JAL-1153 new runtime property set to first non-null annotation element colour
[jalview.git] / src / jalview / gui / Jalview2XML.java
index 3c5259e..bde3035 100644 (file)
@@ -1,18 +1,18 @@
 /*
  * Jalview - A Sequence Alignment Editor and Viewer (Version 2.7)
- * Copyright (C) 2011 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle
- * 
+ * Copyright (C) 2011 J Procter, AM Waterhouse, J Engelhardt, LM Lui, G Barton, M Clamp, S Searle
+ *
  * 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 
+ * 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 
+ *
+ * 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 <http://www.gnu.org/licenses/>.
  */
 package jalview.gui;
@@ -29,7 +29,6 @@ import javax.swing.*;
 
 import org.exolab.castor.xml.*;
 
-import uk.ac.vamsas.objects.utils.MapList;
 import jalview.bin.Cache;
 import jalview.datamodel.Alignment;
 import jalview.datamodel.AlignmentAnnotation;
@@ -37,16 +36,23 @@ import jalview.datamodel.AlignmentI;
 import jalview.datamodel.SequenceI;
 import jalview.schemabinding.version2.*;
 import jalview.schemes.*;
-import jalview.structure.StructureSelectionManager;
+import jalview.util.Platform;
 import jalview.util.jarInputStreamProvider;
+import jalview.ws.jws2.AAConsClient;
+import jalview.ws.jws2.Jws2Discoverer;
+import jalview.ws.jws2.dm.AAConsSettings;
+import jalview.ws.jws2.jabaws2.Jws2Instance;
+import jalview.ws.params.ArgumentI;
+import jalview.ws.params.AutoCalcSetting;
+import jalview.ws.params.WsParamSetI;
 
 /**
  * Write out the current jalview desktop state as a Jalview XML stream.
- * 
+ *
  * Note: the vamsas objects referred to here are primitive versions of the
  * VAMSAS project schema elements - they are not the same and most likely never
  * will be :)
- * 
+ *
  * @author $author$
  * @version $Revision: 1.134 $
  */
@@ -54,7 +60,7 @@ public class Jalview2XML
 {
   /**
    * create/return unique hash string for sq
-   * 
+   *
    * @param sq
    * @return new or existing unique string for sq
    */
@@ -260,7 +266,7 @@ public class Jalview2XML
 
   /**
    * Writes a jalview project archive to the given Jar output stream.
-   * 
+   *
    * @param jout
    */
   public void SaveState(JarOutputStream jout)
@@ -401,7 +407,7 @@ public class Jalview2XML
   /**
    * create a JalviewModel from an algnment view and marshall it to a
    * JarOutputStream
-   * 
+   *
    * @param ap
    *          panel to create jalview model for
    * @param fileName
@@ -426,9 +432,9 @@ public class Jalview2XML
     object.setCreationDate(new java.util.Date(System.currentTimeMillis()));
     object.setVersion(jalview.bin.Cache.getProperty("VERSION"));
 
-    jalview.datamodel.AlignmentI jal = av.alignment;
+    jalview.datamodel.AlignmentI jal = av.getAlignment();
 
-    if (av.hasHiddenRows)
+    if (av.hasHiddenRows())
     {
       jal = jal.getHiddenSequences().getFullAlignment();
     }
@@ -458,6 +464,7 @@ public class Jalview2XML
     }
 
     JSeq jseq;
+    Set<String> calcIdSet=new HashSet<String>();
 
     // SAVE SEQUENCES
     String id = "";
@@ -497,15 +504,14 @@ public class Jalview2XML
 
       jseq.setId(id); // jseq id should be a string not a number
 
-      if (av.hasHiddenRows)
+      if (av.hasHiddenRows())
       {
-        jseq.setHidden(av.alignment.getHiddenSequences().isHidden(jds));
+        jseq.setHidden(av.getAlignment().getHiddenSequences().isHidden(jds));
 
-        if (av.hiddenRepSequences != null
-                && av.hiddenRepSequences.containsKey(jal.getSequenceAt(i)))
+        if (av.isHiddenRepSequence(jal.getSequenceAt(i)))
         {
-          jalview.datamodel.SequenceI[] reps = ((jalview.datamodel.SequenceGroup) av.hiddenRepSequences
-                  .get(jal.getSequenceAt(i))).getSequencesInOrder(jal);
+          jalview.datamodel.SequenceI[] reps = av.getRepresentedSequences(
+                  jal.getSequenceAt(i)).getSequencesInOrder(jal);
 
           for (int h = 0; h < reps.length; h++)
           {
@@ -612,8 +618,8 @@ public class Jalview2XML
 
                 for (int smap = 0; smap < jmol.jmb.sequence[peid].length; smap++)
                 {
-//                  if (jal.findIndex(jmol.jmb.sequence[peid][smap]) > -1)
-                  if (jds==jmol.jmb.sequence[peid][smap])
+                  // if (jal.findIndex(jmol.jmb.sequence[peid][smap]) > -1)
+                  if (jds == jmol.jmb.sequence[peid][smap])
                   {
                     StructureState state = new StructureState();
                     state.setVisible(true);
@@ -707,9 +713,9 @@ public class Jalview2XML
       jms.addJSeq(jseq);
     }
 
