Merge branch 'develop' into trialMerge
[jalview.git] / src / jalview / project / Jalview2XML.java
index 336ea47..09f1675 100644 (file)
  */
 package jalview.project;
 
+import static jalview.math.RotatableMatrix.Axis.X;
+import static jalview.math.RotatableMatrix.Axis.Y;
+import static jalview.math.RotatableMatrix.Axis.Z;
+
 import jalview.analysis.Conservation;
+import jalview.analysis.PCA;
+import jalview.analysis.scoremodels.ScoreModels;
+import jalview.analysis.scoremodels.SimilarityParams;
 import jalview.api.FeatureColourI;
 import jalview.api.ViewStyleI;
+import jalview.api.analysis.ScoreModelI;
+import jalview.api.analysis.SimilarityParamsI;
 import jalview.api.structures.JalviewStructureDisplayI;
 import jalview.bin.Cache;
 import jalview.datamodel.AlignedCodonFrame;
@@ -32,6 +41,7 @@ import jalview.datamodel.AlignmentI;
 import jalview.datamodel.DBRefEntry;
 import jalview.datamodel.GraphLine;
 import jalview.datamodel.PDBEntry;
+import jalview.datamodel.Point;
 import jalview.datamodel.RnaViewerModel;
 import jalview.datamodel.SequenceFeature;
 import jalview.datamodel.SequenceGroup;
@@ -50,18 +60,21 @@ import jalview.gui.AppVarna;
 import jalview.gui.ChimeraViewFrame;
 import jalview.gui.Desktop;
 import jalview.gui.FeatureRenderer;
-import jalview.gui.Jalview2XML_V1;
 import jalview.gui.JvOptionPane;
 import jalview.gui.OOMWarning;
+import jalview.gui.PCAPanel;
 import jalview.gui.PaintRefresher;
 import jalview.gui.SplitFrame;
 import jalview.gui.StructureViewer;
 import jalview.gui.StructureViewer.ViewerType;
 import jalview.gui.StructureViewerBase;
 import jalview.gui.TreePanel;
+import jalview.io.BackupFiles;
 import jalview.io.DataSourceType;
 import jalview.io.FileFormat;
 import jalview.io.NewickFile;
+import jalview.math.Matrix;
+import jalview.math.MatrixI;
 import jalview.renderer.ResidueShaderI;
 import jalview.schemes.AnnotationColourGradient;
 import jalview.schemes.ColourSchemeI;
@@ -78,6 +91,7 @@ import jalview.util.StringUtils;
 import jalview.util.jarInputStreamProvider;
 import jalview.util.matcher.Condition;
 import jalview.viewmodel.AlignmentViewport;
+import jalview.viewmodel.PCAModel;
 import jalview.viewmodel.ViewportRanges;
 import jalview.viewmodel.seqfeatures.FeatureRendererSettings;
 import jalview.viewmodel.seqfeatures.FeaturesDisplayed;
@@ -93,6 +107,8 @@ import jalview.xml.binding.jalview.Annotation;
 import jalview.xml.binding.jalview.Annotation.ThresholdLine;
 import jalview.xml.binding.jalview.AnnotationColourScheme;
 import jalview.xml.binding.jalview.AnnotationElement;
+import jalview.xml.binding.jalview.DoubleMatrix;
+import jalview.xml.binding.jalview.DoubleVector;
 import jalview.xml.binding.jalview.Feature;
 import jalview.xml.binding.jalview.Feature.OtherData;
 import jalview.xml.binding.jalview.FeatureMatcherSet.CompoundMatcher;
@@ -107,6 +123,11 @@ import jalview.xml.binding.jalview.JalviewModel.JSeq.Pdbids;
 import jalview.xml.binding.jalview.JalviewModel.JSeq.Pdbids.StructureState;
 import jalview.xml.binding.jalview.JalviewModel.JSeq.RnaViewer;
 import jalview.xml.binding.jalview.JalviewModel.JSeq.RnaViewer.SecondaryStructure;
+import jalview.xml.binding.jalview.JalviewModel.PcaViewer;
+import jalview.xml.binding.jalview.JalviewModel.PcaViewer.Axis;
+import jalview.xml.binding.jalview.JalviewModel.PcaViewer.SeqPointMax;
+import jalview.xml.binding.jalview.JalviewModel.PcaViewer.SeqPointMin;
+import jalview.xml.binding.jalview.JalviewModel.PcaViewer.SequencePoint;
 import jalview.xml.binding.jalview.JalviewModel.Tree;
 import jalview.xml.binding.jalview.JalviewModel.UserColours;
 import jalview.xml.binding.jalview.JalviewModel.Viewport;
@@ -119,6 +140,7 @@ import jalview.xml.binding.jalview.MapListType.MapListTo;
 import jalview.xml.binding.jalview.Mapping;
 import jalview.xml.binding.jalview.NoValueColour;
 import jalview.xml.binding.jalview.ObjectFactory;
+import jalview.xml.binding.jalview.PcaDataType;
 import jalview.xml.binding.jalview.Pdbentry.Property;
 import jalview.xml.binding.jalview.Sequence;
 import jalview.xml.binding.jalview.Sequence.DBRef;
@@ -215,6 +237,12 @@ public class Jalview2XML
 
