JAL-1847 superpose checkbox in structure chooser
[jalview.git] / src / jalview / gui / StructureChooser.java
index da10e3f..1b69989 100644 (file)
@@ -21,6 +21,8 @@
 
 package jalview.gui;
 
+import jalview.api.structures.JalviewStructureDisplayI;
+import jalview.bin.Cache;
 import jalview.bin.Jalview;
 import jalview.datamodel.DBRefEntry;
 import jalview.datamodel.DBRefSource;
@@ -53,6 +55,8 @@ import java.util.Vector;
 import javax.swing.JCheckBox;
 import javax.swing.JComboBox;
 import javax.swing.JLabel;
+import javax.swing.JTable;
+import javax.swing.SwingUtilities;
 import javax.swing.table.AbstractTableModel;
 
 /**
@@ -105,6 +109,8 @@ public class StructureChooser extends GStructureChooser
       progressBar = new ProgressBar(this.statusPanel, this.statusBar);
     }
 
+    chk_superpose.setSelected(Cache.getDefault("AUTOSUPERIMPOSE", true));
+
     // ensure a filter option is in force for search
     populateFilterComboBox(true, cachedPDBExists);
     Thread discoverPDBStructuresThread = new Thread(new Runnable()
@@ -122,6 +128,7 @@ public class StructureChooser extends GStructureChooser
         fetchStructuresMetaData();
         // revise filter options if no results were found
         populateFilterComboBox(isStructuresDiscovered(), cachedPDBExists);
+        discoverStructureViews();
         updateProgressIndicator(null, startTime);
         mainFrame.setVisible(true);
         updateCurrentView();
@@ -130,6 +137,47 @@ public class StructureChooser extends GStructureChooser
     discoverPDBStructuresThread.start();
   }
 
+  private void discoverStructureViews()
+  {
+    if (Desktop.instance != null)
+    {
+      targetView.removeAllItems();
+      targetView.addItem(
+              new StructureViewer(ap.getStructureSelectionManager()));
+      if (lastTargetedView != null && !lastTargetedView.isVisible())
+      {
+        lastTargetedView = null;
+      }
+      int linkedViewsAt = 1;
+      for (StructureViewerBase view : Desktop.instance
+              .getStructureViewers(null, null))
+      {
+        StructureViewer viewHandler = (lastTargetedView != null
+                && lastTargetedView.sview == view) ? lastTargetedView
+                        : StructureViewer.reconfigure(view);
+
+        if (view.isLinkedWith(ap))
+        {
+          targetView.insertItemAt(viewHandler,
+                  linkedViewsAt++);
+        }
+        else
+        {
+          targetView.addItem(viewHandler);
+        }
+      }
+      targetView.setVisible(targetView.getItemCount() > 1);
+
+      // finally, restore last targeted view by default.
+      if (lastTargetedView != null)
+      {
+        targetView.setSelectedItem(lastTargetedView);
+      }
+    }
+  }
+
+  private static StructureViewer lastTargetedView = null;
+
   /**
    * Updates the progress indicator with the specified message
    * 
@@ -157,8 +205,8 @@ public class StructureChooser extends GStructureChooser
     Collection<FTSDataColumnI> wantedFields = pdbDocFieldPrefs
             .getStructureSummaryFields();
 
-    discoveredStructuresSet = new LinkedHashSet<FTSData>();
-    HashSet<String> errors = new HashSet<String>();
+    discoveredStructuresSet = new LinkedHashSet<>();
+    HashSet<String> errors = new HashSet<>();
     for (SequenceI seq : selectedSequences)
     {
       FTSRestRequest pdbRequest = new FTSRestRequest();
@@ -223,7 +271,7 @@ public class StructureChooser extends GStructureChooser
 
   public void loadLocalCachedPDBEntries()
   {
-    ArrayList<CachedPDB> entries = new ArrayList<CachedPDB>();
+    ArrayList<CachedPDB> entries = new ArrayList<>();
     for (SequenceI seq : selectedSequences)
     {
       if (seq.getDatasetSequence() != null
@@ -257,7 +305,7 @@ public class StructureChooser extends GStructureChooser
     boolean isPDBRefsFound = false;
     boolean isUniProtRefsFound = false;
     StringBuilder queryBuilder = new StringBuilder();
-    Set<String> seqRefs = new LinkedHashSet<String>();
+    Set<String> seqRefs = new LinkedHashSet<>();
 
