitPane; @@ -37,10 +38,12 @@ import javax.swing.event.InternalFrameAdapter; import javax.swing.event.InternalFrameEvent; import jalview.api.AlignmentViewPanel; -import jalview.bin.Cache; -import jalview.datamodel.AlignmentI; +import jalview.bin.Console; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; +import jalview.datamodel.StructureViewerModel; +import jalview.datamodel.StructureViewerModel.StructureData; +import jalview.fts.service.alphafold.AlphafoldRestClient; import jalview.gui.ImageExporter.ImageWriterI; import jalview.gui.StructureViewer.ViewerType; import jalview.structure.StructureCommand; @@ -49,7 +52,6 @@ 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 { @@ -87,48 +89,55 @@ public class AppJmol extends StructureViewerBase * @param bounds * @param viewid */ - public AppJmol(String[] files, String[] ids, SequenceI[][] seqs, - AlignmentPanel ap, boolean usetoColour, boolean useToAlign, - boolean leaveColouringToJmol, String loadStatus, Rectangle bounds, - String viewid) + public AppJmol(StructureViewerModel viewerModel, AlignmentPanel ap, + String sessionFile, String viewid) { - PDBEntry[] pdbentrys = new PDBEntry[files.length]; - for (int i = 0; i < pdbentrys.length; i++) + Map pdbData = viewerModel.getFileData(); + PDBEntry[] pdbentrys = new PDBEntry[pdbData.size()]; + SequenceI[][] seqs = new SequenceI[pdbData.size()][]; + int i = 0; + for (StructureData data : pdbData.values()) { - // PDBEntry pdbentry = new PDBEntry(files[i], ids[i]); - PDBEntry pdbentry = new PDBEntry(ids[i], null, PDBEntry.Type.PDB, - files[i]); + PDBEntry pdbentry = new PDBEntry(data.getPdbId(), null, + PDBEntry.Type.PDB, data.getFilePath()); pdbentrys[i] = pdbentry; + List sequencesForPdb = data.getSeqList(); + seqs[i] = sequencesForPdb + .toArray(new SequenceI[sequencesForPdb.size()]); + i++; } - // / TODO: check if protocol is needed to be set, and if chains are + + // TODO: check if protocol is needed to be set, and if chains are // autodiscovered. jmb = new AppJmolBinding(this, ap.getStructureSelectionManager(), pdbentrys, seqs, null); jmb.setLoadingFromArchive(true); addAlignmentPanel(ap); - if (useToAlign) + if (viewerModel.isAlignWithPanel()) { useAlignmentPanelForSuperposition(ap); } initMenus(); - if (leaveColouringToJmol || !usetoColour) + boolean useToColour = viewerModel.isColourWithAlignPanel(); + boolean leaveColouringToJmol = viewerModel.isColourByViewer(); + if (leaveColouringToJmol || !useToColour) { jmb.setColourBySequence(false); seqColour.setSelected(false); viewerColour.setSelected(true); } - else if (usetoColour) + else if (useToColour) { useAlignmentPanelForColourbyseq(ap); jmb.setColourBySequence(true); seqColour.setSelected(true); viewerColour.setSelected(false); } - this.setBounds(bounds); + + this.setBounds(viewerModel.getX(), viewerModel.getY(), + viewerModel.getWidth(), viewerModel.getHeight()); setViewId(viewid); - // jalview.gui.Desktop.addInternalFrame(this, "Loading File", - // bounds.width,bounds.height); this.addInternalFrameListener(new InternalFrameAdapter() { @@ -139,7 +148,10 @@ public class AppJmol extends StructureViewerBase closeViewer(false); } }); - initJmol(loadStatus); // pdbentry, seq, JBPCHECK! + StringBuilder cmd = new StringBuilder(); + cmd.append("load FILES ").append(QUOTE) + .append(Platform.escapeBackslashes(sessionFile)).append(QUOTE); + initJmol(cmd.toString()); } @Override @@ -259,7 +271,7 @@ public class AppJmol extends StructureViewerBase _started = true; try { - List files = fetchPdbFiles(); + List files = jmb.fetchPdbFiles(this); if (files.size() > 0) { showFilesInViewer(files); @@ -297,10 +309,10 @@ public class AppJmol extends StructureViewerBase } catch (OutOfMemoryError oomerror) { new OOMWarning("When trying to open the Jmol viewer!", oomerror); - Cache.log.debug("File locations are " + filesString); + Console.debug("File locations are " + filesString); } catch (Exception ex) { - Cache.log.error("Couldn't open Jmol viewer!", ex); + Console.error("Couldn't open Jmol viewer!", ex); ex.printStackTrace(); return; } @@ -321,11 +333,11 @@ public class AppJmol extends StructureViewerBase { new OOMWarning("When trying to add structures to the Jmol viewer!", oomerror); - Cache.log.debug("File locations are " + filesString); + Console.debug("File locations are " + filesString); return; } catch (Exception ex) { - Cache.log.error("Couldn't add files to Jmol viewer!", ex); + Console.error("Couldn't add files to Jmol viewer!", ex); ex.printStackTrace(); return; } @@ -341,7 +353,7 @@ public class AppJmol extends StructureViewerBase { try { - Cache.log.debug("Waiting around for jmb notify."); + Console.debug("Waiting around for jmb notify."); waitTotal += waitFor; // Thread.sleep() throws an exception in JS @@ -405,110 +417,6 @@ public class AppJmol extends StructureViewerBase } /** - * 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). - * - * @return - */ - List fetchPdbFiles() - { - // todo - record which pdbids were successfully imported. - StringBuilder errormsgs = new StringBuilder(); - - List files = new ArrayList<>(); - String pdbid = ""; - try - { - String[] filesInViewer = jmb.getStructureFiles(); - // TODO: replace with reference fetching/transfer code (validate PDBentry - // as a DBRef?) - Pdb pdbclient = new Pdb(); - for (int pi = 0; pi < jmb.getPdbCount(); pi++) - { - 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(); - setProgressMessage(MessageManager - .formatMessage("status.fetching_pdb", new String[] - { pdbid }), hdl); - try - { - pdbseq = pdbclient.getSequenceRecords(pdbid); - } catch (OutOfMemoryError oomerror) - { - new OOMWarning("Retrieving PDB id " + pdbid, oomerror); - } catch (Exception ex) - { - ex.printStackTrace(); - errormsgs.append("'").append(pdbid).append("'"); - } finally - { - setProgressMessage( - MessageManager.getString("label.state_completed"), hdl); - } - if (pdbseq != null) - { - // just transfer the file name from the first sequence's first - // PDBEntry - file = new File(pdbseq.getSequenceAt(0).getAllPDBEntries() - .elementAt(0).getFile()).getAbsolutePath(); - jmb.getPdbEntry(pi).setFile(file); - files.add(file); - } - else - { - errormsgs.append("'").append(pdbid).append("' "); - } - } - else - { - if (filesInViewer != null && filesInViewer.length > 0) - { - addingStructures = 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; - } - - /** * 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) @@ -528,7 +436,7 @@ public class AppJmol extends StructureViewerBase jmb.jmolViewer.renderScreenImage(g, width, height); } }; - String view = MessageManager.getString("action.view").toLowerCase(); + String view = MessageManager.getString("action.view").toLowerCase(Locale.ROOT); ImageExporter exporter = new ImageExporter(writer, getProgressIndicator(), type, getTitle()); exporter.doExport(null, this, width, height, view);