-    if (av.hasHiddenRows)
+    if (av.hasHiddenRows())
     {
-      jal = av.alignment;
+      jal = av.getAlignment();
     }
     // SAVE MAPPINGS
     if (jal.getCodonFrames() != null && jal.getCodonFrames().length > 0)
@@ -765,7 +771,7 @@ public class Jalview2XML
           {
             TreePanel tp = (TreePanel) frames[t];
 
-            if (tp.treeCanvas.av.alignment == jal)
+            if (tp.treeCanvas.av.getAlignment() == jal)
             {
               Tree tree = new Tree();
               tree.setTitle(tp.getTitle());
@@ -793,7 +799,6 @@ public class Jalview2XML
         }
       }
     }
-
     // SAVE ANNOTATIONS
     /**
      * store forward refs from an annotationRow to any groups
@@ -843,6 +848,7 @@ public class Jalview2XML
         an.setCentreColLabels(aa[i].centreColLabels);
         an.setScaleColLabels(aa[i].scaleColLabel);
         an.setShowAllColLabels(aa[i].showAllColLabels);
+        an.setBelowAlignment(aa[i].belowAlignment);
 
         if (aa[i].graph > 0)
         {
@@ -865,8 +871,10 @@ public class Jalview2XML
 
         an.setLabel(aa[i].label);
 
-        if (aa[i] == av.quality || aa[i] == av.conservation
-                || aa[i] == av.consensus || aa[i].autoCalculated)
+        if (aa[i] == av.getAlignmentQualityAnnot()
+                || aa[i] == av.getAlignmentConservationAnnotation()
+                || aa[i] == av.getAlignmentConsensusAnnotation()
+                || aa[i].autoCalculated)
         {
           // new way of indicating autocalculated annotation -
           an.setAutoCalculated(aa[i].autoCalculated);
@@ -875,6 +883,13 @@ public class Jalview2XML
         {
           an.setScore(aa[i].getScore());
         }
+
+        if (aa[i].getCalcId() != null)
+        {
+          calcIdSet.add(aa[i].getCalcId());
+          an.setCalcId(aa[i].getCalcId());
+        }
+
         AnnotationElement ae;
         if (aa[i].annotations != null)
         {
@@ -928,13 +943,11 @@ public class Jalview2XML
     if (jal.getGroups() != null)
     {
       JGroup[] groups = new JGroup[jal.getGroups().size()];
-
-      for (int i = 0; i < groups.length; i++)
+      int i = -1;
+      for (jalview.datamodel.SequenceGroup sg : jal.getGroups())
       {
-        groups[i] = new JGroup();
+        groups[++i] = new JGroup();
 
-        jalview.datamodel.SequenceGroup sg = (jalview.datamodel.SequenceGroup) jal
-                .getGroups().elementAt(i);
         groups[i].setStart(sg.getStartRes());
         groups[i].setEnd(sg.getEndRes());
         groups[i].setName(sg.getName());
@@ -1160,11 +1173,11 @@ public class Jalview2XML
       }
 
       // Make sure we save none displayed feature settings
-      Enumeration en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureColours
-              .keys();
-      while (en.hasMoreElements())
+      Iterator en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureColours
+              .keySet().iterator();
+      while (en.hasNext())
       {
-        String key = en.nextElement().toString();
+        String key = en.next().toString();
         if (settingsAdded.contains(key))
         {
           continue;
@@ -1185,11 +1198,12 @@ public class Jalview2XML
         fs.addSetting(setting);
         settingsAdded.addElement(key);
       }
-      en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureGroups.keys();
+      en = ap.seqPanel.seqCanvas.getFeatureRenderer().featureGroups
+              .keySet().iterator();
       Vector groupsAdded = new Vector();
-      while (en.hasMoreElements())
+      while (en.hasNext())
       {
-        String grp = en.nextElement().toString();
+        String grp = en.next().toString();
         if (groupsAdded.contains(grp))
         {
           continue;
@@ -1205,7 +1219,7 @@ public class Jalview2XML
 
     }
 
-    if (av.hasHiddenColumns)
+    if (av.hasHiddenColumns())
     {
       if (av.getColumnSelection() == null
               || av.getColumnSelection().getHiddenColumns() == null)
@@ -1226,6 +1240,21 @@ public class Jalview2XML
         }
       }
     }
+    if (calcIdSet.size() > 0)
+    {
+      for (String calcId : calcIdSet)
+      {
+        if (calcId.trim().length() > 0)
+        {
+          CalcIdParam cidp = createCalcIdParam(calcId, av);
+          // Some calcIds have no parameters.
+          if (cidp != null)
+          {
+            view.addCalcIdParam(cidp);
+          }
+        }
+      }
+    }
 
     jms.addViewport(view);
 