     if (seq.getAllPDBEntries() != null
             && queryBuilder.length() < MAX_QLENGTH)
@@ -401,8 +449,8 @@ public class StructureChooser extends GStructureChooser
         lbl_loading.setVisible(true);
         Collection<FTSDataColumnI> wantedFields = pdbDocFieldPrefs
                 .getStructureSummaryFields();
-        Collection<FTSData> filteredResponse = new HashSet<FTSData>();
-        HashSet<String> errors = new HashSet<String>();
+        Collection<FTSData> filteredResponse = new HashSet<>();
+        HashSet<String> errors = new HashSet<>();
 
         for (SequenceI seq : selectedSequences)
         {
@@ -453,7 +501,7 @@ public class StructureChooser extends GStructureChooser
         if (!filteredResponse.isEmpty())
         {
           final int filterResponseCount = filteredResponse.size();
-          Collection<FTSData> reorderedStructuresSet = new LinkedHashSet<FTSData>();
+          Collection<FTSData> reorderedStructuresSet = new LinkedHashSet<>();
           reorderedStructuresSet.addAll(filteredResponse);
           reorderedStructuresSet.addAll(discoveredStructuresSet);
           getResultTable().setModel(FTSRestResponse
@@ -525,7 +573,7 @@ public class StructureChooser extends GStructureChooser
    * structures
    */
   protected void populateFilterComboBox(boolean haveData,
-          boolean cachedPDBExists)
+          boolean cachedPDBExist)
   {
     /*
      * temporarily suspend the change listener behaviour
@@ -535,25 +583,33 @@ public class StructureChooser extends GStructureChooser
     cmb_filterOption.removeAllItems();
     if (haveData)
     {
-      cmb_filterOption.addItem(new FilterOption("Best Quality",
+      cmb_filterOption.addItem(new FilterOption(
+              MessageManager.getString("label.best_quality"),
               "overall_quality", VIEWS_FILTER, false));
-      cmb_filterOption.addItem(new FilterOption("Best Resolution",
+      cmb_filterOption.addItem(new FilterOption(
+              MessageManager.getString("label.best_resolution"),
               "resolution", VIEWS_FILTER, false));
-      cmb_filterOption.addItem(new FilterOption("Most Protein Chain",
+      cmb_filterOption.addItem(new FilterOption(
+              MessageManager.getString("label.most_protein_chain"),
               "number_of_protein_chains", VIEWS_FILTER, false));
-      cmb_filterOption.addItem(new FilterOption("Most Bound Molecules",
+      cmb_filterOption.addItem(new FilterOption(
+              MessageManager.getString("label.most_bound_molecules"),
               "number_of_bound_molecules", VIEWS_FILTER, false));
-      cmb_filterOption.addItem(new FilterOption("Most Polymer Residues",
+      cmb_filterOption.addItem(new FilterOption(
+              MessageManager.getString("label.most_polymer_residues"),
               "number_of_polymer_residues", VIEWS_FILTER, true));
     }
     cmb_filterOption.addItem(
-            new FilterOption("Enter PDB Id", "-", VIEWS_ENTER_ID, false));
+            new FilterOption(MessageManager.getString("label.enter_pdb_id"),
+                    "-", VIEWS_ENTER_ID, false));
     cmb_filterOption.addItem(
-            new FilterOption("From File", "-", VIEWS_FROM_FILE, false));
+            new FilterOption(MessageManager.getString("label.from_file"),
+                    "-", VIEWS_FROM_FILE, false));
 
-    if (cachedPDBExists)
+    if (cachedPDBExist)
     {
-      FilterOption cachedOption = new FilterOption("Cached PDB Entries",
+      FilterOption cachedOption = new FilterOption(
+              MessageManager.getString("label.cached_structures"),
               "-", VIEWS_LOCAL_PDB, false);
       cmb_filterOption.addItem(cachedOption);
       cmb_filterOption.setSelectedItem(cachedOption);
@@ -720,17 +776,65 @@ public class StructureChooser extends GStructureChooser
   }
 