   private static final String UTF_8 = "UTF-8";
 
+  /**
+   * prefix for recovering datasets for alignments with multiple views where
+   * non-existent dataset IDs were written for some views
+   */
+  private static final String UNIQSEQSETID = "uniqueSeqSetId.";
+
   // use this with nextCounter() to make unique names for entities
   private int counter = 0;
 
@@ -546,24 +574,30 @@ public class Jalview2XML
   public void saveState(File statefile)
   {
     FileOutputStream fos = null;
+
     try
     {
+
       fos = new FileOutputStream(statefile);
+
       JarOutputStream jout = new JarOutputStream(fos);
       saveState(jout);
+      fos.close();
 
     } catch (Exception e)
     {
+      Cache.log.error("Couln't write Jalview state to " + statefile, e);
       // TODO: inform user of the problem - they need to know if their data was
       // not saved !
       if (errorMessage == null)
       {
-        errorMessage = "Couldn't write Jalview Archive to output file '"
+        errorMessage = "Did't write Jalview Archive to output file '"
                 + statefile + "' - See console error log for details";
       }
       else
       {
-        errorMessage += "(output file was '" + statefile + "')";
+        errorMessage += "(Didn't write Jalview Archive to output file '"
+                + statefile + ")";
       }
       e.printStackTrace();
     } finally
@@ -733,7 +767,11 @@ public class Jalview2XML
   {
     try
     {
-      FileOutputStream fos = new FileOutputStream(jarFile);
+      // create backupfiles object and get new temp filename destination
+      BackupFiles backupfiles = new BackupFiles(jarFile);
+      FileOutputStream fos = new FileOutputStream(
+              backupfiles.getTempFilePath());
+
       JarOutputStream jout = new JarOutputStream(fos);
       List<AlignFrame> frames = new ArrayList<>();
 
@@ -755,7 +793,12 @@ public class Jalview2XML
       }
       ;
       jout.close();
-      return true;
+      boolean success = true;
+
+      backupfiles.setWriteSuccess(success);
+      success = backupfiles.rollBackupsAndRenameTempFile();
+
+      return success;
     } catch (Exception ex)
     {
       errorMessage = "Couldn't Write alignment view to Jalview Archive - see error output for details";
@@ -1232,6 +1275,9 @@ public class Jalview2XML
               tree.setXpos(tp.getX());
               tree.setYpos(tp.getY());
               tree.setId(makeHashCode(tp, null));
+              tree.setLinkToAllViews(
+                      tp.getTreeCanvas().isApplyToAllViews());
+
               // jms.addTree(tree);
               object.getTree().add(tree);
             }
@@ -1240,6 +1286,24 @@ public class Jalview2XML
       }
     }
 