@@ -1257,6 +1286,99 @@ public class Jalview2XML
     return object;
   }
 
+  private CalcIdParam createCalcIdParam(String calcId, AlignViewport av)
+  {
+    AutoCalcSetting settings = av.getCalcIdSettingsFor(calcId);
+    if (settings != null)
+    {
+      CalcIdParam vCalcIdParam = new CalcIdParam();
+      vCalcIdParam.setCalcId(calcId);
+      vCalcIdParam.addServiceURL(settings.getServiceURI());
+      // generic URI allowing a third party to resolve another instance of the
+      // service used for this calculation
+      for (String urls : settings.getServiceURLs())
+      {
+        vCalcIdParam.addServiceURL(urls);
+      }
+      vCalcIdParam.setVersion("1.0");
+      if (settings.getPreset() != null)
+      {
+        WsParamSetI setting = settings.getPreset();
+        vCalcIdParam.setName(setting.getName());
+        vCalcIdParam.setDescription(setting.getDescription());
+      }
+      else
+      {
+        vCalcIdParam.setName("");
+        vCalcIdParam.setDescription("Last used parameters");
+      }
+      // need to be able to recover 1) settings 2) user-defined presets or
+      // recreate settings from preset 3) predefined settings provided by
+      // service - or settings that can be transferred (or discarded)
+      vCalcIdParam.setParameters(settings.getWsParamFile().replace("\n",
+              "|\\n|"));
+      vCalcIdParam.setAutoUpdate(settings.isAutoUpdate());
+      // todo - decide if updateImmediately is needed for any projects.
+
+      return vCalcIdParam;
+    }
+    return null;
+  }
+
+  private boolean recoverCalcIdParam(CalcIdParam calcIdParam,
+          AlignViewport av)
+  {
+    if (calcIdParam.getVersion().equals("1.0"))
+    {
+      Jws2Instance service = Jws2Discoverer.getDiscoverer()
+              .getPreferredServiceFor(calcIdParam.getServiceURL());
+      if (service != null)
+      {
+        WsParamSetI parmSet = null;
+        try
+        {
+          parmSet = service.getParamStore().parseServiceParameterFile(
+                  calcIdParam.getName(), calcIdParam.getDescription(),
+                  calcIdParam.getServiceURL(),
+                  calcIdParam.getParameters().replace("|\\n|", "\n"));
+        } catch (IOException x)
+        {
+          warn("Couldn't parse parameter data for "
+                  + calcIdParam.getCalcId(), x);
+          return false;
+        }
+        List<ArgumentI> argList = null;
+        if (calcIdParam.getName().length() > 0)
+        {
+          parmSet = service.getParamStore()
+                  .getPreset(calcIdParam.getName());
+          if (parmSet != null)
+          {
+            // TODO : check we have a good match with settings in AACons -
+            // otherwise we'll need to create a new preset
+          }
+        }
+        else
+        {
+          argList = parmSet.getArguments();
+          parmSet = null;
+        }
+        AAConsSettings settings = new AAConsSettings(
+                calcIdParam.isAutoUpdate(), service, parmSet, argList);
+        av.setCalcIdSettingsFor(calcIdParam.getCalcId(), settings,
+                calcIdParam.isNeedsUpdate());
+        return true;
+      }
+      else
+      {
+        warn("Cannot resolve a service for the parameters used in this project. Try configuring a JABAWS server.");
+        return false;
+      }
+    }
+    throw new Error("Unsupported Version for calcIdparam "
+            + calcIdParam.toString());
+  }
+
   /**
    * External mapping between jalview objects and objects yielding a valid and
    * unique object ID string. This is null for normal Jalview project IO, but
@@ -1579,6 +1701,7 @@ public class Jalview2XML
     return new jarInputStreamProvider()
     {
 
+      @Override
       public JarInputStream getJarInputStream() throws IOException
       {
         if (_url != null)
@@ -1591,6 +1714,7 @@ public class Jalview2XML
         }
       }
 
+      @Override
       public String getFilename()
       {
         return file;
@@ -1755,6 +1879,7 @@ public class Jalview2XML
       {
         javax.swing.SwingUtilities.invokeLater(new Runnable()
         {
+          @Override
           public void run()
           {
             JOptionPane.showInternalMessageDialog(Desktop.desktop,
@@ -1779,7 +1904,7 @@ public class Jalview2XML
    * Currently (28th Sep 2008) things will go horribly wrong in vamsas document
    * sync if this is set to true.
    */
-  private boolean updateLocalViews = false;
+  private final boolean updateLocalViews = false;
 