   /**
+   * select structures for viewing by their PDB IDs
+   * 
+   * @param pdbids
+   * @return true if structures were found and marked as selected
+   */
+  public boolean selectStructure(String... pdbids)
+  {
+    boolean found = false;
+
+    FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
+            .getSelectedItem());
+    String currentView = selectedFilterOpt.getView();
+    JTable restable = (currentView == VIEWS_FILTER) ? getResultTable()
+            : (currentView == VIEWS_LOCAL_PDB) ? tbl_local_pdb : null;
+
+    if (restable == null)
+    {
+      // can't select (enter PDB ID, or load file - need to also select which
+      // sequence to associate with)
+      return false;
+    }
+
+    int pdbIdColIndex = restable.getColumn("PDB Id").getModelIndex();
+    for (int r = 0; r < restable.getRowCount(); r++)
+    {
+      for (int p = 0; p < pdbids.length; p++)
+      {
+        if (String.valueOf(restable.getValueAt(r, pdbIdColIndex))
+                .equalsIgnoreCase(pdbids[p]))
+        {
+          restable.setRowSelectionInterval(r, r);
+          found = true;
+        }
+      }
+    }
+    return found;
+  }
+  /**
    * Handles action event for btn_ok
    */
   @Override
   public void ok_ActionPerformed()
   {
-    final long progressSessionId = System.currentTimeMillis();
+    showStructures(false);
+  }
+
+  /**
+   * structure viewer opened by this dialog, or null
+   */
+  private StructureViewer sViewer = null;
+
+  public void showStructures(boolean waitUntilFinished)
+  {
+
     final StructureSelectionManager ssm = ap.getStructureSelectionManager();
+
     final int preferredHeight = pnl_filter.getHeight();
-    ssm.setProgressIndicator(this);
-    ssm.setProgressSessionId(progressSessionId);
-    new Thread(new Runnable()
+
+    Runnable viewStruc = new Runnable()
     {
       @Override
       public void run()
@@ -738,21 +842,24 @@ public class StructureChooser extends GStructureChooser
         FilterOption selectedFilterOpt = ((FilterOption) cmb_filterOption
                 .getSelectedItem());
         String currentView = selectedFilterOpt.getView();
+        JTable restable = (currentView == VIEWS_FILTER) ? getResultTable()
+                : tbl_local_pdb;
+
         if (currentView == VIEWS_FILTER)
         {
-          int pdbIdColIndex = getResultTable().getColumn("PDB Id")
+          int pdbIdColIndex = restable.getColumn("PDB Id")
                   .getModelIndex();
-          int refSeqColIndex = getResultTable().getColumn("Ref Sequence")
+          int refSeqColIndex = restable.getColumn("Ref Sequence")
                   .getModelIndex();
-          int[] selectedRows = getResultTable().getSelectedRows();
+          int[] selectedRows = restable.getSelectedRows();
           PDBEntry[] pdbEntriesToView = new PDBEntry[selectedRows.length];
           int count = 0;
-          List<SequenceI> selectedSeqsToView = new ArrayList<SequenceI>();
+          List<SequenceI> selectedSeqsToView = new ArrayList<>();
           for (int row : selectedRows)
           {
-            String pdbIdStr = getResultTable()
+            String pdbIdStr = restable
                     .getValueAt(row, pdbIdColIndex).toString();
-            SequenceI selectedSeq = (SequenceI) getResultTable()
+            SequenceI selectedSeq = (SequenceI) restable
                     .getValueAt(row, refSeqColIndex);
             selectedSeqsToView.add(selectedSeq);
             PDBEntry pdbEntry = selectedSeq.getPDBEntry(pdbIdStr);
@@ -761,6 +868,7 @@ public class StructureChooser extends GStructureChooser
               pdbEntry = getFindEntry(pdbIdStr,
                       selectedSeq.getAllPDBEntries());
             }
+
             if (pdbEntry == null)
             {
               pdbEntry = new PDBEntry();
@@ -772,7 +880,8 @@ public class StructureChooser extends GStructureChooser
           }
           SequenceI[] selectedSeqs = selectedSeqsToView
                   .toArray(new SequenceI[selectedSeqsToView.size()]);
-          launchStructureViewer(ssm, pdbEntriesToView, ap, selectedSeqs);
+          sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap,
+                  selectedSeqs);
         }
         else if (currentView == VIEWS_LOCAL_PDB)
         {
@@ -783,7 +892,7 @@ public class StructureChooser extends GStructureChooser
                   .getModelIndex();
           int refSeqColIndex = tbl_local_pdb.getColumn("Ref Sequence")
                   .getModelIndex();
-          List<SequenceI> selectedSeqsToView = new ArrayList<SequenceI>();
+          List<SequenceI> selectedSeqsToView = new ArrayList<>();
           for (int row : selectedRows)
           {
             PDBEntry pdbEntry = (PDBEntry) tbl_local_pdb.getValueAt(row,
@@ -795,7 +904,8 @@ public class StructureChooser extends GStructureChooser
           }
           SequenceI[] selectedSeqs = selectedSeqsToView
                   .toArray(new SequenceI[selectedSeqsToView.size()]);
-          launchStructureViewer(ssm, pdbEntriesToView, ap, selectedSeqs);
+          sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap,
+                  selectedSeqs);
         }
         else if (currentView == VIEWS_ENTER_ID)
         {
@@ -805,7 +915,6 @@ public class StructureChooser extends GStructureChooser
           {
             selectedSequence = userSelectedSeq;
           }
-
           String pdbIdStr = txt_search.getText();
           PDBEntry pdbEntry = selectedSequence.getPDBEntry(pdbIdStr);
           if (pdbEntry == null)
@@ -825,7 +934,7 @@ public class StructureChooser extends GStructureChooser
           }
 