+    /*
+     * save PCA viewers
+     */
+    if (!storeDS && Desktop.desktop != null)
+    {
+      for (JInternalFrame frame : Desktop.desktop.getAllFrames())
+      {
+        if (frame instanceof PCAPanel)
+        {
+          PCAPanel panel = (PCAPanel) frame;
+          if (panel.getAlignViewport().getAlignment() == jal)
+          {
+            savePCA(panel, object);
+          }
+        }
+      }
+    }
+
     // SAVE ANNOTATIONS
     /**
      * store forward refs from an annotationRow to any groups
@@ -1648,6 +1712,196 @@ public class Jalview2XML
   }
 
   /**
+   * Writes PCA viewer attributes and computed values to an XML model object and
+   * adds it to the JalviewModel. Any exceptions are reported by logging.
+   */
+  protected void savePCA(PCAPanel panel, JalviewModel object)
+  {
+    try
+    {
+      PcaViewer viewer = new PcaViewer();
+      viewer.setHeight(panel.getHeight());
+      viewer.setWidth(panel.getWidth());
+      viewer.setXpos(panel.getX());
+      viewer.setYpos(panel.getY());
+      viewer.setTitle(panel.getTitle());
+      PCAModel pcaModel = panel.getPcaModel();
+      viewer.setScoreModelName(pcaModel.getScoreModelName());
+      viewer.setXDim(panel.getSelectedDimensionIndex(X));
+      viewer.setYDim(panel.getSelectedDimensionIndex(Y));
+      viewer.setZDim(panel.getSelectedDimensionIndex(Z));
+      viewer.setBgColour(
+              panel.getRotatableCanvas().getBackgroundColour().getRGB());
+      viewer.setScaleFactor(panel.getRotatableCanvas().getScaleFactor());
+      float[] spMin = panel.getRotatableCanvas().getSeqMin();
+      SeqPointMin spmin = new SeqPointMin();
+      spmin.setXPos(spMin[0]);
+      spmin.setYPos(spMin[1]);
+      spmin.setZPos(spMin[2]);
+      viewer.setSeqPointMin(spmin);
+      float[] spMax = panel.getRotatableCanvas().getSeqMax();
+      SeqPointMax spmax = new SeqPointMax();
+      spmax.setXPos(spMax[0]);
+      spmax.setYPos(spMax[1]);
+      spmax.setZPos(spMax[2]);
+      viewer.setSeqPointMax(spmax);
+      viewer.setShowLabels(panel.getRotatableCanvas().isShowLabels());
+      viewer.setLinkToAllViews(
+              panel.getRotatableCanvas().isApplyToAllViews());
+      SimilarityParamsI sp = pcaModel.getSimilarityParameters();
+      viewer.setIncludeGaps(sp.includeGaps());
+      viewer.setMatchGaps(sp.matchGaps());
+      viewer.setIncludeGappedColumns(sp.includeGappedColumns());
+      viewer.setDenominateByShortestLength(sp.denominateByShortestLength());
+
+      /*
+       * sequence points on display
+       */
+      for (jalview.datamodel.SequencePoint spt : pcaModel
+              .getSequencePoints())
+      {
+        SequencePoint point = new SequencePoint();
+        point.setSequenceRef(seqHash(spt.getSequence()));
+        point.setXPos(spt.coord.x);
+        point.setYPos(spt.coord.y);
+        point.setZPos(spt.coord.z);
+        viewer.getSequencePoint().add(point);
+      }
+
+      /*
+       * (end points of) axes on display
+       */
+      for (Point p : panel.getRotatableCanvas().getAxisEndPoints())
+      {
+
+        Axis axis = new Axis();
+        axis.setXPos(p.x);
+        axis.setYPos(p.y);
+        axis.setZPos(p.z);
+        viewer.getAxis().add(axis);
+      }
+
+      /*
+       * raw PCA data (note we are not restoring PCA inputs here -
+       * alignment view, score model, similarity parameters)
+       */
+      PcaDataType data = new PcaDataType();
+      viewer.setPcaData(data);
+      PCA pca = pcaModel.getPcaData();
+
+      DoubleMatrix pm = new DoubleMatrix();