   String loadPDBFile(jarInputStreamProvider jprovider, String pdbId)
   {
@@ -1823,7 +1948,7 @@ public class Jalview2XML
         }
         ;
         out.close();
-        String t=outFile.toURI().getPath().substring(1);
+        String t = outFile.getAbsolutePath();
         alreadyLoadedPDB.put(pdbId, t);
         return t;
       }
@@ -1898,7 +2023,7 @@ public class Jalview2XML
 
       if (seqRefIds.get(seqId) != null)
       {
-        tmpseqs.add((jalview.datamodel.Sequence) seqRefIds.get(seqId));
+        tmpseqs.add(seqRefIds.get(seqId));
         multipleView = true;
       }
       else
@@ -1921,8 +2046,7 @@ public class Jalview2XML
           hiddenSeqs = new Vector();
         }
 
-        hiddenSeqs.addElement((jalview.datamodel.Sequence) seqRefIds
-                .get(seqId));
+        hiddenSeqs.addElement(seqRefIds.get(seqId));
       }
 
     }
@@ -2143,16 +2267,19 @@ public class Jalview2XML
         // Construct new annotation from model.
         AnnotationElement[] ae = an[i].getAnnotationElement();
         jalview.datamodel.Annotation[] anot = null;
-
+        java.awt.Color firstColour=null;
+        int anpos;
         if (!an[i].getScoreOnly())
         {
           anot = new jalview.datamodel.Annotation[al.getWidth()];
           for (int aa = 0; aa < ae.length && aa < anot.length; aa++)
           {
-            if (ae[aa].getPosition() >= anot.length)
+            anpos = ae[aa].getPosition();
+
+            if (anpos >= anot.length)
               continue;
 
-            anot[ae[aa].getPosition()] = new jalview.datamodel.Annotation(
+            anot[anpos] = new jalview.datamodel.Annotation(
 
             ae[aa].getDisplayCharacter(), ae[aa].getDescription(),
                     (ae[aa].getSecondaryStructure() == null || ae[aa]
@@ -2168,8 +2295,12 @@ public class Jalview2XML
             // {
             // anot[ae[aa].getPosition()].displayCharacter = "";
             // }
-            anot[ae[aa].getPosition()].colour = new java.awt.Color(
+            anot[anpos].colour = new java.awt.Color(
                     ae[aa].getColour());
+            if (firstColour==null)
+            {
+              firstColour=anot[anpos].colour;
+            }
           }
         }
         jalview.datamodel.AlignmentAnnotation jaa = null;
@@ -2185,7 +2316,7 @@ public class Jalview2XML
                   an[i].getGraphType());
 