           PDBEntry[] pdbEntriesToView = new PDBEntry[] { pdbEntry };
-          launchStructureViewer(ssm, pdbEntriesToView, ap,
+          sViewer = launchStructureViewer(ssm, pdbEntriesToView, ap,
                   new SequenceI[]
                   { selectedSequence });
         }
@@ -842,13 +951,40 @@ public class StructureChooser extends GStructureChooser
                           DataSourceType.FILE, selectedSequence, true,
                           Desktop.instance);
 
-          launchStructureViewer(ssm, new PDBEntry[] { fileEntry }, ap,
+          sViewer = launchStructureViewer(
+                  ssm, new PDBEntry[]
+                  { fileEntry }, ap,
                   new SequenceI[]
                   { selectedSequence });
         }
-        closeAction(preferredHeight);
+        SwingUtilities.invokeLater(new Runnable()
+        {
+          @Override
+          public void run()
+          {
+            closeAction(preferredHeight);
+            mainFrame.dispose();
+          }
+        });
+      }
+    };
+    Thread runner = new Thread(viewStruc);
+    runner.start();
+    if (waitUntilFinished)
+    {
+      while (sViewer == null ? runner.isAlive()
+              : (sViewer.sview == null ? true
+                      : !sViewer.sview.hasMapping()))
+      {
+        try
+        {
+          Thread.sleep(300);
+        } catch (InterruptedException ie)
+        {
+
+        }
       }
-    }).start();
+    }
   }
 
   private PDBEntry getFindEntry(String id, Vector<PDBEntry> pdbEntries)
@@ -866,17 +1002,40 @@ public class StructureChooser extends GStructureChooser
     return foundEntry;
   }
 
-  private void launchStructureViewer(StructureSelectionManager ssm,
+  /**
+   * @param ssm
+   * @return targetted structure view (new or existing) configured according to
+   *         superpose checkbox
+   */
+  public StructureViewer getTargetedStructureViewer(
+          StructureSelectionManager ssm)
+  {
+    Object _sv = targetView.getSelectedItem();
+    StructureViewer sv;
+    if (_sv == null)
+    {
+      sv = new StructureViewer(ssm);
+    } else {
+      sv = (StructureViewer) _sv;
+    }
+    sv.setSuperpose(chk_superpose.isSelected());
+    return sv;
+  }
+  private StructureViewer launchStructureViewer(
+          StructureSelectionManager ssm,
           final PDBEntry[] pdbEntriesToView,
           final AlignmentPanel alignPanel, SequenceI[] sequences)
   {
-    ssm.setProgressBar(MessageManager
-            .getString("status.launching_3d_structure_viewer"));
-    final StructureViewer sViewer = new StructureViewer(ssm);
+    long progressId = sequences.hashCode();
+    setProgressBar(MessageManager
+            .getString("status.launching_3d_structure_viewer"), progressId);
+    final StructureViewer sViewer = getTargetedStructureViewer(ssm);
+    sViewer.setSuperpose(chk_superpose.isSelected());
 