+      saveDoubleMatrix(pca.getPairwiseScores(), pm);
+      data.setPairwiseMatrix(pm);
+
+      DoubleMatrix tm = new DoubleMatrix();
+      saveDoubleMatrix(pca.getTridiagonal(), tm);
+      data.setTridiagonalMatrix(tm);
+
+      DoubleMatrix eigenMatrix = new DoubleMatrix();
+      data.setEigenMatrix(eigenMatrix);
+      saveDoubleMatrix(pca.getEigenmatrix(), eigenMatrix);
+
+      object.getPcaViewer().add(viewer);
+    } catch (Throwable t)
+    {
+      Cache.log.error("Error saving PCA: " + t.getMessage());
+    }
+  }
+
+  /**
+   * Stores values from a matrix into an XML element, including (if present) the
+   * D or E vectors
+   * 
+   * @param m
+   * @param xmlMatrix
+   * @see #loadDoubleMatrix(DoubleMatrix)
+   */
+  protected void saveDoubleMatrix(MatrixI m, DoubleMatrix xmlMatrix)
+  {
+    xmlMatrix.setRows(m.height());
+    xmlMatrix.setColumns(m.width());
+    for (int i = 0; i < m.height(); i++)
+    {
+      DoubleVector row = new DoubleVector();
+      for (int j = 0; j < m.width(); j++)
+      {
+        row.getV().add(m.getValue(i, j));
+      }
+      xmlMatrix.getRow().add(row);
+    }
+    if (m.getD() != null)
+    {
+      DoubleVector dVector = new DoubleVector();
+      for (double d : m.getD())
+      {
+        dVector.getV().add(d);
+      }
+      xmlMatrix.setD(dVector);
+    }
+    if (m.getE() != null)
+    {
+      DoubleVector eVector = new DoubleVector();
+      for (double e : m.getE())
+      {
+        eVector.getV().add(e);
+      }
+      xmlMatrix.setE(eVector);
+    }
+  }
+
+  /**
+   * Loads XML matrix data into a new Matrix object, including the D and/or E
+   * vectors (if present)
+   * 
+   * @param mData
+   * @return
+   * @see Jalview2XML#saveDoubleMatrix(MatrixI, DoubleMatrix)
+   */
+  protected MatrixI loadDoubleMatrix(DoubleMatrix mData)
+  {
+    int rows = mData.getRows();
+    double[][] vals = new double[rows][];
+
+    for (int i = 0; i < rows; i++)
+    {
+      List<Double> dVector = mData.getRow().get(i).getV();
+      vals[i] = new double[dVector.size()];
+      int dvi = 0;
+      for (Double d : dVector)
+      {
+        vals[i][dvi++] = d;
+      }
+    }
+
+    MatrixI m = new Matrix(vals);
+
+    if (mData.getD() != null)
+    {
+      List<Double> dVector = mData.getD().getV();
+      double[] vec = new double[dVector.size()];
+      int dvi = 0;
+      for (Double d : dVector)
+      {
+        vec[dvi++] = d;
+      }
+      m.setD(vec);
+    }
+    if (mData.getE() != null)
+    {
+      List<Double> dVector = mData.getE().getV();
+      double[] vec = new double[dVector.size()];
+      int dvi = 0;
+      for (Double d : dVector)
+      {
+        vec[dvi++] = d;
+      }
+      m.setE(vec);
+    }
+
+    return m;
+  }
+
+  /**
    * Save any Varna viewers linked to this sequence. Writes an rnaViewer element
    * for each viewer, with
    * <ul>
@@ -2669,16 +2923,7 @@ public class Jalview2XML
       ex.printStackTrace(System.err);
       if (attemptversion1parse)
       {
-        // Is Version 1 Jar file?
-        try
-        {
-          af = new Jalview2XML_V1(raiseGUI).LoadJalviewAlign(jprovider);
-        } catch (Exception ex2)
-        {
-          System.err.println("Exception whilst loading as jalviewXMLV1:");
-          ex2.printStackTrace();
-          af = null;
-        }
+        // used to attempt to parse as V1 castor-generated xml
       }
       if (Desktop.instance != null)
       {
@@ -3056,6 +3301,28 @@ public class Jalview2XML
             : null;
 