           jaa.graphGroup = an[i].getGraphGroup();
-
+          jaa._linecolour=firstColour;
           if (an[i].getThresholdLine() != null)
           {
             jaa.setThreshold(new jalview.datamodel.GraphLine(an[i]
@@ -2205,25 +2336,22 @@ public class Jalview2XML
         {
           jaa = new jalview.datamodel.AlignmentAnnotation(an[i].getLabel(),
                   an[i].getDescription(), anot);
+          jaa._linecolour=firstColour;
         }
-        if (autoForView)
+        // register new annotation
+        if (an[i].getId() != null)
         {
-          // register new annotation
-          if (an[i].getId() != null)
-          {
-            annotationIds.put(an[i].getId(), jaa);
-            jaa.annotationId = an[i].getId();
-          }
-          // recover sequence association
-          if (an[i].getSequenceRef() != null)
+          annotationIds.put(an[i].getId(), jaa);
+          jaa.annotationId = an[i].getId();
+        }
+        // recover sequence association
+        if (an[i].getSequenceRef() != null)
+        {
+          if (al.findName(an[i].getSequenceRef()) != null)
           {
-            if (al.findName(an[i].getSequenceRef()) != null)
-            {
-              jaa.createSequenceMapping(
-                      al.findName(an[i].getSequenceRef()), 1, true);
-              al.findName(an[i].getSequenceRef()).addAlignmentAnnotation(
-                      jaa);
-            }
+            jaa.createSequenceMapping(al.findName(an[i].getSequenceRef()),
+                    1, true);
+            al.findName(an[i].getSequenceRef()).addAlignmentAnnotation(jaa);
           }
         }
         // and make a note of any group association
@@ -2264,6 +2392,12 @@ public class Jalview2XML
         {
           jaa.graphHeight = an[i].getGraphHeight();
         }
+        if (an[i].hasBelowAlignment())
+        {
+          jaa.belowAlignment = an[i].isBelowAlignment();
+        }
+        jaa.setCalcId(an[i].getCalcId());
+
         if (jaa.autoCalculated)
         {
           autoAlan.add(new JvAnnotRow(i, jaa));
@@ -2604,7 +2738,7 @@ public class Jalview2XML
               // file }, orig_fileloc, SequenceI[][] {{ seqs_file 1 }, {
               // seqs_file 2}, boolean[] {
               // linkAlignPanel,superposeWithAlignpanel}} from hash
-              Object[] jmoldat = (Object[]) jmolViewIds.get(sviewid);
+              Object[] jmoldat = jmolViewIds.get(sviewid);
               ((boolean[]) jmoldat[3])[0] |= ids[p].getStructureState(s)
                       .hasAlignwithAlignPanel() ? ids[p].getStructureState(
                       s).getAlignwithAlignPanel() : false;
@@ -2627,13 +2761,12 @@ public class Jalview2XML
               }
               if (ids[p].getFile() != null)
               {
-                File mapkey=new File(ids[p].getFile());
+                File mapkey = new File(ids[p].getFile());
                 Object[] seqstrmaps = (Object[]) ((Hashtable) jmoldat[2])
                         .get(mapkey);
                 if (seqstrmaps == null)
                 {
-                  ((Hashtable) jmoldat[2]).put(
-                          mapkey,
+                  ((Hashtable) jmoldat[2]).put(mapkey,
                           seqstrmaps = new Object[]
                           { pdbFile, ids[p].getId(), new Vector(),
                               new Vector() });
@@ -2730,22 +2863,28 @@ public class Jalview2XML
               {
                 newFileLoc = new StringBuffer();
               }
-              newFileLoc.append(state.substring(cp,
-                      ncp = (state.indexOf("\"", ncp + 1) + 1)));
-              String oldfilenam = state.substring(ncp,
-                      ecp = state.indexOf("\"", ncp));
-              // recover the new mapping data for this old filename
-              // have to normalize filename - since Jmol and jalview do filename
-              // translation differently.
-              Object[] filedat = oldFiles.get(new File(oldfilenam));
-              newFileLoc.append(((String) filedat[0]));
-              pdbfilenames.addElement((String) filedat[0]);
-              pdbids.addElement((String) filedat[1]);
-              seqmaps.addElement((SequenceI[]) ((Vector<SequenceI>) filedat[2])
-                      .toArray(new SequenceI[0]));
-              newFileLoc.append("\"");
-              cp = ecp + 1; // advance beyond last \" and set cursor so we can
-                            // look for next file statement.
+              do
+              {
+                // look for next filename in load statement
+                newFileLoc.append(state.substring(cp,
+                        ncp = (state.indexOf("\"", ncp + 1) + 1)));
+                String oldfilenam = state.substring(ncp,
+                        ecp = state.indexOf("\"", ncp));
+                // recover the new mapping data for this old filename
+                // have to normalize filename - since Jmol and jalview do
+                // filename
+                // translation differently.
+                Object[] filedat = oldFiles.get(new File(oldfilenam));
+                newFileLoc.append(Platform
+                        .escapeString((String) filedat[0]));
+                pdbfilenames.addElement((String) filedat[0]);
+                pdbids.addElement((String) filedat[1]);
+                seqmaps.addElement(((Vector<SequenceI>) filedat[2])
+                        .toArray(new SequenceI[0]));
+                newFileLoc.append("\"");
+                cp = ecp + 1; // advance beyond last \" and set cursor so we can
+                              // look for next file statement.
+              } while ((ncp = state.indexOf("/*file*/", cp)) > -1);
             }
             if (cp > 0)
             {
@@ -2767,7 +2906,7 @@ public class Jalview2XML
                 newFileLoc.append(((String) filedat[0]));
                 pdbfilenames.addElement((String) filedat[0]);
                 pdbids.addElement((String) filedat[1]);
-                seqmaps.addElement((SequenceI[]) ((Vector<SequenceI>) filedat[2])
+                seqmaps.addElement(((Vector<SequenceI>) filedat[2])
                         .toArray(new SequenceI[0]));
                 newFileLoc.append(" \"");
                 newFileLoc.append((String) filedat[0]);
@@ -2803,10 +2942,10 @@ public class Jalview2XML
               // TODO: assemble String[] { pdb files }, String[] { id for each
               // file }, orig_fileloc, SequenceI[][] {{ seqs_file 1 }, {
               // seqs_file 2}} from hash
-              final String[] pdbf = (String[]) pdbfilenames
-                      .toArray(new String[pdbfilenames.size()]), id = (String[]) pdbids
+              final String[] pdbf = pdbfilenames
+                      .toArray(new String[pdbfilenames.size()]), id = pdbids
                       .toArray(new String[pdbids.size()]);
-              final SequenceI[][] sq = (SequenceI[][]) seqmaps
+              final SequenceI[][] sq = seqmaps
                       .toArray(new SequenceI[seqmaps.size()][]);
               final String fileloc = newFileLoc.toString(), vid = sviewid;
               final AlignFrame alf = af;
@@ -2816,6 +2955,7 @@ public class Jalview2XML
               {
                 javax.swing.SwingUtilities.invokeAndWait(new Runnable()
                 {
+                  @Override
                   public void run()
                   {
                     AppJmol sview = null;
@@ -2862,30 +3002,29 @@ public class Jalview2XML
               // viewer
               Object[] filedat = oldFiles.get(id);
               String pdbFile = (String) filedat[0];
-              SequenceI[] seq = (SequenceI[]) ((Vector<SequenceI>) filedat[2])
+              SequenceI[] seq = ((Vector<SequenceI>) filedat[2])
                       .toArray(new SequenceI[0]);
-              ((AppJmol) comp).jmb.ssm.setMapping(seq, null, pdbFile,
+              comp.jmb.ssm.setMapping(seq, null, pdbFile,
                       jalview.io.AppletFormatAdapter.FILE);
-              ((AppJmol) comp).jmb.addSequenceForStructFile(pdbFile, seq);
+              comp.jmb.addSequenceForStructFile(pdbFile, seq);
             }
             // and add the AlignmentPanel's reference to the Jmol view
-            ((AppJmol) comp).addAlignmentPanel(ap);
+            comp.addAlignmentPanel(ap);
             if (useinJmolsuperpos)
             {
-              ((AppJmol) comp).useAlignmentPanelForSuperposition(ap);
+              comp.useAlignmentPanelForSuperposition(ap);
             }
             else
             {
-              ((AppJmol) comp).excludeAlignmentPanelForSuperposition(ap);
+              comp.excludeAlignmentPanelForSuperposition(ap);
             }
             if (usetoColourbyseq)
             {
-              ((AppJmol) comp).useAlignmentPanelForColourbyseq(ap,
-                      !jmolColouring);
+              comp.useAlignmentPanelForColourbyseq(ap, !jmolColouring);
             }
             else
             {
-              ((AppJmol) comp).excludeAlignmentPanelForColourbyseq(ap);
+              comp.excludeAlignmentPanelForColourbyseq(ap);
             }
           }
         }
@@ -2908,8 +3047,8 @@ public class Jalview2XML
 