+    setProgressBar(null, progressId);
     if (SiftsSettings.isMapWithSifts())
     {
-      List<SequenceI> seqsWithoutSourceDBRef = new ArrayList<SequenceI>();
+      List<SequenceI> seqsWithoutSourceDBRef = new ArrayList<>();
       int p = 0;
       // TODO: skip PDBEntry:Sequence pairs where PDBEntry doesn't look like a
       // real PDB ID. For moment, we can also safely do this if there is already
@@ -907,41 +1066,40 @@ public class StructureChooser extends GStructureChooser
       if (!seqsWithoutSourceDBRef.isEmpty())
       {
         int y = seqsWithoutSourceDBRef.size();
-        ssm.setProgressBar(null);
-        ssm.setProgressBar(MessageManager.formatMessage(
+        setProgressBar(MessageManager.formatMessage(
                 "status.fetching_dbrefs_for_sequences_without_valid_refs",
-                y));
+                y), progressId);
         SequenceI[] seqWithoutSrcDBRef = new SequenceI[y];
         int x = 0;
         for (SequenceI fSeq : seqsWithoutSourceDBRef)
         {
           seqWithoutSrcDBRef[x++] = fSeq;
         }
+
         DBRefFetcher dbRefFetcher = new DBRefFetcher(seqWithoutSrcDBRef);
         dbRefFetcher.fetchDBRefs(true);
+
+        setProgressBar("Fetch complete.", progressId); // todo i18n
       }
     }
     if (pdbEntriesToView.length > 1)
     {
-      ArrayList<SequenceI[]> seqsMap = new ArrayList<SequenceI[]>();
-      for (SequenceI seq : sequences)
-      {
-        seqsMap.add(new SequenceI[] { seq });
-      }
-      SequenceI[][] collatedSeqs = seqsMap.toArray(new SequenceI[0][0]);
-      ssm.setProgressBar(null);
-      ssm.setProgressBar(MessageManager.getString(
-              "status.fetching_3d_structures_for_selected_entries"));
-      sViewer.viewStructures(pdbEntriesToView, collatedSeqs, alignPanel);
+      setProgressBar(MessageManager.getString(
+              "status.fetching_3d_structures_for_selected_entries"),
+              progressId);
+      sViewer.viewStructures(pdbEntriesToView, sequences, alignPanel);
     }
     else
     {
-      ssm.setProgressBar(null);
-      ssm.setProgressBar(MessageManager.formatMessage(
+      setProgressBar(MessageManager.formatMessage(
               "status.fetching_3d_structures_for",
-              pdbEntriesToView[0].getId()));
+              pdbEntriesToView[0].getId()),progressId);
       sViewer.viewStructures(pdbEntriesToView[0], sequences, alignPanel);
     }
+    setProgressBar(null, progressId);
+    // remember the last viewer we used...
+    lastTargetedView = sViewer;
+    return sViewer;
   }
 
   /**
@@ -1000,7 +1158,7 @@ public class StructureChooser extends GStructureChooser
           String searchTerm = txt_search.getText().toLowerCase();
           searchTerm = searchTerm.split(":")[0];
           // System.out.println(">>>>> search term : " + searchTerm);
-          List<FTSDataColumnI> wantedFields = new ArrayList<FTSDataColumnI>();
+          List<FTSDataColumnI> wantedFields = new ArrayList<>();
           FTSRestRequest pdbRequest = new FTSRestRequest();
           pdbRequest.setAllowEmptySeq(false);
           pdbRequest.setResponseSize(1);
@@ -1062,7 +1220,7 @@ public class StructureChooser extends GStructureChooser
 
     public PDBEntryTableModel(List<CachedPDB> pdbEntries)
     {
-      this.pdbEntries = new ArrayList<CachedPDB>(pdbEntries);
+      this.pdbEntries = new ArrayList<>(pdbEntries);
     }
 
     @Override
@@ -1172,4 +1330,9 @@ public class StructureChooser extends GStructureChooser
   {
     return progressBar.operationInProgress();
   }
+
+  public JalviewStructureDisplayI getOpenedStructureViewer()
+  {
+    return sViewer == null ? null : sViewer.sview;
+  }
 }