Merge branch 'features/r2_11_2_alphafold/JAL-629' into features/JAL-3858_PAEsInProjects
[jalview.git] / src / jalview / gui / StructureChooser.java
index f774c07..9f259bb 100644 (file)
 
 package jalview.gui;
 
-import java.util.Locale;
-
+import java.awt.event.ActionEvent;
+import java.awt.event.ActionListener;
 import java.awt.event.ItemEvent;
+import java.io.File;
 import java.util.ArrayList;
 import java.util.Collection;
 import java.util.HashSet;
 import java.util.LinkedHashSet;
 import java.util.List;
+import java.util.Locale;
+import java.util.concurrent.Callable;
 import java.util.concurrent.Executors;
 
 import javax.swing.JCheckBox;
 import javax.swing.JComboBox;
 import javax.swing.JLabel;
+import javax.swing.JMenuItem;
+import javax.swing.JPopupMenu;
 import javax.swing.JTable;
 import javax.swing.SwingUtilities;
 import javax.swing.table.AbstractTableModel;
 
 import jalview.api.structures.JalviewStructureDisplayI;
 import jalview.bin.Cache;
+import jalview.bin.Console;
 import jalview.bin.Jalview;
 import jalview.datamodel.PDBEntry;
 import jalview.datamodel.SequenceI;
@@ -50,6 +56,7 @@ import jalview.fts.core.FTSDataColumnPreferences;
 import jalview.fts.core.FTSRestRequest;
 import jalview.fts.core.FTSRestResponse;
 import jalview.fts.service.pdb.PDBFTSRestClient;
+import jalview.fts.service.threedbeacons.TDB_FTSData;
 import jalview.gui.structurechooser.PDBStructureChooserQuerySource;
 import jalview.gui.structurechooser.StructureChooserQuerySource;
 import jalview.gui.structurechooser.ThreeDBStructureChooserQuerySource;
@@ -59,6 +66,7 @@ import jalview.jbgui.GStructureChooser;
 import jalview.structure.StructureMapping;
 import jalview.structure.StructureSelectionManager;
 import jalview.util.MessageManager;
+import jalview.util.Platform;
 import jalview.ws.DBRefFetcher;
 import jalview.ws.DBRefFetcher.FetchFinishedListenerI;
 import jalview.ws.seqfetcher.DbSourceProxy;
@@ -77,9 +85,9 @@ public class StructureChooser extends GStructureChooser
   private static final String AUTOSUPERIMPOSE = "AUTOSUPERIMPOSE";
 
   /**
-   * transient combo box choice for initiating 3db fetch
+   * warn user if need to fetch more than this many uniprot records at once
    */
-  private static final String VIEWS_QUERYING_TDB = "QUERY_3DB";
+  private static final int THRESHOLD_WARN_UNIPROT_FETCH_NEEDED = 20;
 
   private SequenceI selectedSequence;
 
@@ -111,11 +119,19 @@ public class StructureChooser extends GStructureChooser
 
   List<SequenceI> seqsWithoutSourceDBRef = null;
 
+  private boolean noChooserGUI = false;
+
   private static StructureViewer lastTargetedView = null;
 
   public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq,
           AlignmentPanel ap)
   {
+    this(selectedSeqs, selectedSeq, ap, false);
+  }
+
+  public StructureChooser(SequenceI[] selectedSeqs, SequenceI selectedSeq,
+          AlignmentPanel ap, boolean noChooserGUI)
+  {
     // which FTS engine to use
     data = StructureChooserQuerySource.getQuerySourceFor(selectedSeqs);
     initDialog();
@@ -124,6 +140,7 @@ public class StructureChooser extends GStructureChooser
     this.selectedSequence = selectedSeq;
     this.selectedSequences = selectedSeqs;
     this.progressIndicator = (ap == null) ? null : ap.alignFrame;
+    this.noChooserGUI = noChooserGUI;
     init();
 
   }
@@ -168,7 +185,8 @@ public class StructureChooser extends GStructureChooser
       canQueryTDB = true;
       if (needCanonical)
       {
-        notQueriedTDBYet = false;
+        // triggers display of the 'Query TDB' button
+        notQueriedTDBYet = true;
       }
     }
   };
@@ -184,9 +202,19 @@ public class StructureChooser extends GStructureChooser
     }
 
     chk_superpose.setSelected(Cache.getDefault(AUTOSUPERIMPOSE, true));
+    btn_queryTDB.addActionListener(new ActionListener()
+    {
+
+      @Override
+      public void actionPerformed(ActionEvent e)
+      {
+        promptForTDBFetch(false);
+      }
+    });
 