     for (int i = 0; i < JSEQ.length; i++)
     {
-      af.viewport.setSequenceColour(af.viewport.alignment.getSequenceAt(i),
-              new java.awt.Color(JSEQ[i].getColour()));
+      af.viewport.setSequenceColour(af.viewport.getAlignment()
+              .getSequenceAt(i), new java.awt.Color(JSEQ[i].getColour()));
     }
 
     af.viewport.gatherViewsHere = view.getGatheredViews();
@@ -2919,7 +3058,7 @@ public class Jalview2XML
       jalview.gui.AlignViewport av = (jalview.gui.AlignViewport) viewportsAdded
               .get(uniqueSeqSetId);
 
-      af.viewport.sequenceSetID = uniqueSeqSetId;
+      af.viewport.setSequenceSetId(uniqueSeqSetId);
       if (av != null)
       {
         // propagate shared settings to this new view
@@ -3009,18 +3148,18 @@ public class Jalview2XML
       else if (view.getBgColour().startsWith("Annotation"))
       {
         // int find annotation
-        if (af.viewport.alignment.getAlignmentAnnotation() != null)
+        if (af.viewport.getAlignment().getAlignmentAnnotation() != null)
         {
-          for (int i = 0; i < af.viewport.alignment
+          for (int i = 0; i < af.viewport.getAlignment()
                   .getAlignmentAnnotation().length; i++)
           {
-            if (af.viewport.alignment.getAlignmentAnnotation()[i].label
+            if (af.viewport.getAlignment().getAlignmentAnnotation()[i].label
                     .equals(view.getAnnotationColours().getAnnotation()))
             {
-              if (af.viewport.alignment.getAlignmentAnnotation()[i]
+              if (af.viewport.getAlignment().getAlignmentAnnotation()[i]
                       .getThreshold() == null)
               {
-                af.viewport.alignment.getAlignmentAnnotation()[i]
+                af.viewport.getAlignment().getAlignmentAnnotation()[i]
                         .setThreshold(new jalview.datamodel.GraphLine(view
                                 .getAnnotationColours().getThreshold(),
                                 "Threshold", java.awt.Color.black)
@@ -3031,8 +3170,8 @@ public class Jalview2XML
               if (view.getAnnotationColours().getColourScheme()
                       .equals("None"))
               {
-                cs = new AnnotationColourGradient(
-                        af.viewport.alignment.getAlignmentAnnotation()[i],
+                cs = new AnnotationColourGradient(af.viewport
+                        .getAlignment().getAlignmentAnnotation()[i],
                         new java.awt.Color(view.getAnnotationColours()
                                 .getMinColour()), new java.awt.Color(view
                                 .getAnnotationColours().getMaxColour()),
@@ -3041,16 +3180,16 @@ public class Jalview2XML
               else if (view.getAnnotationColours().getColourScheme()
                       .startsWith("ucs"))
               {
-                cs = new AnnotationColourGradient(
-                        af.viewport.alignment.getAlignmentAnnotation()[i],
+                cs = new AnnotationColourGradient(af.viewport
+                        .getAlignment().getAlignmentAnnotation()[i],
                         GetUserColourScheme(jms, view
                                 .getAnnotationColours().getColourScheme()),
                         view.getAnnotationColours().getAboveThreshold());
               }
               else
               {
-                cs = new AnnotationColourGradient(
-                        af.viewport.alignment.getAlignmentAnnotation()[i],
+                cs = new AnnotationColourGradient(af.viewport
+                        .getAlignment().getAlignmentAnnotation()[i],
                         ColourSchemeProperty.getColour(al, view
                                 .getAnnotationColours().getColourScheme()),
                         view.getAnnotationColours().getAboveThreshold());
@@ -3061,8 +3200,8 @@ public class Jalview2XML
               {
                 for (int g = 0; g < al.getGroups().size(); g++)
                 {
-                  jalview.datamodel.SequenceGroup sg = (jalview.datamodel.SequenceGroup) al
-                          .getGroups().elementAt(g);
+                  jalview.datamodel.SequenceGroup sg = al.getGroups()
+                          .get(g);
 