     // ////////////////////////////////
+    // INITIALISE ALIGNMENT SEQUENCESETID AND VIEWID
+    //
+    //
+    // If we just load in the same jar file again, the sequenceSetId
+    // will be the same, and we end up with multiple references
+    // to the same sequenceSet. We must modify this id on load
+    // so that each load of the file gives a unique id
+
+    /**
+     * used to resolve correct alignment dataset for alignments with multiple
+     * views
+     */
+    String uniqueSeqSetId = null;
+    String viewId = null;
+    if (view != null)
+    {
+      uniqueSeqSetId = view.getSequenceSetId() + uniqueSetSuffix;
+      viewId = (view.getId() == null ? null
+              : view.getId() + uniqueSetSuffix);
+    }
+
+    // ////////////////////////////////
     // LOAD SEQUENCES
 
     List<SequenceI> hiddenSeqs = null;
@@ -3176,7 +3443,7 @@ public class Jalview2XML
 
       // finally, verify all data in vamsasSet is actually present in al
       // passing on flag indicating if it is actually a stored dataset
-      recoverDatasetFor(vamsasSet, al, isdsal);
+      recoverDatasetFor(vamsasSet, al, isdsal, uniqueSeqSetId);
     }
 
     if (referenceseqForView != null)
@@ -3618,7 +3885,7 @@ public class Jalview2XML
           }
           else
           {
-            cs = ColourSchemeProperty.getColourScheme(al,
+            cs = ColourSchemeProperty.getColourScheme(null, al,
                     jGroup.getColour());
           }
         }
@@ -3716,13 +3983,6 @@ public class Jalview2XML
     // ///////////////////////////////
     // LOAD VIEWPORT
 
-    // If we just load in the same jar file again, the sequenceSetId
-    // will be the same, and we end up with multiple references
-    // to the same sequenceSet. We must modify this id on load
-    // so that each load of the file gives a unique id
-    String uniqueSeqSetId = view.getSequenceSetId() + uniqueSetSuffix;
-    String viewId = (view.getId() == null ? null
-            : view.getId() + uniqueSetSuffix);
     AlignFrame af = null;
     AlignViewport av = null;
     // now check to see if we really need to create a new viewport.
@@ -3804,6 +4064,7 @@ public class Jalview2XML
     if (loadTreesAndStructures)
     {
       loadTrees(jalviewModel, view, af, av, ap);
+      loadPCAViewers(jalviewModel, ap);
       loadPDBStructures(jprovider, jseqs, af, ap);
       loadRnaViewers(jprovider, jseqs, ap);
     }
@@ -3952,6 +4213,8 @@ public class Jalview2XML
           // TODO: verify 'associate with all views' works still
           tp.getTreeCanvas().setViewport(av); // af.viewport;
           tp.getTreeCanvas().setAssociatedPanel(ap); // af.alignPanel;
+          // FIXME: should we use safeBoolean here ?
+          tp.getTreeCanvas().setApplyToAllViews(tree.isLinkToAllViews());
 
         }
         if (tp == null)
@@ -4747,25 +5010,27 @@ public class Jalview2XML
       }
       else
       {
-        cs = ColourSchemeProperty.getColourScheme(al, view.getBgColour());
+        cs = ColourSchemeProperty.getColourScheme(af.getViewport(), al,
+                view.getBgColour());
       }
     }
 
+    /*
+     * turn off 'alignment colour applies to all groups'
+     * while restoring global colour scheme
+     */
+    viewport.setColourAppliesToAllGroups(false);
     viewport.setGlobalColourScheme(cs);
     viewport.getResidueShading().setThreshold(pidThreshold,
             view.isIgnoreGapsinConsensus());
     viewport.getResidueShading()
             .setConsensus(viewport.getSequenceConsensusHash());
-    viewport.setColourAppliesToAllGroups(false);
-
     if (safeBoolean(view.isConservationSelected()) && cs != null)
     {
       viewport.getResidueShading()
               .setConservationInc(safeInt(view.getConsThreshold()));
     }
-
     af.changeColour(cs);
-
     viewport.setColourAppliesToAllGroups(true);
 