     Executors.defaultThreadFactory().newThread(new Runnable()
     {
+      @Override
       public void run()
       {
         populateSeqsWithoutSourceDBRef();
@@ -228,11 +256,17 @@ public class StructureChooser extends GStructureChooser
     populateFilterComboBox(isStructuresDiscovered(), cachedPDBExists);
     discoverStructureViews();
     updateProgressIndicator(null, startTime);
-    mainFrame.setVisible(true);
+    mainFrame.setVisible(noChooserGUI);
     updateCurrentView();
   }
 
-  private void promptForTDBFetch()
+  /**
+   * raises dialog for Uniprot fetch followed by 3D beacons search
+   * 
+   * @param ignoreGui
+   *          - when true, don't ask, just fetch
+   */
+  public void promptForTDBFetch(boolean ignoreGui)
   {
     final long progressId = System.currentTimeMillis();
 
@@ -242,25 +276,46 @@ public class StructureChooser extends GStructureChooser
       @Override
       public void run()
       {
-        progressBar.setProgressBar("status.searching_3d_beacons", progressId);
+        mainFrame.setEnabled(false);
+        cmb_filterOption.setEnabled(false);
+        progressBar.setProgressBar(
+                MessageManager.getString("status.searching_3d_beacons"),
+                progressId);
+        btn_queryTDB.setEnabled(false);
         // TODO: warn if no accessions discovered
         populateSeqsWithoutSourceDBRef();
         // redo initial discovery - this time with 3d beacons
         // Executors.
-        previousWantedFields=null;
+        previousWantedFields = null;
+        lastSelected = (FilterOption) cmb_filterOption.getSelectedItem();
+        cmb_filterOption.setSelectedItem(null);
+        cachedPDBExists = false; // reset to initial
         initialStructureDiscovery();
         if (!isStructuresDiscovered())
         {
-          progressBar.setProgressBar("status.no_structures_discovered_from_3d_beacons", progressId);
-        } else {
+          progressBar.setProgressBar(MessageManager.getString(
+                  "status.no_structures_discovered_from_3d_beacons"),
+                  progressId);
+          btn_queryTDB.setToolTipText(MessageManager.getString(
+                  "status.no_structures_discovered_from_3d_beacons"));
+          btn_queryTDB.setEnabled(false);
+          pnl_queryTDB.setVisible(false);
+        }
+        else
+        {
+          cmb_filterOption.setSelectedIndex(0); // select 'best'
+          btn_queryTDB.setVisible(false);
+          pnl_queryTDB.setVisible(false);
           progressBar.setProgressBar(null, progressId);
         }
+        mainFrame.setEnabled(true);
+        cmb_filterOption.setEnabled(true);
       }
     };
 
     final FetchFinishedListenerI afterDbRefFetch = new FetchFinishedListenerI()
     {
-      
+
       @Override
       public void finished()
       {
@@ -268,46 +323,55 @@ public class StructureChooser extends GStructureChooser
         notQueriedTDBYet = false;
         // new thread to discover structures - via 3d beacons
         Executors.defaultThreadFactory().newThread(strucDiscovery).start();
-        
+
       }
     };
-    
+
     // fetch db refs if OK pressed
-    final Runnable discoverCanonicalDBrefs = new Runnable() 
-    {
-      @Override
-      public void run()
+    final Callable discoverCanonicalDBrefs = () -> {
+      btn_queryTDB.setEnabled(false);
+      populateSeqsWithoutSourceDBRef();
+
+      final int y = seqsWithoutSourceDBRef.size();
+      if (y > 0)
       {
-        populateSeqsWithoutSourceDBRef();
+        final SequenceI[] seqWithoutSrcDBRef = seqsWithoutSourceDBRef
+                .toArray(new SequenceI[y]);
+        DBRefFetcher dbRefFetcher = new DBRefFetcher(seqWithoutSrcDBRef,
+                progressBar, new DbSourceProxy[]
+                { new jalview.ws.dbsources.Uniprot() }, null, false);
+        dbRefFetcher.addListener(afterDbRefFetch);
+        // ideally this would also gracefully run with callbacks
 