                   if (sg.cs == null)
                   {
@@ -3073,7 +3212,7 @@ public class Jalview2XML
                    * if
                    * (view.getAnnotationColours().getColourScheme().equals("None"
                    * )) { sg.cs = new AnnotationColourGradient(
-                   * af.viewport.alignment.getAlignmentAnnotation()[i], new
+                   * af.viewport.getAlignment().getAlignmentAnnotation()[i], new
                    * java.awt.Color(view.getAnnotationColours().
                    * getMinColour()), new
                    * java.awt.Color(view.getAnnotationColours().
@@ -3081,8 +3220,8 @@ public class Jalview2XML
                    * view.getAnnotationColours().getAboveThreshold()); } else
                    */
                   {
-                    sg.cs = new AnnotationColourGradient(
-                            af.viewport.alignment.getAlignmentAnnotation()[i],
+                    sg.cs = new AnnotationColourGradient(af.viewport
+                            .getAlignment().getAlignmentAnnotation()[i],
                             sg.cs, view.getAnnotationColours()
                                     .getAboveThreshold());
                   }
@@ -3104,7 +3243,7 @@ public class Jalview2XML
       if (cs != null)
       {
         cs.setThreshold(view.getPidThreshold(), true);
-        cs.setConsensus(af.viewport.hconsensus);
+        cs.setConsensus(af.viewport.getSequenceConsensusHash());
       }
     }
 
@@ -3130,8 +3269,8 @@ public class Jalview2XML
     }
     if (view.hasIgnoreGapsinConsensus())
     {
-      af.viewport.ignoreGapsInConsensusCalculation = view
-              .getIgnoreGapsinConsensus();
+      af.viewport.setIgnoreGapsConsensus(view.getIgnoreGapsinConsensus(),
+              null);
     }
     if (view.hasFollowHighlight())
     {
@@ -3152,11 +3291,11 @@ public class Jalview2XML
     }
     if (view.hasShowSequenceLogo())
     {
-      af.viewport.showSequenceLogo = view.getShowSequenceLogo();
+      af.viewport.setShowSequenceLogo(view.getShowSequenceLogo());
     }
     else
     {
-      af.viewport.showSequenceLogo = false;
+      af.viewport.setShowSequenceLogo(false);
     }
     if (view.hasShowDbRefTooltip())
     {
@@ -3257,7 +3396,23 @@ public class Jalview2XML
                 );
       }
     }
-
+    if (view.getCalcIdParam() != null)
+    {
+      for (CalcIdParam calcIdParam : view.getCalcIdParam())
+      {
+        if (calcIdParam != null)
+        {
+          if (recoverCalcIdParam(calcIdParam, af.viewport))
+          {
+          }
+          else
+          {
+            warn("Couldn't recover parameters for "
+                    + calcIdParam.getCalcId());
+          }
+        }
+      }
+    }
     af.setMenusFromViewport(af.viewport);
     // TODO: we don't need to do this if the viewport is aready visible.
     Desktop.addInternalFrame(af, view.getTitle(), view.getWidth(),
@@ -3287,21 +3442,34 @@ public class Jalview2XML
       }
       for (JvAnnotRow auan : autoAlan)
       {
-        visan.put(auan.template.label, auan);
+        visan.put(auan.template.label
+                + (auan.template.getCalcId() == null ? "" : "\t"
+                        + auan.template.getCalcId()), auan);
       }
       int hSize = al.getAlignmentAnnotation().length;
       ArrayList<JvAnnotRow> reorder = new ArrayList<JvAnnotRow>();
+      // work through any autoCalculated annotation already on the view
+      // removing it if it should be placed in a different location on the
+      // annotation panel.
+      List<String> remains = new ArrayList(visan.keySet());
       for (int h = 0; h < hSize; h++)
       {
         jalview.datamodel.AlignmentAnnotation jalan = al
                 .getAlignmentAnnotation()[h];
         if (jalan.autoCalculated)
         {
-          JvAnnotRow valan = visan.get(jalan.label);
+          String k;
+          JvAnnotRow valan = visan.get(k = jalan.label);
+          if (jalan.getCalcId() != null)
+          {
+            valan = visan.get(k = jalan.label + "\t" + jalan.getCalcId());
+          }
+
           if (valan != null)
           {
             // delete the auto calculated row from the alignment
-            al.deleteAnnotation(al.getAlignmentAnnotation()[h], false);
+            al.deleteAnnotation(jalan, false);
+            remains.remove(k);
             hSize--;
             h--;
             if (valan != nullAnnot)
@@ -3323,6 +3491,18 @@ public class Jalview2XML
           }
         }
       }
+      // Add any (possibly stale) autocalculated rows that were not appended to
+      // the view during construction
+      for (String other : remains)
+      {
+        JvAnnotRow othera = visan.get(other);
+        if (othera != nullAnnot && othera.template.getCalcId() != null
+                && othera.template.getCalcId().length() > 0)
+        {
+          reorder.add(othera);
+        }
+      }
+      // now put the automatic annotation in its correct place
       int s = 0, srt[] = new int[reorder.size()];
       JvAnnotRow[] rws = new JvAnnotRow[reorder.size()];
       for (JvAnnotRow jvar : reorder)
@@ -3345,7 +3525,7 @@ public class Jalview2XML
 