     viewport
@@ -4841,7 +5106,8 @@ public class Jalview2XML
           float min = safeFloat(safeFloat(setting.getMin()));
           float max = setting.getMax() == null ? 1f
                   : setting.getMax().floatValue();
-          FeatureColourI gc = new FeatureColour(minColour, maxColour,
+          FeatureColourI gc = new FeatureColour(maxColour, minColour,
+                  maxColour,
                   noValueColour, min, max);
           if (setting.getAttributeName().size() > 0)
           {
@@ -5043,7 +5309,7 @@ public class Jalview2XML
     else
     {
       cs = new AnnotationColourGradient(matchedAnnotation,
-              ColourSchemeProperty.getColourScheme(al,
+              ColourSchemeProperty.getColourScheme(af.getViewport(), al,
                       viewAnnColour.getColourScheme()),
               safeInt(viewAnnColour.getAboveThreshold()));
     }
@@ -5232,13 +5498,51 @@ public class Jalview2XML
   }
 
   private void recoverDatasetFor(SequenceSet vamsasSet, AlignmentI al,
-          boolean ignoreUnrefed)
+          boolean ignoreUnrefed, String uniqueSeqSetId)
   {
     jalview.datamodel.AlignmentI ds = getDatasetFor(
             vamsasSet.getDatasetId());
+    AlignmentI xtant_ds = ds;
+    if (xtant_ds == null)
+    {
+      // good chance we are about to create a new dataset, but check if we've
+      // seen some of the dataset sequence IDs before.
+      // TODO: skip this check if we are working with project generated by
+      // version 2.11 or later
+      xtant_ds = checkIfHasDataset(vamsasSet.getSequence());
+      if (xtant_ds != null)
+      {
+        ds = xtant_ds;
+        addDatasetRef(vamsasSet.getDatasetId(), ds);
+      }
+    }
     Vector dseqs = null;
+    if (!ignoreUnrefed)
+    {
+      // recovering an alignment View
+      AlignmentI seqSetDS = getDatasetFor(UNIQSEQSETID + uniqueSeqSetId);
+      if (seqSetDS != null)
+      {
+        if (ds != null && ds != seqSetDS)
+        {
+          warn("JAL-3171 regression: Overwriting a dataset reference for an alignment"
+                  + " - CDS/Protein crossreference data may be lost");
+          if (xtant_ds != null)
+          {
+            // This can only happen if the unique sequence set ID was bound to a
+            // dataset that did not contain any of the sequences in the view
+            // currently being restored.
+            warn("JAL-3171 SERIOUS!  TOTAL CONFUSION - please consider contacting the Jalview Development team so they can investigate why your project caused this message to be displayed.");
+          }
+        }
+        ds = seqSetDS;
+        addDatasetRef(vamsasSet.getDatasetId(), ds);
+      }
+    }
     if (ds == null)
     {
+      // try even harder to restore dataset
+      AlignmentI xtantDS = checkIfHasDataset(vamsasSet.getSequence());
       // create a list of new dataset sequences
       dseqs = new Vector();
     }
@@ -5261,10 +5565,58 @@ public class Jalview2XML
     if (al.getDataset() == null && !ignoreUnrefed)
     {
       al.setDataset(ds);
+      // register dataset for the alignment's uniqueSeqSetId for legacy projects
+      addDatasetRef(UNIQSEQSETID + uniqueSeqSetId, ds);
     }
+    updateSeqDatasetBinding(vamsasSet.getSequence(), ds);
   }
 