-        final int y = seqsWithoutSourceDBRef.size();
-        if (y > 0)
-        {
-          final SequenceI[] seqWithoutSrcDBRef = seqsWithoutSourceDBRef
-                  .toArray(new SequenceI[y]);
-          DBRefFetcher dbRefFetcher = new DBRefFetcher(seqWithoutSrcDBRef,
-                  progressBar, new DbSourceProxy[]
-                  { new jalview.ws.dbsources.Uniprot() }, null, false);
-          dbRefFetcher.addListener(afterDbRefFetch);
-          // ideally this would also gracefully run with callbacks
-          dbRefFetcher.fetchDBRefs(true);
-        } else {
-          // call finished action directly
-          afterDbRefFetch.finished();
-        }
+        dbRefFetcher.fetchDBRefs(true);
       }
-
+      else
+      {
+        // call finished action directly
+        afterDbRefFetch.finished();
+      }
+      return null;
     };
-    final Runnable revertview = new Runnable() {
-      public void run() {
-        if (lastSelected!=null) {
-          cmb_filterOption.setSelectedItem(lastSelected);
-        }
-      };
+    final Callable revertview = () -> {
+      if (lastSelected != null)
+      {
+        cmb_filterOption.setSelectedItem(lastSelected);
+      }
+      return null;
     };
+    int threshold = Cache.getDefault("UNIPROT_AUTOFETCH_THRESHOLD",
+            THRESHOLD_WARN_UNIPROT_FETCH_NEEDED);
+    Console.debug("Using Uniprot fetch threshold of " + threshold);
+    if (ignoreGui || seqsWithoutSourceDBRef.size() < threshold)
+    {
+      Executors.newSingleThreadExecutor().submit(discoverCanonicalDBrefs);
+      return;
+    }
     // need cancel and no to result in the discoverPDB action - mocked is
-    // 'cancel'
-    JvOptionPane.newOptionDialog(this)
+    // 'cancel' TODO: mock should be OK
+
+    StructureChooser thisSC = this;
+    JvOptionPane.newOptionDialog(thisSC.getFrame())
             .setResponseHandler(JvOptionPane.OK_OPTION,
                     discoverCanonicalDBrefs)
             .setResponseHandler(JvOptionPane.CANCEL_OPTION, revertview)
@@ -316,13 +380,12 @@ public class StructureChooser extends GStructureChooser
                     MessageManager.formatMessage(
                             "label.fetch_references_for_3dbeacons",
                             seqsWithoutSourceDBRef.size()),
-                    MessageManager
-                            .getString("label.3dbeacons"),
+                    MessageManager.getString("label.3dbeacons"),
                     JvOptionPane.YES_NO_OPTION, JvOptionPane.PLAIN_MESSAGE,
                     null, new Object[]
                     { MessageManager.getString("action.ok"),
                         MessageManager.getString("action.cancel") },
-                    MessageManager.getString("action.ok"));
+                    MessageManager.getString("action.ok"), false);
   }
 
   /**
@@ -594,7 +657,7 @@ public class StructureChooser extends GStructureChooser
     // StructureChooser
     // works
     jalview.io.JalviewFileChooser chooser = new jalview.io.JalviewFileChooser(
-            jalview.bin.Cache.getProperty("LAST_DIRECTORY"));
+            Cache.getProperty("LAST_DIRECTORY"));
     chooser.setFileView(new jalview.io.JalviewFileView());
     chooser.setDialogTitle(
             MessageManager.formatMessage("label.select_pdb_file_for",
@@ -607,7 +670,7 @@ public class StructureChooser extends GStructureChooser
     if (value == jalview.io.JalviewFileChooser.APPROVE_OPTION)
     {
       selectedPdbFileName = chooser.getSelectedFile().getPath();
-      jalview.bin.Cache.setProperty("LAST_DIRECTORY", selectedPdbFileName);
+      Cache.setProperty("LAST_DIRECTORY", selectedPdbFileName);
       validateSelections();
     }
   }
@@ -662,10 +725,8 @@ public class StructureChooser extends GStructureChooser
                     "-", VIEWS_FROM_FILE, false, null));
     if (canQueryTDB && notQueriedTDBYet)
     {
-      FilterOption queryTDBOption = new FilterOption(
-              MessageManager.getString("label.search_3dbeacons"), "-",
-              VIEWS_QUERYING_TDB, false, null);
-      cmb_filterOption.addItem(queryTDBOption);
+      btn_queryTDB.setVisible(true);
+      pnl_queryTDB.setVisible(true);
     }
 
     if (cachedPDBExist)
@@ -693,13 +754,7 @@ public class StructureChooser extends GStructureChooser
   {
     FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
             .getSelectedItem());
-    
-    // first check if we need to rebuild dialog
-    if (selectedFilterOpt.getView() == VIEWS_QUERYING_TDB)
-    {
-      promptForTDBFetch();
-      return;
-    }
+
     if (lastSelected == selectedFilterOpt)
     {
       // don't need to do anything, probably
@@ -714,7 +769,7 @@ public class StructureChooser extends GStructureChooser
     String filterTitle = mainFrame.getTitle();
     mainFrame.setTitle(frameTitle);
     chk_invertFilter.setVisible(false);
-    
+
     if (selectedFilterOpt.getView() == VIEWS_FILTER)
     {
       mainFrame.setTitle(filterTitle);
@@ -799,6 +854,46 @@ public class StructureChooser extends GStructureChooser
             .setEnabled(selectedCount > 1 || targetView.getItemCount() > 0);
   }
 