   /**
    * TODO remove this method
-   * 
+   *
    * @param view
    * @return AlignFrame bound to sequenceSetId from view, if one exists. private
    *         AlignFrame getSkippedFrame(Viewport view) { if (skipList==null) {
@@ -3356,7 +3536,7 @@ public class Jalview2XML
 
   /**
    * Check if the Jalview view contained in object should be skipped or not.
-   * 
+   *
    * @param object
    * @return true if view's sequenceSetId is a key in skipList
    */
@@ -3429,7 +3609,7 @@ public class Jalview2XML
   }
 
   /**
-   * 
+   *
    * @param vamsasSeq
    *          sequence definition to create/merge dataset sequence for
    * @param ds
@@ -3447,7 +3627,7 @@ public class Jalview2XML
     jalview.datamodel.SequenceI dsq = null;
     if (sq != null && sq.getDatasetSequence() != null)
     {
-      dsq = (jalview.datamodel.SequenceI) sq.getDatasetSequence();
+      dsq = sq.getDatasetSequence();
     }
 
     String sqid = vamsasSeq.getDsseqid();
@@ -3553,7 +3733,7 @@ public class Jalview2XML
 
   /**
    * make a new dataset ID for this jalview dataset alignment
-   * 
+   *
    * @param dataset
    * @return
    */
@@ -3720,11 +3900,11 @@ public class Jalview2XML
     af.closeMenuItem_actionPerformed(true);
 
     /*
-     * if(ap.av.alignment.getAlignmentAnnotation()!=null) { for(int i=0;
-     * i<ap.av.alignment.getAlignmentAnnotation().length; i++) {
-     * if(!ap.av.alignment.getAlignmentAnnotation()[i].autoCalculated) {
-     * af.alignPanel.av.alignment.getAlignmentAnnotation()[i] =
-     * ap.av.alignment.getAlignmentAnnotation()[i]; } } }
+     * if(ap.av.getAlignment().getAlignmentAnnotation()!=null) { for(int i=0;
+     * i<ap.av.getAlignment().getAlignmentAnnotation().length; i++) {
+     * if(!ap.av.getAlignment().getAlignmentAnnotation()[i].autoCalculated) {
+     * af.alignPanel.av.getAlignment().getAlignmentAnnotation()[i] =
+     * ap.av.getAlignment().getAlignmentAnnotation()[i]; } } }
      */
 
     return af.alignPanel;
@@ -3734,15 +3914,16 @@ public class Jalview2XML
    * flag indicating if hashtables should be cleared on finalization TODO this
    * flag may not be necessary
    */
-  private boolean _cleartables = true;
+  private final boolean _cleartables = true;
 
   private Hashtable jvids2vobj;
 
   /*
    * (non-Javadoc)
-   * 
+   *
    * @see java.lang.Object#finalize()
    */
+  @Override
   protected void finalize() throws Throwable
   {
     // really make sure we have no buried refs left.
@@ -3817,13 +3998,13 @@ public class Jalview2XML
    * finalize and clearSeqRefs will not clear the tables when the Jalview2XML
    * object goes out of scope. - also populates the datasetIds hashtable with
    * alignment objects containing dataset sequences
-   * 
+   *
    * @param vobj2jv
    *          Map from ID strings to jalview datamodel
    * @param jv2vobj
    *          Map from jalview datamodel to ID strings
-   * 
-   * 
+   *
+   *
    */
   public void setObjectMappingTables(Hashtable vobj2jv,
           IdentityHashMap jv2vobj)
@@ -3895,7 +4076,7 @@ public class Jalview2XML
    * set the uniqueSetSuffix used to prefix/suffix object IDs for jalview
    * objects created from the project archive. If string is null (default for
    * construction) then suffix will be set automatically.
-   * 
+   *
    * @param string
    */
   public void setUniqueSetSuffix(String string)
@@ -3907,7 +4088,7 @@ public class Jalview2XML
   /**
    * uses skipList2 as the skipList for skipping views on sequence sets
    * associated with keys in the skipList
-   * 
+   *
    * @param skipList2
    */
   public void setSkipList(Hashtable skipList2)