   /**
+   * XML dataset sequence ID to materialised dataset reference
+   */
+  HashMap<String, AlignmentI> seqToDataset = new HashMap<>();
+
+  /**
+   * @return the first materialised dataset reference containing a dataset
+   *         sequence referenced in the given view
+   * @param list
+   *          - sequences from the view
+   */
+  AlignmentI checkIfHasDataset(List<Sequence> list)
+  {
+    for (Sequence restoredSeq : list)
+    {
+      AlignmentI datasetFor = seqToDataset.get(restoredSeq.getDsseqid());
+      if (datasetFor != null)
+      {
+        return datasetFor;
+      }
+    }
+    return null;
+  }
+
+  /**
+   * Register ds as the containing dataset for the dataset sequences referenced
+   * by sequences in list
+   * 
+   * @param list
+   *          - sequences in a view
+   * @param ds
+   */
+  void updateSeqDatasetBinding(List<Sequence> list, AlignmentI ds)
+  {
+    for (Sequence restoredSeq : list)
+    {
+      AlignmentI prevDS = seqToDataset.put(restoredSeq.getDsseqid(), ds);
+      if (prevDS != null && prevDS != ds)
+      {
+        warn("Dataset sequence appears in many datasets: "
+                + restoredSeq.getDsseqid());
+        // TODO: try to merge!
+      }
+    }
+  }
+  /**
    * 
    * @param vamsasSeq
    *          sequence definition to create/merge dataset sequence for
@@ -5523,15 +5875,16 @@ public class Jalview2XML
     jalview.datamodel.Mapping jmap = new jalview.datamodel.Mapping(dsto, fr,
             fto, m.getMapFromUnit().intValue(),
             m.getMapToUnit().intValue());
-    // if (m.getMappingChoice() != null)
-    // {
-    // MappingChoice mc = m.getMappingChoice();
+
+    /*
+     * (optional) choice of dseqFor or Sequence
+     */
     if (m.getDseqFor() != null)
     {
       String dsfor = m.getDseqFor();
       if (seqRefIds.containsKey(dsfor))
       {
-        /**
+        /*
          * recover from hash
          */
         jmap.setTo(seqRefIds.get(dsfor));
@@ -5541,9 +5894,9 @@ public class Jalview2XML
         frefedSequence.add(newMappingRef(dsfor, jmap));
       }
     }
-    else
+    else if (m.getSequence() != null)
     {
-      /**
+      /*
        * local sequence definition
        */
       Sequence ms = m.getSequence();
@@ -5600,6 +5953,10 @@ public class Jalview2XML
     initSeqRefs();
     JalviewModel jm = saveState(ap, null, null, null);
 
+    addDatasetRef(
+            jm.getVamsasModel().getSequenceSet().get(0).getDatasetId(),
+            ap.getAlignment().getDataset());
+
     uniqueSetSuffix = "";
     // jm.getJalviewModelSequence().getViewport(0).setId(null);
     jm.getViewport().get(0).setId(null);
@@ -5861,6 +6218,128 @@ public class Jalview2XML
   }
 