+  @Override
+  protected boolean showPopupFor(int selectedRow, int x, int y)
+  {
+    FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
+            .getSelectedItem());
+    String currentView = selectedFilterOpt.getView();
+
+    if (currentView == VIEWS_FILTER
+            && data instanceof ThreeDBStructureChooserQuerySource)
+    {
+
+      TDB_FTSData row = ((ThreeDBStructureChooserQuerySource) data)
+              .getFTSDataFor(getResultTable(), selectedRow,
+                      discoveredStructuresSet);
+      String pageUrl = row.getModelViewUrl();
+      JPopupMenu popup = new JPopupMenu("3D Beacons");
+      JMenuItem viewUrl = new JMenuItem("View model web page");
+      viewUrl.addActionListener(new ActionListener()
+      {
+        @Override
+        public void actionPerformed(ActionEvent e)
+        {
+          Desktop.showUrl(pageUrl);
+        }
+      });
+      popup.add(viewUrl);
+      SwingUtilities.invokeLater(new Runnable()
+      {
+        @Override
+        public void run()
+        {
+          popup.show(getResultTable(), x, y);
+        }
+      });
+      return true;
+    }
+    // event not handled by us
+    return false;
+  }
+
   /**
    * Validates inputs from the Manual PDB entry panel
    */
@@ -870,7 +965,9 @@ public class StructureChooser extends GStructureChooser
   {
     validateSelections();
   }
-  private FilterOption lastSelected=null;
+
+  private FilterOption lastSelected = null;
+
   /**
    * Handles the state change event for the 'filter' combo-box and 'invert'
    * check-box
@@ -1027,7 +1124,8 @@ public class StructureChooser extends GStructureChooser
             if (pdbIdStr.split(":").length > 1)
             {
               pdbEntry.setId(pdbIdStr.split(":")[0]);
-              pdbEntry.setChainCode(pdbIdStr.split(":")[1].toUpperCase(Locale.ROOT));
+              pdbEntry.setChainCode(
+                      pdbIdStr.split(":")[1].toUpperCase(Locale.ROOT));
             }
             else
             {
@@ -1295,6 +1393,7 @@ public class StructureChooser extends GStructureChooser
   {
     if (selectedSequences != null)
     {
+      lbl_loading.setVisible(true);
       Thread refreshThread = new Thread(new Runnable()
       {
         @Override
@@ -1306,6 +1405,7 @@ public class StructureChooser extends GStructureChooser
           filterResultSet(
                   ((FilterOption) cmb_filterOption.getSelectedItem())
                           .getValue());
+          lbl_loading.setVisible(false);
         }
       });
       refreshThread.start();
@@ -1426,7 +1526,8 @@ public class StructureChooser extends GStructureChooser
   @Override
   public void setProgressBar(String message, long id)
   {
-    progressBar.setProgressBar(message, id);
+    if (!Platform.isHeadless())
+      progressBar.setProgressBar(message, id);
   }
 
   @Override
@@ -1464,4 +1565,48 @@ public class StructureChooser extends GStructureChooser
             && mainFrame.isVisible()
             && cmb_filterOption.getSelectedItem() != null;
   }
+
+  /**
+   * 
+   * @return true if the 3D-Beacons query button will/has been displayed
+   */
+  public boolean isCanQueryTDB()
+  {
+    return canQueryTDB;
+  }
+
+  public boolean isNotQueriedTDBYet()
+  {
+    return notQueriedTDBYet;
+  }
+
+  /**
+   * Open a single structure file for a given sequence
+   */
+  public static void openStructureFileForSequence(AlignmentPanel ap,
+          SequenceI seq, File sFile)
+  {
+    StructureChooser sc = new StructureChooser(new SequenceI[] { seq }, seq,
+            ap, true);
+    StructureSelectionManager ssm = ap.getStructureSelectionManager();
+    PDBEntry fileEntry = null;
+    try
+    {
+      fileEntry = new AssociatePdbFileWithSeq().associatePdbWithSeq(
+              sFile.getAbsolutePath(), DataSourceType.FILE, seq, true,
+              Desktop.instance);
+    } catch (Exception e)
+    {
+      Console.error("Could not open structure file '"
+              + sFile.getAbsolutePath() + "'");
+      return;
+    }
+
+    StructureViewer sViewer = sc.launchStructureViewer(ssm,
+            new PDBEntry[]
+            { fileEntry }, ap, new SequenceI[] { seq });
+
+    sc.mainFrame.dispose();
+    sc.noChooserGUI = false;
+  }
 }