   /**
+   * Loads any saved PCA viewers
+   * 
+   * @param jms
+   * @param ap
+   */
+  protected void loadPCAViewers(JalviewModel model, AlignmentPanel ap)
+  {
+    try
+    {
+      List<PcaViewer> pcaviewers = model.getPcaViewer();
+      for (PcaViewer viewer : pcaviewers)
+      {
+        String modelName = viewer.getScoreModelName();
+        SimilarityParamsI params = new SimilarityParams(
+                viewer.isIncludeGappedColumns(), viewer.isMatchGaps(),
+                viewer.isIncludeGaps(),
+                viewer.isDenominateByShortestLength());
+
+        /*
+         * create the panel (without computing the PCA)
+         */
+        PCAPanel panel = new PCAPanel(ap, modelName, params);
+
+        panel.setTitle(viewer.getTitle());
+        panel.setBounds(new Rectangle(viewer.getXpos(), viewer.getYpos(),
+                viewer.getWidth(), viewer.getHeight()));
+
+        boolean showLabels = viewer.isShowLabels();
+        panel.setShowLabels(showLabels);
+        panel.getRotatableCanvas().setShowLabels(showLabels);
+        panel.getRotatableCanvas()
+                .setBgColour(new Color(viewer.getBgColour()));
+        panel.getRotatableCanvas()
+                .setApplyToAllViews(viewer.isLinkToAllViews());
+
+        /*
+         * load PCA output data
+         */
+        ScoreModelI scoreModel = ScoreModels.getInstance()
+                .getScoreModel(modelName, ap);
+        PCA pca = new PCA(null, scoreModel, params);
+        PcaDataType pcaData = viewer.getPcaData();
+
+        MatrixI pairwise = loadDoubleMatrix(pcaData.getPairwiseMatrix());
+        pca.setPairwiseScores(pairwise);
+
+        MatrixI triDiag = loadDoubleMatrix(pcaData.getTridiagonalMatrix());
+        pca.setTridiagonal(triDiag);
+
+        MatrixI result = loadDoubleMatrix(pcaData.getEigenMatrix());
+        pca.setEigenmatrix(result);
+
+        panel.getPcaModel().setPCA(pca);
+
+        /*
+         * we haven't saved the input data! (JAL-2647 to do)
+         */
+        panel.setInputData(null);
+
+        /*
+         * add the sequence points for the PCA display
+         */
+        List<jalview.datamodel.SequencePoint> seqPoints = new ArrayList<>();
+        for (SequencePoint sp : viewer.getSequencePoint())
+        {
+          String seqId = sp.getSequenceRef();
+          SequenceI seq = seqRefIds.get(seqId);
+          if (seq == null)
+          {
+            throw new IllegalStateException(
+                    "Unmatched seqref for PCA: " + seqId);
+          }
+          Point pt = new Point(sp.getXPos(), sp.getYPos(), sp.getZPos());
+          jalview.datamodel.SequencePoint seqPoint = new jalview.datamodel.SequencePoint(
+                  seq, pt);
+          seqPoints.add(seqPoint);
+        }
+        panel.getRotatableCanvas().setPoints(seqPoints, seqPoints.size());
+
+        /*
+         * set min-max ranges and scale after setPoints (which recomputes them)
+         */
+        panel.getRotatableCanvas().setScaleFactor(viewer.getScaleFactor());
+        SeqPointMin spMin = viewer.getSeqPointMin();
+        float[] min = new float[] { spMin.getXPos(), spMin.getYPos(),
+            spMin.getZPos() };
+        SeqPointMax spMax = viewer.getSeqPointMax();
+        float[] max = new float[] { spMax.getXPos(), spMax.getYPos(),
+            spMax.getZPos() };
+        panel.getRotatableCanvas().setSeqMinMax(min, max);
+
+        // todo: hold points list in PCAModel only
+        panel.getPcaModel().setSequencePoints(seqPoints);
+
+        panel.setSelectedDimensionIndex(viewer.getXDim(), X);
+        panel.setSelectedDimensionIndex(viewer.getYDim(), Y);
+        panel.setSelectedDimensionIndex(viewer.getZDim(), Z);
+
+        // is this duplication needed?
+        panel.setTop(seqPoints.size() - 1);
+        panel.getPcaModel().setTop(seqPoints.size() - 1);
+
+        /*
+         * add the axes' end points for the display
+         */
+        for (int i = 0; i < 3; i++)
+        {
+          Axis axis = viewer.getAxis().get(i);
+          panel.getRotatableCanvas().getAxisEndPoints()[i] = new Point(
+                  axis.getXPos(), axis.getYPos(), axis.getZPos());
+        }
+
+        Desktop.addInternalFrame(panel, MessageManager.formatMessage(
+                "label.calc_title", "PCA", modelName), 475, 450);
+      }
+    } catch (Exception ex)
+    {
+      Cache.log.error("Error loading PCA: " + ex.toString());
+    }
+  }
+
+  /**
    * Populates an XML model of the feature colour scheme for one feature type
    * 
    * @param featureType
@@ -6123,7 +6602,7 @@ public class Jalview2XML
         noValueColour = maxcol;
       }
   
-      colour = new FeatureColour(mincol, maxcol, noValueColour,
+      colour = new FeatureColour(maxcol, mincol, maxcol, noValueColour,
               safeFloat(colourModel.getMin()),
               safeFloat(colourModel.getMax()));
       final List<String> attributeName = colourModel.getAttributeName();